smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1C ZINC000159723614 186137417 /nfs/dbraw/zinc/13/74/17/186137417.db2.gz QUZSIKMGELQKJD-UHFFFAOYSA-N 1 2 315.373 2.587 20 70 DFIDLO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1C ZINC000159723614 186137418 /nfs/dbraw/zinc/13/74/18/186137418.db2.gz QUZSIKMGELQKJD-UHFFFAOYSA-N 1 2 315.373 2.587 20 70 DFIDLO CCCc1nnc(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)s1 ZINC000160106234 197386261 /nfs/dbraw/zinc/38/62/61/197386261.db2.gz IHGWCTDADSZHKA-ZDUSSCGKSA-N 1 2 317.462 2.769 20 70 DFIDLO CS[C@@H](C)CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000160065463 197383999 /nfs/dbraw/zinc/38/39/99/197383999.db2.gz QBIWIYLEALXOPU-ZDUSSCGKSA-N 1 2 307.463 2.830 20 70 DFIDLO O=C(Nc1c(F)cccc1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159909739 197372965 /nfs/dbraw/zinc/37/29/65/197372965.db2.gz OOJJNQZSBGJWEA-NSHDSACASA-N 1 2 318.327 2.760 20 70 DFIDLO CCC[N@H+](CC(=O)N(C)C)Cc1ncc(-c2ccccc2F)o1 ZINC000159497689 197357824 /nfs/dbraw/zinc/35/78/24/197357824.db2.gz NNZSJVYZQHKDEZ-UHFFFAOYSA-N 1 2 319.380 2.781 20 70 DFIDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ncc(-c2ccccc2F)o1 ZINC000159497689 197357826 /nfs/dbraw/zinc/35/78/26/197357826.db2.gz NNZSJVYZQHKDEZ-UHFFFAOYSA-N 1 2 319.380 2.781 20 70 DFIDLO COc1ccc(N(C)C(=O)CCCn2cc[nH+]c2)cc1Cl ZINC000160026142 542721167 /nfs/dbraw/zinc/72/11/67/542721167.db2.gz KMAOPNIAGORDMK-UHFFFAOYSA-N 1 2 307.781 2.988 20 70 DFIDLO CCOCCC1(C(=O)NCCc2cn3ccccc3[nH+]2)CCC1 ZINC000161484523 267548393 /nfs/dbraw/zinc/54/83/93/267548393.db2.gz WCKZTXQAVVNWCX-UHFFFAOYSA-N 1 2 315.417 2.590 20 70 DFIDLO O=C(/C=C\c1ccccc1Br)NCc1[nH]cc[nH+]1 ZINC000216998108 268138756 /nfs/dbraw/zinc/13/87/56/268138756.db2.gz NSXMEVZJDUFGPB-WAYWQWQTSA-N 1 2 306.163 2.502 20 70 DFIDLO CC[C@H](C)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160430310 425983377 /nfs/dbraw/zinc/98/33/77/425983377.db2.gz GDFNKSYTRBJJIK-HOTGVXAUSA-N 1 2 318.465 2.734 20 70 DFIDLO C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)[C@@H]1C ZINC000160605226 425989505 /nfs/dbraw/zinc/98/95/05/425989505.db2.gz PJRUFSLIDBGEKU-BREBYQMCSA-N 1 2 311.223 2.706 20 70 DFIDLO C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)[C@@H]1C ZINC000160605226 425989510 /nfs/dbraw/zinc/98/95/10/425989510.db2.gz PJRUFSLIDBGEKU-BREBYQMCSA-N 1 2 311.223 2.706 20 70 DFIDLO CC[C@H](C)OCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000160645712 425991126 /nfs/dbraw/zinc/99/11/26/425991126.db2.gz IVAGWLQPBNPXHM-AWEZNQCLSA-N 1 2 317.389 2.716 20 70 DFIDLO Clc1cccc(-c2cnc(C[N@@H+]3CCC4(C3)OCCO4)o2)c1 ZINC000160682978 425992112 /nfs/dbraw/zinc/99/21/12/425992112.db2.gz QFNDHLBMAXQLSF-UHFFFAOYSA-N 1 2 320.776 2.944 20 70 DFIDLO Clc1cccc(-c2cnc(C[N@H+]3CCC4(C3)OCCO4)o2)c1 ZINC000160682978 425992115 /nfs/dbraw/zinc/99/21/15/425992115.db2.gz QFNDHLBMAXQLSF-UHFFFAOYSA-N 1 2 320.776 2.944 20 70 DFIDLO CCc1ccccc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160734332 425994448 /nfs/dbraw/zinc/99/44/48/425994448.db2.gz XYLMTAMSCOSFHN-UHFFFAOYSA-N 1 2 309.413 2.602 20 70 DFIDLO O=C(NCc1cccc2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000159391389 425959030 /nfs/dbraw/zinc/95/90/30/425959030.db2.gz WYECMXMILFXOTR-HNNXBMFYSA-N 1 2 305.381 2.915 20 70 DFIDLO CCN(C(=O)C[N@H+](C)C1(C(=O)OC)CCCC1)C1CCCCC1 ZINC000159449621 425960336 /nfs/dbraw/zinc/96/03/36/425960336.db2.gz JFQBUWYDSDMANO-UHFFFAOYSA-N 1 2 324.465 2.585 20 70 DFIDLO CCN(C(=O)C[N@@H+](C)C1(C(=O)OC)CCCC1)C1CCCCC1 ZINC000159449621 425960338 /nfs/dbraw/zinc/96/03/38/425960338.db2.gz JFQBUWYDSDMANO-UHFFFAOYSA-N 1 2 324.465 2.585 20 70 DFIDLO Cc1cccc(-c2noc(CSCC[NH+]3CCOCC3)n2)c1 ZINC000159989267 425971913 /nfs/dbraw/zinc/97/19/13/425971913.db2.gz YXNPMCIZEBCMFM-UHFFFAOYSA-N 1 2 319.430 2.610 20 70 DFIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000160056408 425974193 /nfs/dbraw/zinc/97/41/93/425974193.db2.gz XOIRSNVKMSRFDH-AWEZNQCLSA-N 1 2 307.438 2.814 20 70 DFIDLO O=C(Nc1cccc(N2CCCC2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160112963 425974571 /nfs/dbraw/zinc/97/45/71/425974571.db2.gz BLRKJDNUJFLAHO-AWEZNQCLSA-N 1 2 310.401 2.684 20 70 DFIDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160122928 425975144 /nfs/dbraw/zinc/97/51/44/425975144.db2.gz UHJGJCHMTRPCEF-CQSZACIVSA-N 1 2 324.384 2.767 20 70 DFIDLO Cc1cc(NCc2nnc(C3CC3)n2C2CC2)c(C#N)c(C)[nH+]1 ZINC000160327120 425978944 /nfs/dbraw/zinc/97/89/44/425978944.db2.gz XDDMPQGUMKKTMY-UHFFFAOYSA-N 1 2 308.389 2.986 20 70 DFIDLO O[C@H](C[NH+]1CCN(c2cccs2)CC1)c1c(F)cccc1F ZINC000160322499 425979104 /nfs/dbraw/zinc/97/91/04/425979104.db2.gz PZPHCMPZMMTELT-CQSZACIVSA-N 1 2 324.396 2.882 20 70 DFIDLO Cc1cc(-c2nnc(C[N@H+](C)C[C@@H]3CCCCO3)o2)c(C)o1 ZINC000161449528 426023970 /nfs/dbraw/zinc/02/39/70/426023970.db2.gz VGOBCIQUTYDFFE-ZDUSSCGKSA-N 1 2 305.378 2.947 20 70 DFIDLO Cc1cc(-c2nnc(C[N@@H+](C)C[C@@H]3CCCCO3)o2)c(C)o1 ZINC000161449528 426023973 /nfs/dbraw/zinc/02/39/73/426023973.db2.gz VGOBCIQUTYDFFE-ZDUSSCGKSA-N 1 2 305.378 2.947 20 70 DFIDLO CC(C)c1nc(N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc[nH+]1 ZINC000161497213 426026156 /nfs/dbraw/zinc/02/61/56/426026156.db2.gz WTYCTHAKYGDEPA-SNVBAGLBSA-N 1 2 316.327 2.565 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000161143623 426009798 /nfs/dbraw/zinc/00/97/98/426009798.db2.gz YUYROWAGRXIWLC-GOSISDBHSA-N 1 2 309.413 2.923 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000161143623 426009801 /nfs/dbraw/zinc/00/98/01/426009801.db2.gz YUYROWAGRXIWLC-GOSISDBHSA-N 1 2 309.413 2.923 20 70 DFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000161169449 426011681 /nfs/dbraw/zinc/01/16/81/426011681.db2.gz BAZQECZLWYRHGX-UHFFFAOYSA-N 1 2 318.320 2.554 20 70 DFIDLO CCc1nnc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)[nH]1 ZINC000161241520 426014774 /nfs/dbraw/zinc/01/47/74/426014774.db2.gz GEEZGXCADWIDSM-AWEZNQCLSA-N 1 2 316.405 2.540 20 70 DFIDLO CSCCc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161287294 426016889 /nfs/dbraw/zinc/01/68/89/426016889.db2.gz NUFSDCAUUFDTAG-CQSZACIVSA-N 1 2 315.442 2.990 20 70 DFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)c(F)c1F ZINC000161290836 426017344 /nfs/dbraw/zinc/01/73/44/426017344.db2.gz ZMHCOGABEWMQMX-SNVBAGLBSA-N 1 2 321.302 2.508 20 70 DFIDLO Cc1ccc(C(C)(C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161381863 426022375 /nfs/dbraw/zinc/02/23/75/426022375.db2.gz MQQDUCGUKTYECR-OAHLLOKOSA-N 1 2 311.429 2.848 20 70 DFIDLO CC[C@@H]1c2cccn2CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000159884928 276530789 /nfs/dbraw/zinc/53/07/89/276530789.db2.gz WSOIMVRRWMWOLA-OAHLLOKOSA-N 1 2 321.384 2.676 20 70 DFIDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000159463409 295377310 /nfs/dbraw/zinc/37/73/10/295377310.db2.gz LRHOYISUKUDWEL-UHFFFAOYSA-N 1 2 317.396 2.528 20 70 DFIDLO C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1ccc(-n2ccnn2)cc1 ZINC000159854569 295382635 /nfs/dbraw/zinc/38/26/35/295382635.db2.gz YVLAMWSGCQAHNN-NEPJUHHUSA-N 1 2 324.388 2.940 20 70 DFIDLO CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCO2 ZINC000160135804 295387022 /nfs/dbraw/zinc/38/70/22/295387022.db2.gz GHYQBUAHFYEJDC-UHFFFAOYSA-N 1 2 321.336 2.878 20 70 DFIDLO CC(C)C[C@H](CCO)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160226756 295388489 /nfs/dbraw/zinc/38/84/89/295388489.db2.gz UBMWOVBRVFHCET-ZDUSSCGKSA-N 1 2 309.458 2.518 20 70 DFIDLO CC(C)C[C@H](CCO)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160226756 295388491 /nfs/dbraw/zinc/38/84/91/295388491.db2.gz UBMWOVBRVFHCET-ZDUSSCGKSA-N 1 2 309.458 2.518 20 70 DFIDLO Cc1cccc2nc(CNC(=O)C[N@@H+](C)Cc3ccccc3)[nH]c21 ZINC000160338735 295389930 /nfs/dbraw/zinc/38/99/30/295389930.db2.gz OIKVQRIKQWEZGO-UHFFFAOYSA-N 1 2 322.412 2.620 20 70 DFIDLO Cc1cccc2nc(CNC(=O)C[N@H+](C)Cc3ccccc3)[nH]c21 ZINC000160338735 295389932 /nfs/dbraw/zinc/38/99/32/295389932.db2.gz OIKVQRIKQWEZGO-UHFFFAOYSA-N 1 2 322.412 2.620 20 70 DFIDLO Cc1cc(NC(=O)c2cnc3c(C)cc(F)cc3c2O)cc[nH+]1 ZINC000160557552 295393104 /nfs/dbraw/zinc/39/31/04/295393104.db2.gz KOSOXWGFIXZOOA-UHFFFAOYSA-N 1 2 311.316 2.931 20 70 DFIDLO C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160731427 295395024 /nfs/dbraw/zinc/39/50/24/295395024.db2.gz HCVFAHOPJVEDEG-HOTGVXAUSA-N 1 2 306.356 2.937 20 70 DFIDLO C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160731427 295395025 /nfs/dbraw/zinc/39/50/25/295395025.db2.gz HCVFAHOPJVEDEG-HOTGVXAUSA-N 1 2 306.356 2.937 20 70 DFIDLO Cn1cnnc1C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000160808385 295395615 /nfs/dbraw/zinc/39/56/15/295395615.db2.gz SLHLESHFIXHEON-UHFFFAOYSA-N 1 2 310.323 2.999 20 70 DFIDLO Cn1cnnc1C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000160808385 295395616 /nfs/dbraw/zinc/39/56/16/295395616.db2.gz SLHLESHFIXHEON-UHFFFAOYSA-N 1 2 310.323 2.999 20 70 DFIDLO CCN(C(=O)[C@H](C)[N@H+](CC)Cc1cnn(C)c1)c1ccccc1 ZINC000161098763 295398578 /nfs/dbraw/zinc/39/85/78/295398578.db2.gz RKFNOYACGNESMU-HNNXBMFYSA-N 1 2 314.433 2.684 20 70 DFIDLO CCN(C(=O)[C@H](C)[N@@H+](CC)Cc1cnn(C)c1)c1ccccc1 ZINC000161098763 295398581 /nfs/dbraw/zinc/39/85/81/295398581.db2.gz RKFNOYACGNESMU-HNNXBMFYSA-N 1 2 314.433 2.684 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000161102298 295398666 /nfs/dbraw/zinc/39/86/66/295398666.db2.gz OMCWCDFYKFFMCV-LBPRGKRZSA-N 1 2 320.824 2.923 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000161102298 295398669 /nfs/dbraw/zinc/39/86/69/295398669.db2.gz OMCWCDFYKFFMCV-LBPRGKRZSA-N 1 2 320.824 2.923 20 70 DFIDLO CC(C)c1nc(N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc[nH+]1 ZINC000161338187 295401821 /nfs/dbraw/zinc/40/18/21/295401821.db2.gz QNAWURZLBYLLOP-HNNXBMFYSA-N 1 2 312.417 2.711 20 70 DFIDLO CC(C)[NH+]1CCN(C(=O)c2cc(F)cc3cccnc32)CC1 ZINC000159719654 186137592 /nfs/dbraw/zinc/13/75/92/186137592.db2.gz NWKMAENCIBOBLD-UHFFFAOYSA-N 1 2 301.365 2.540 20 70 DFIDLO COC(=O)C[N@H+](Cc1cccc(OC)c1OC)C1CCCC1 ZINC000159777340 291081601 /nfs/dbraw/zinc/08/16/01/291081601.db2.gz ADBKFEFCQZTUDR-UHFFFAOYSA-N 1 2 307.390 2.621 20 70 DFIDLO COC(=O)C[N@@H+](Cc1cccc(OC)c1OC)C1CCCC1 ZINC000159777340 291081605 /nfs/dbraw/zinc/08/16/05/291081605.db2.gz ADBKFEFCQZTUDR-UHFFFAOYSA-N 1 2 307.390 2.621 20 70 DFIDLO Cn1cnnc1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000160772997 398972985 /nfs/dbraw/zinc/97/29/85/398972985.db2.gz OJGPYDJLGYQGBK-UHFFFAOYSA-N 1 2 321.222 2.742 20 70 DFIDLO Cn1cnnc1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000160772997 398972992 /nfs/dbraw/zinc/97/29/92/398972992.db2.gz OJGPYDJLGYQGBK-UHFFFAOYSA-N 1 2 321.222 2.742 20 70 DFIDLO CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1nc2ccccc2[nH]1 ZINC000161266153 398975667 /nfs/dbraw/zinc/97/56/67/398975667.db2.gz AUQWIBSVDWEUMH-STQMWFEESA-N 1 2 323.400 2.589 20 70 DFIDLO Cc1nc(C2([NH2+]Cc3ccc4c(c3)OCCO4)CCCC2)no1 ZINC000161366862 398975642 /nfs/dbraw/zinc/97/56/42/398975642.db2.gz DSUZTPGIWPUUHP-UHFFFAOYSA-N 1 2 315.373 2.708 20 70 DFIDLO CC(C)c1nnc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)s1 ZINC000160106102 197385924 /nfs/dbraw/zinc/38/59/24/197385924.db2.gz BCILQGNCLIEXKM-CYBMUJFWSA-N 1 2 317.462 2.940 20 70 DFIDLO CCCc1nnc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)s1 ZINC000160106351 197385946 /nfs/dbraw/zinc/38/59/46/197385946.db2.gz IHGWCTDADSZHKA-CYBMUJFWSA-N 1 2 317.462 2.769 20 70 DFIDLO CC1(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCC1 ZINC000160001428 197379715 /nfs/dbraw/zinc/37/97/15/197379715.db2.gz SDKNFOBMRCVWJI-UHFFFAOYSA-N 1 2 302.353 2.753 20 70 DFIDLO COc1cc(OC)c(OC)cc1[NH2+][C@@H](C)CCn1cccn1 ZINC000159473196 197356388 /nfs/dbraw/zinc/35/63/88/197356388.db2.gz MIYGAQQGTALYTC-LBPRGKRZSA-N 1 2 305.378 2.800 20 70 DFIDLO COc1cc(OC)c(OC)cc1[NH2+][C@H](C)CCn1cccn1 ZINC000159473338 197356123 /nfs/dbraw/zinc/35/61/23/197356123.db2.gz MIYGAQQGTALYTC-GFCCVEGCSA-N 1 2 305.378 2.800 20 70 DFIDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000161407962 542729458 /nfs/dbraw/zinc/72/94/58/542729458.db2.gz BJXXVZIENBMRCV-UHFFFAOYSA-N 1 2 316.430 2.801 20 70 DFIDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160880687 265604137 /nfs/dbraw/zinc/60/41/37/265604137.db2.gz GCBSAPYMWAVSLQ-QGZVFWFLSA-N 1 2 320.396 2.532 20 70 DFIDLO O=[S@](Cc1cn2cc(Cl)ccc2[nH+]1)Cc1nccs1 ZINC000160401745 425982241 /nfs/dbraw/zinc/98/22/41/425982241.db2.gz LIVYPFMKPDIOFN-IBGZPJMESA-N 1 2 311.819 2.893 20 70 DFIDLO CC[C@@H](C)OCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000160645616 425990680 /nfs/dbraw/zinc/99/06/80/425990680.db2.gz IVAGWLQPBNPXHM-CQSZACIVSA-N 1 2 317.389 2.716 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)n1 ZINC000160662166 425990733 /nfs/dbraw/zinc/99/07/33/425990733.db2.gz XQDHXWDCFOGWRP-GFCCVEGCSA-N 1 2 301.390 2.946 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)n1 ZINC000160662166 425990736 /nfs/dbraw/zinc/99/07/36/425990736.db2.gz XQDHXWDCFOGWRP-GFCCVEGCSA-N 1 2 301.390 2.946 20 70 DFIDLO CC(C)c1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cn1 ZINC000160687046 425992244 /nfs/dbraw/zinc/99/22/44/425992244.db2.gz LBLHMCQFWAIYRT-UHFFFAOYSA-N 1 2 308.385 2.825 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000161041359 426006233 /nfs/dbraw/zinc/00/62/33/426006233.db2.gz UWJGQJJDMCZTQW-QGZVFWFLSA-N 1 2 313.376 2.848 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000161041359 426006235 /nfs/dbraw/zinc/00/62/35/426006235.db2.gz UWJGQJJDMCZTQW-QGZVFWFLSA-N 1 2 313.376 2.848 20 70 DFIDLO c1cn(CCSc2nnc(N3CCCCC3)n2C2CC2)c[nH+]1 ZINC000159754866 425966100 /nfs/dbraw/zinc/96/61/00/425966100.db2.gz LWTZOROYVUPASI-UHFFFAOYSA-N 1 2 318.450 2.592 20 70 DFIDLO Cc1[nH]c(=O)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000160178551 425976082 /nfs/dbraw/zinc/97/60/82/425976082.db2.gz JDLXZZXZMRSWEQ-UHFFFAOYSA-N 1 2 312.304 2.673 20 70 DFIDLO Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000161475005 426026002 /nfs/dbraw/zinc/02/60/02/426026002.db2.gz WVVLICKCDZANFG-DGCLKSJQSA-N 1 2 318.446 2.738 20 70 DFIDLO Cn1nccc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161484989 426027027 /nfs/dbraw/zinc/02/70/27/426027027.db2.gz ZYIAOTMSNZMORQ-UHFFFAOYSA-N 1 2 318.396 2.798 20 70 DFIDLO Cn1nccc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161484989 426027029 /nfs/dbraw/zinc/02/70/29/426027029.db2.gz ZYIAOTMSNZMORQ-UHFFFAOYSA-N 1 2 318.396 2.798 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000161041517 426006530 /nfs/dbraw/zinc/00/65/30/426006530.db2.gz UWJGQJJDMCZTQW-KRWDZBQOSA-N 1 2 313.376 2.848 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000161041517 426006532 /nfs/dbraw/zinc/00/65/32/426006532.db2.gz UWJGQJJDMCZTQW-KRWDZBQOSA-N 1 2 313.376 2.848 20 70 DFIDLO Nc1c(N[C@H]2CCCc3sccc32)[nH+]cnc1-n1cccn1 ZINC000161058611 426006910 /nfs/dbraw/zinc/00/69/10/426006910.db2.gz HGOXKXIEJZVYPI-NSHDSACASA-N 1 2 312.402 2.796 20 70 DFIDLO CC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000161213499 426013560 /nfs/dbraw/zinc/01/35/60/426013560.db2.gz KDOPPBLIDDTVCS-UHFFFAOYSA-N 1 2 317.216 2.779 20 70 DFIDLO O=C(NCCCCCc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161289906 426017846 /nfs/dbraw/zinc/01/78/46/426017846.db2.gz VCYSYEDRSNJPDZ-KRWDZBQOSA-N 1 2 311.429 2.975 20 70 DFIDLO CC(C)c1nc(N[C@@H](Cc2ccccc2)C(=O)NC2CC2)cc[nH+]1 ZINC000161322406 426018269 /nfs/dbraw/zinc/01/82/69/426018269.db2.gz LDYVWPZAOWQGSI-INIZCTEOSA-N 1 2 324.428 2.902 20 70 DFIDLO O=C(c1ccc(Cl)cn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000217410910 426563972 /nfs/dbraw/zinc/56/39/72/426563972.db2.gz XTQJQKOSSQXGDU-UHFFFAOYSA-N 1 2 315.804 2.693 20 70 DFIDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000217780247 288209070 /nfs/dbraw/zinc/20/90/70/288209070.db2.gz NFLDLAVFWREDCA-VHSXEESVSA-N 1 2 300.196 2.764 20 70 DFIDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000217780247 288209072 /nfs/dbraw/zinc/20/90/72/288209072.db2.gz NFLDLAVFWREDCA-VHSXEESVSA-N 1 2 300.196 2.764 20 70 DFIDLO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1nc(C2CC2)no1 ZINC000159854463 295382682 /nfs/dbraw/zinc/38/26/82/295382682.db2.gz YVLAMWSGCQAHNN-RYUDHWBXSA-N 1 2 324.388 2.940 20 70 DFIDLO Cc1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159958688 295384698 /nfs/dbraw/zinc/38/46/98/295384698.db2.gz JLCJHRANCOCMPG-UHFFFAOYSA-N 1 2 319.430 2.610 20 70 DFIDLO COc1cccc(Cc2nnc(SCCn3cc[nH+]c3)o2)c1 ZINC000160124400 295387039 /nfs/dbraw/zinc/38/70/39/295387039.db2.gz VJHXTHLRTDLCBJ-UHFFFAOYSA-N 1 2 316.386 2.658 20 70 DFIDLO COc1ccccc1C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000160417196 295390859 /nfs/dbraw/zinc/39/08/59/295390859.db2.gz RNLDYRVKVBIZTI-UHFFFAOYSA-N 1 2 306.369 2.847 20 70 DFIDLO COc1ccccc1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000160417196 295390860 /nfs/dbraw/zinc/39/08/60/295390860.db2.gz RNLDYRVKVBIZTI-UHFFFAOYSA-N 1 2 306.369 2.847 20 70 DFIDLO Cc1[nH+]c2ccccn2c1CN(C)Cc1nccn1C(F)F ZINC000160813359 295395650 /nfs/dbraw/zinc/39/56/50/295395650.db2.gz OCTVWUACNAFYJU-UHFFFAOYSA-N 1 2 305.332 2.866 20 70 DFIDLO CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160362584 523921935 /nfs/dbraw/zinc/92/19/35/523921935.db2.gz ZTRXYFYBCLREIQ-TZMCWYRMSA-N 1 2 302.378 2.818 20 70 DFIDLO CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160362584 523921939 /nfs/dbraw/zinc/92/19/39/523921939.db2.gz ZTRXYFYBCLREIQ-TZMCWYRMSA-N 1 2 302.378 2.818 20 70 DFIDLO CCc1cc(N2CCOC[C@@H]2C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000159687663 186135842 /nfs/dbraw/zinc/13/58/42/186135842.db2.gz DGOGLDSXZNKJFA-MRXNPFEDSA-N 1 2 310.401 2.716 20 70 DFIDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCOCC2CC2)o1 ZINC000159435379 398964937 /nfs/dbraw/zinc/96/49/37/398964937.db2.gz PXLOGGIVWBDYGM-QGZVFWFLSA-N 1 2 313.401 2.904 20 70 DFIDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCOCC2CC2)o1 ZINC000159435379 398964942 /nfs/dbraw/zinc/96/49/42/398964942.db2.gz PXLOGGIVWBDYGM-QGZVFWFLSA-N 1 2 313.401 2.904 20 70 DFIDLO O=C(Cn1cc[nH+]c1)NCCCOc1ccc2ccccc2c1 ZINC000160726570 398971729 /nfs/dbraw/zinc/97/17/29/398971729.db2.gz SYLAXPCYGWGPKF-UHFFFAOYSA-N 1 2 309.369 2.622 20 70 DFIDLO COc1ccc(C#N)cc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000160036573 197381317 /nfs/dbraw/zinc/38/13/17/197381317.db2.gz MBXISAKAIDRBOG-UHFFFAOYSA-N 1 2 324.428 2.982 20 70 DFIDLO COc1ccc(C#N)cc1C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000160036573 197381319 /nfs/dbraw/zinc/38/13/19/197381319.db2.gz MBXISAKAIDRBOG-UHFFFAOYSA-N 1 2 324.428 2.982 20 70 DFIDLO COc1ccc(C#N)cc1C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000160036573 197381321 /nfs/dbraw/zinc/38/13/21/197381321.db2.gz MBXISAKAIDRBOG-UHFFFAOYSA-N 1 2 324.428 2.982 20 70 DFIDLO OC[C@H](Nc1cc[nH+]c(C2CC2)n1)c1cc(F)c(F)c(F)c1 ZINC000160130300 197388360 /nfs/dbraw/zinc/38/83/60/197388360.db2.gz XWAWXGOZNZBEAA-LBPRGKRZSA-N 1 2 309.291 2.917 20 70 DFIDLO Cc1ccc(F)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159932463 197375004 /nfs/dbraw/zinc/37/50/04/197375004.db2.gz ZRSMBYZPARQXHG-CQSZACIVSA-N 1 2 314.364 2.930 20 70 DFIDLO CC[N@@H+]1CC[C@@H](NC[C@@H](C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000159803088 197365609 /nfs/dbraw/zinc/36/56/09/197365609.db2.gz XZNSYDBVDMKYOI-MBOZVWFJSA-N 1 2 315.505 2.753 20 70 DFIDLO CC[N@H+]1CC[C@@H](NC[C@@H](C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000159803088 197365610 /nfs/dbraw/zinc/36/56/10/197365610.db2.gz XZNSYDBVDMKYOI-MBOZVWFJSA-N 1 2 315.505 2.753 20 70 DFIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CCCn1cccc1 ZINC000159784776 197364787 /nfs/dbraw/zinc/36/47/87/197364787.db2.gz PHUMZHBJPNFLCK-UHFFFAOYSA-N 1 2 310.401 2.743 20 70 DFIDLO CS(=O)(=O)c1ccc(NCCCCNc2cccc[nH+]2)cc1 ZINC000159374357 197348865 /nfs/dbraw/zinc/34/88/65/197348865.db2.gz VXQNRGRQOJFWBQ-UHFFFAOYSA-N 1 2 319.430 2.789 20 70 DFIDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCCS(C)(=O)=O ZINC000161491112 542729164 /nfs/dbraw/zinc/72/91/64/542729164.db2.gz UMFSGJRUXBGMCV-NSHDSACASA-N 1 2 305.390 2.782 20 70 DFIDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCCS(C)(=O)=O ZINC000161491112 542729169 /nfs/dbraw/zinc/72/91/69/542729169.db2.gz UMFSGJRUXBGMCV-NSHDSACASA-N 1 2 305.390 2.782 20 70 DFIDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159482217 145219826 /nfs/dbraw/zinc/21/98/26/145219826.db2.gz PQNDCXGHPGFWJS-QGZVFWFLSA-N 1 2 322.412 2.756 20 70 DFIDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1cccnc1 ZINC000160460965 425982547 /nfs/dbraw/zinc/98/25/47/425982547.db2.gz GPCXOXRBKUBJII-NSHDSACASA-N 1 2 304.781 2.589 20 70 DFIDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1cccnc1 ZINC000160460965 425982550 /nfs/dbraw/zinc/98/25/50/425982550.db2.gz GPCXOXRBKUBJII-NSHDSACASA-N 1 2 304.781 2.589 20 70 DFIDLO O=C(Nc1cc(F)cc(F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160452223 425983183 /nfs/dbraw/zinc/98/31/83/425983183.db2.gz VFBXTUJQHDUZJS-CYBMUJFWSA-N 1 2 318.327 2.760 20 70 DFIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000160607823 425989715 /nfs/dbraw/zinc/98/97/15/425989715.db2.gz GEHIOXRETGAXHL-CJNGLKHVSA-N 1 2 319.449 2.762 20 70 DFIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000160607699 425990339 /nfs/dbraw/zinc/99/03/39/425990339.db2.gz GEHIOXRETGAXHL-CZUORRHYSA-N 1 2 319.449 2.762 20 70 DFIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc(C#N)nc1 ZINC000159724508 425967033 /nfs/dbraw/zinc/96/70/33/425967033.db2.gz MTHAPQTZIGAQGJ-UHFFFAOYSA-N 1 2 303.369 2.834 20 70 DFIDLO COC(=O)C[N@H+](CCC(=O)c1ccc(C)cc1)C1CCCC1 ZINC000160202325 425976926 /nfs/dbraw/zinc/97/69/26/425976926.db2.gz DWWIOWTXNZDVRL-UHFFFAOYSA-N 1 2 303.402 2.985 20 70 DFIDLO COC(=O)C[N@@H+](CCC(=O)c1ccc(C)cc1)C1CCCC1 ZINC000160202325 425976929 /nfs/dbraw/zinc/97/69/29/425976929.db2.gz DWWIOWTXNZDVRL-UHFFFAOYSA-N 1 2 303.402 2.985 20 70 DFIDLO CCCn1c(C)nnc1C[N@H+](C)CCOCc1ccccc1 ZINC000161028322 426005487 /nfs/dbraw/zinc/00/54/87/426005487.db2.gz QHTHDLMFZGEOCF-UHFFFAOYSA-N 1 2 302.422 2.645 20 70 DFIDLO Cc1cccc(NC(=O)N2CC[NH+](CCOCC3CC3)CC2)c1 ZINC000160267143 425977660 /nfs/dbraw/zinc/97/76/60/425977660.db2.gz RJZIDXQRCHIARJ-UHFFFAOYSA-N 1 2 317.433 2.571 20 70 DFIDLO CCCn1c(C)nnc1C[N@@H+](C)CCOCc1ccccc1 ZINC000161028322 426005491 /nfs/dbraw/zinc/00/54/91/426005491.db2.gz QHTHDLMFZGEOCF-UHFFFAOYSA-N 1 2 302.422 2.645 20 70 DFIDLO c1nc(N2CCCCC2)cc(N[C@@H]2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000160316647 425979451 /nfs/dbraw/zinc/97/94/51/425979451.db2.gz HXBUOPWLYQKYLH-CABCVRRESA-N 1 2 302.422 2.836 20 70 DFIDLO c1nc(N[C@@H]2CCO[C@H](C3CC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000160316647 425979455 /nfs/dbraw/zinc/97/94/55/425979455.db2.gz HXBUOPWLYQKYLH-CABCVRRESA-N 1 2 302.422 2.836 20 70 DFIDLO Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3CCn4cc[nH+]c4C3)c21 ZINC000161389472 426022514 /nfs/dbraw/zinc/02/25/14/426022514.db2.gz BXWAYUCTRLVMOW-CQSZACIVSA-N 1 2 322.412 2.594 20 70 DFIDLO O=C(NCCCc1c[nH]c2ccccc12)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161490375 426026227 /nfs/dbraw/zinc/02/62/27/426026227.db2.gz RIGPTXFZIRHLBS-CQSZACIVSA-N 1 2 322.412 2.676 20 70 DFIDLO CCCC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(=O)OC ZINC000161043998 426006346 /nfs/dbraw/zinc/00/63/46/426006346.db2.gz DBHJTTNQAKWWDA-INIZCTEOSA-N 1 2 301.390 2.694 20 70 DFIDLO CCC[N@H+](Cc1cnc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161076609 426008189 /nfs/dbraw/zinc/00/81/89/426008189.db2.gz QSCIIHXIVCRNLB-GFCCVEGCSA-N 1 2 316.492 2.666 20 70 DFIDLO CCC[N@@H+](Cc1cnc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161076609 426008197 /nfs/dbraw/zinc/00/81/97/426008197.db2.gz QSCIIHXIVCRNLB-GFCCVEGCSA-N 1 2 316.492 2.666 20 70 DFIDLO Cc1nc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)no1 ZINC000161236015 426014857 /nfs/dbraw/zinc/01/48/57/426014857.db2.gz HYIALZUNWXNUPD-UHFFFAOYSA-N 1 2 311.389 2.833 20 70 DFIDLO Cc1nc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)no1 ZINC000161236015 426014858 /nfs/dbraw/zinc/01/48/58/426014858.db2.gz HYIALZUNWXNUPD-UHFFFAOYSA-N 1 2 311.389 2.833 20 70 DFIDLO CCc1ccc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000161357715 426021207 /nfs/dbraw/zinc/02/12/07/426021207.db2.gz MCPCVCNYSDFZEE-VFNNOXKTSA-N 1 2 311.385 2.645 20 70 DFIDLO Cc1noc(C)c1CC[S@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000159408549 295376443 /nfs/dbraw/zinc/37/64/43/295376443.db2.gz BVUOBZQZFRLTER-JOCHJYFZSA-N 1 2 317.414 2.739 20 70 DFIDLO C[S@@](=O)C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000159587654 295378603 /nfs/dbraw/zinc/37/86/03/295378603.db2.gz KDBARDWUNBHMQR-ZHRRBRCNSA-N 1 2 313.426 2.544 20 70 DFIDLO Cc1ccccc1-c1nc(CSCC[NH+]2CCOCC2)no1 ZINC000159771748 295381406 /nfs/dbraw/zinc/38/14/06/295381406.db2.gz MHXWFNJDXYTERU-UHFFFAOYSA-N 1 2 319.430 2.610 20 70 DFIDLO CC[N@H+](Cc1cc(C#N)cs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159912911 295383375 /nfs/dbraw/zinc/38/33/75/295383375.db2.gz GPFBZKYWHXNSPA-UHFFFAOYSA-N 1 2 324.409 2.878 20 70 DFIDLO CC[N@@H+](Cc1cc(C#N)cs1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159912911 295383377 /nfs/dbraw/zinc/38/33/77/295383377.db2.gz GPFBZKYWHXNSPA-UHFFFAOYSA-N 1 2 324.409 2.878 20 70 DFIDLO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000160957303 295396758 /nfs/dbraw/zinc/39/67/58/295396758.db2.gz FNYQGOCFMNPAGF-ZIFCJYIRSA-N 1 2 316.445 2.612 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000161102420 295398455 /nfs/dbraw/zinc/39/84/55/295398455.db2.gz OMCWCDFYKFFMCV-GFCCVEGCSA-N 1 2 320.824 2.923 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000161102420 295398457 /nfs/dbraw/zinc/39/84/57/295398457.db2.gz OMCWCDFYKFFMCV-GFCCVEGCSA-N 1 2 320.824 2.923 20 70 DFIDLO CCC[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161117017 295398903 /nfs/dbraw/zinc/39/89/03/295398903.db2.gz WMOUZYKMTJHHNP-LBPRGKRZSA-N 1 2 319.829 2.878 20 70 DFIDLO CCC[N@@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161117017 295398905 /nfs/dbraw/zinc/39/89/05/295398905.db2.gz WMOUZYKMTJHHNP-LBPRGKRZSA-N 1 2 319.829 2.878 20 70 DFIDLO Cc1cc(C)c(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000160118122 524258666 /nfs/dbraw/zinc/25/86/66/524258666.db2.gz SNPFOGVSLIJOIB-INIZCTEOSA-N 1 2 311.429 2.730 20 70 DFIDLO O=C(NC[C@H]1CC=CCC1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161124038 526586309 /nfs/dbraw/zinc/58/63/09/526586309.db2.gz CEWUDBRETYXYOU-HOTGVXAUSA-N 1 2 314.433 2.706 20 70 DFIDLO C[S@](=O)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000159576738 186128300 /nfs/dbraw/zinc/12/83/00/186128300.db2.gz QJBMGWXEUCAFGF-LRTDBIEQSA-N 1 2 324.427 2.866 20 70 DFIDLO CCc1cc(N2CCOC[C@H]2C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000159687821 186135885 /nfs/dbraw/zinc/13/58/85/186135885.db2.gz DGOGLDSXZNKJFA-INIZCTEOSA-N 1 2 310.401 2.716 20 70 DFIDLO NC(=O)[C@@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc(F)cc1 ZINC000159723038 186137575 /nfs/dbraw/zinc/13/75/75/186137575.db2.gz ORFTYNLIPZWEJA-SFHVURJKSA-N 1 2 312.388 2.747 20 70 DFIDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000160979201 398974389 /nfs/dbraw/zinc/97/43/89/398974389.db2.gz JZYWWIYSHXEPAR-UHFFFAOYSA-N 1 2 320.481 2.507 20 70 DFIDLO Cc1nc(C2([NH2+]Cc3ccc(-n4cncn4)cc3)CCCC2)no1 ZINC000161379774 398975808 /nfs/dbraw/zinc/97/58/08/398975808.db2.gz LZEJEJOAPKHMEZ-UHFFFAOYSA-N 1 2 324.388 2.518 20 70 DFIDLO Cc1csc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000160648964 197428215 /nfs/dbraw/zinc/42/82/15/197428215.db2.gz FDVCWGOFVLMUFJ-UHFFFAOYSA-N 1 2 311.451 2.941 20 70 DFIDLO C[C@H](c1ccccn1)[NH+]1CCN(c2noc(C(C)(C)C)n2)CC1 ZINC000160071120 197383488 /nfs/dbraw/zinc/38/34/88/197383488.db2.gz HPVQPIXVEJXCAL-CYBMUJFWSA-N 1 2 315.421 2.645 20 70 DFIDLO C[C@@H]1CCO[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000160117167 197387333 /nfs/dbraw/zinc/38/73/33/197387333.db2.gz MEMWUMGEULKKSO-PBHICJAKSA-N 1 2 317.433 2.503 20 70 DFIDLO O=C(Nc1ccccc1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159824007 197367352 /nfs/dbraw/zinc/36/73/52/197367352.db2.gz IZRJKANKBHWCQI-GFCCVEGCSA-N 1 2 300.337 2.621 20 70 DFIDLO C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159806258 197365402 /nfs/dbraw/zinc/36/54/02/197365402.db2.gz QLWADWUUINJXJH-VIPLHTEESA-N 1 2 315.505 2.752 20 70 DFIDLO C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159806258 197365403 /nfs/dbraw/zinc/36/54/03/197365403.db2.gz QLWADWUUINJXJH-VIPLHTEESA-N 1 2 315.505 2.752 20 70 DFIDLO C[C@H](CCn1cccn1)[NH2+]c1ccc(N2CCOCC2)c(F)c1 ZINC000159450073 197354004 /nfs/dbraw/zinc/35/40/04/197354004.db2.gz HOZFRRUXICHODR-CQSZACIVSA-N 1 2 318.396 2.750 20 70 DFIDLO O=C(/C=C\c1ccc(Br)s1)NCc1[nH]cc[nH+]1 ZINC000216998860 268138519 /nfs/dbraw/zinc/13/85/19/268138519.db2.gz CRONBPMGPPHJTL-RQOWECAXSA-N 1 2 312.192 2.563 20 70 DFIDLO Cc1nc(C2([NH2+]Cc3ccc(F)c(C#N)c3)CCCC2)no1 ZINC000161028426 426005644 /nfs/dbraw/zinc/00/56/44/426005644.db2.gz JOXQKCPKQKOQOT-UHFFFAOYSA-N 1 2 300.337 2.948 20 70 DFIDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1cccnc1 ZINC000160461093 425982701 /nfs/dbraw/zinc/98/27/01/425982701.db2.gz GPCXOXRBKUBJII-LLVKDONJSA-N 1 2 304.781 2.589 20 70 DFIDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1cccnc1 ZINC000160461093 425982703 /nfs/dbraw/zinc/98/27/03/425982703.db2.gz GPCXOXRBKUBJII-LLVKDONJSA-N 1 2 304.781 2.589 20 70 DFIDLO COc1ccccc1-c1nnc(C[N@@H+]2CCS[C@H](C)C2)o1 ZINC000160586494 425989149 /nfs/dbraw/zinc/98/91/49/425989149.db2.gz KHWJFPPHPOMASK-LLVKDONJSA-N 1 2 305.403 2.683 20 70 DFIDLO COc1ccccc1-c1nnc(C[N@H+]2CCS[C@H](C)C2)o1 ZINC000160586494 425989152 /nfs/dbraw/zinc/98/91/52/425989152.db2.gz KHWJFPPHPOMASK-LLVKDONJSA-N 1 2 305.403 2.683 20 70 DFIDLO Cc1cncc(/C=C/C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000160682943 425992600 /nfs/dbraw/zinc/99/26/00/425992600.db2.gz NPKMHHLEYAFZTL-SNAWJCMRSA-N 1 2 322.412 2.715 20 70 DFIDLO CCCC[N@H+](Cc1cc(C)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000160755225 425994207 /nfs/dbraw/zinc/99/42/07/425994207.db2.gz VEOVZOBBIPXDNK-HNNXBMFYSA-N 1 2 313.438 2.923 20 70 DFIDLO CCCC[N@@H+](Cc1cc(C)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000160755225 425994211 /nfs/dbraw/zinc/99/42/11/425994211.db2.gz VEOVZOBBIPXDNK-HNNXBMFYSA-N 1 2 313.438 2.923 20 70 DFIDLO CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159473529 425960736 /nfs/dbraw/zinc/96/07/36/425960736.db2.gz LGRSHESMKUCTFB-OAHLLOKOSA-N 1 2 313.401 2.503 20 70 DFIDLO c1nc(N2CCCCC2)cc(N[C@H]2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000160317024 425979024 /nfs/dbraw/zinc/97/90/24/425979024.db2.gz HXBUOPWLYQKYLH-LSDHHAIUSA-N 1 2 302.422 2.836 20 70 DFIDLO c1nc(N[C@H]2CCO[C@@H](C3CC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000160317024 425979026 /nfs/dbraw/zinc/97/90/26/425979026.db2.gz HXBUOPWLYQKYLH-LSDHHAIUSA-N 1 2 302.422 2.836 20 70 DFIDLO Cc1cc(C#N)ccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160348685 425979783 /nfs/dbraw/zinc/97/97/83/425979783.db2.gz AAXWDIVXQNKBGP-UHFFFAOYSA-N 1 2 320.396 2.792 20 70 DFIDLO Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000161475391 426025998 /nfs/dbraw/zinc/02/59/98/426025998.db2.gz WVVLICKCDZANFG-AAEUAGOBSA-N 1 2 318.446 2.738 20 70 DFIDLO Cc1nn(C)c(C)c1CN(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000161057230 426006328 /nfs/dbraw/zinc/00/63/28/426006328.db2.gz XSYRXMCXUCTHTC-UHFFFAOYSA-N 1 2 323.444 2.914 20 70 DFIDLO COCCOc1ccc([NH2+]C2CCC(NC(C)=O)CC2)c(C)c1 ZINC000161103111 426008789 /nfs/dbraw/zinc/00/87/89/426008789.db2.gz GPAZQEQKSPGBJB-UHFFFAOYSA-N 1 2 320.433 2.879 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1nc(-c2cccc(C)c2)no1 ZINC000161123526 426010250 /nfs/dbraw/zinc/01/02/50/426010250.db2.gz YYKAOQGTJWUCMJ-UHFFFAOYSA-N 1 2 311.389 2.801 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)Cc1nc(-c2cccc(C)c2)no1 ZINC000161123526 426010252 /nfs/dbraw/zinc/01/02/52/426010252.db2.gz YYKAOQGTJWUCMJ-UHFFFAOYSA-N 1 2 311.389 2.801 20 70 DFIDLO Cc1ccccc1C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161152093 426010849 /nfs/dbraw/zinc/01/08/49/426010849.db2.gz MPRWPMDXWFJIOY-OAHLLOKOSA-N 1 2 309.413 2.602 20 70 DFIDLO COc1ccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)cc1F ZINC000161165352 426011405 /nfs/dbraw/zinc/01/14/05/426011405.db2.gz KGJDAYULSWLUDL-UHFFFAOYSA-N 1 2 315.392 2.860 20 70 DFIDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000161158055 426011511 /nfs/dbraw/zinc/01/15/11/426011511.db2.gz XZGKEUROVKJLQQ-UHFFFAOYSA-N 1 2 324.428 2.558 20 70 DFIDLO COc1cc(OC)c(OC)cc1[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161190386 426012061 /nfs/dbraw/zinc/01/20/61/426012061.db2.gz KVSVXQBEQJNFGV-UHFFFAOYSA-N 1 2 322.405 2.572 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000161256940 426014867 /nfs/dbraw/zinc/01/48/67/426014867.db2.gz FTCMMXDSLYHXTH-INIZCTEOSA-N 1 2 317.433 2.599 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000161256940 426014870 /nfs/dbraw/zinc/01/48/70/426014870.db2.gz FTCMMXDSLYHXTH-INIZCTEOSA-N 1 2 317.433 2.599 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000161261762 426016483 /nfs/dbraw/zinc/01/64/83/426016483.db2.gz OSUGTEPVTOKTJE-MRXNPFEDSA-N 1 2 301.386 2.880 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000161261762 426016486 /nfs/dbraw/zinc/01/64/86/426016486.db2.gz OSUGTEPVTOKTJE-MRXNPFEDSA-N 1 2 301.386 2.880 20 70 DFIDLO CC(C)c1nc(N[C@H](Cc2ccccc2)C(=O)N(C)C)cc[nH+]1 ZINC000161338313 426020294 /nfs/dbraw/zinc/02/02/94/426020294.db2.gz QNAWURZLBYLLOP-OAHLLOKOSA-N 1 2 312.417 2.711 20 70 DFIDLO CCCn1c(C)nnc1C[N@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000161370663 426020860 /nfs/dbraw/zinc/02/08/60/426020860.db2.gz HROUJXZQLMKEHA-GJZGRUSLSA-N 1 2 306.454 2.776 20 70 DFIDLO CCCn1c(C)nnc1C[N@@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000161370663 426020864 /nfs/dbraw/zinc/02/08/64/426020864.db2.gz HROUJXZQLMKEHA-GJZGRUSLSA-N 1 2 306.454 2.776 20 70 DFIDLO COc1cc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc(OC)c1 ZINC000161372894 426021070 /nfs/dbraw/zinc/02/10/70/426021070.db2.gz HEENQIPRGHFHEK-UHFFFAOYSA-N 1 2 317.389 2.954 20 70 DFIDLO COc1ccccc1-c1nnc(C[N@H+](C)C[C@H]2CCCCO2)o1 ZINC000159539247 278044456 /nfs/dbraw/zinc/04/44/56/278044456.db2.gz YUKJPKRAVGEHOT-CYBMUJFWSA-N 1 2 317.389 2.746 20 70 DFIDLO COc1ccccc1-c1nnc(C[N@@H+](C)C[C@H]2CCCCO2)o1 ZINC000159539247 278044458 /nfs/dbraw/zinc/04/44/58/278044458.db2.gz YUKJPKRAVGEHOT-CYBMUJFWSA-N 1 2 317.389 2.746 20 70 DFIDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cccc(F)c1F ZINC000159397513 295376015 /nfs/dbraw/zinc/37/60/15/295376015.db2.gz OIIKKQYFTAKKRC-BJOHPYRUSA-N 1 2 308.303 2.981 20 70 DFIDLO O=[S@](Cc1cn2cc(Cl)ccc2[nH+]1)CC1CCOCC1 ZINC000159407240 295376364 /nfs/dbraw/zinc/37/63/64/295376364.db2.gz MLHPQAVKSGBIHN-HXUWFJFHSA-N 1 2 312.822 2.663 20 70 DFIDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(F)c1F ZINC000159440292 295376967 /nfs/dbraw/zinc/37/69/67/295376967.db2.gz WUUXTFWIRAABTA-HWPZZCPQSA-N 1 2 315.323 2.714 20 70 DFIDLO Cc1cccc(N(CCC(N)=O)Cc2c[nH+]c3ccccn23)c1 ZINC000159532986 295378081 /nfs/dbraw/zinc/37/80/81/295378081.db2.gz BPPUUMCKILJCSM-UHFFFAOYSA-N 1 2 308.385 2.525 20 70 DFIDLO Cc1cc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c[nH]c1=O ZINC000159706985 295380878 /nfs/dbraw/zinc/38/08/78/295380878.db2.gz QCPFDURSWVHAPQ-QPJJXVBHSA-N 1 2 320.352 2.521 20 70 DFIDLO Cc1ccc(-c2nnc(CSCC[NH+]3CCOCC3)o2)cc1 ZINC000159823744 295382033 /nfs/dbraw/zinc/38/20/33/295382033.db2.gz LBZQQQBMTLUSNW-UHFFFAOYSA-N 1 2 319.430 2.610 20 70 DFIDLO COc1ccc([C@@H](NC(=O)C2=CCCC2)c2[nH+]ccn2C)cc1 ZINC000160250772 295388674 /nfs/dbraw/zinc/38/86/74/295388674.db2.gz VZFVPKYTGRCYOX-MRXNPFEDSA-N 1 2 311.385 2.745 20 70 DFIDLO CC[C@@H](C)OCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160514092 295392188 /nfs/dbraw/zinc/39/21/88/295392188.db2.gz XWELTYHKGCLGIK-GFCCVEGCSA-N 1 2 311.451 2.883 20 70 DFIDLO c1ccc2nc(CN3CC[NH+](Cc4ccncc4)CC3)ccc2c1 ZINC000161217856 295399967 /nfs/dbraw/zinc/39/99/67/295399967.db2.gz UQMIQLGYDPFJEP-UHFFFAOYSA-N 1 2 318.424 2.948 20 70 DFIDLO NC(=O)CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000159783485 526862208 /nfs/dbraw/zinc/86/22/08/526862208.db2.gz OYTIVNICKYIHSL-UHFFFAOYSA-N 1 2 317.216 2.786 20 70 DFIDLO CC(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159698844 186136222 /nfs/dbraw/zinc/13/62/22/186136222.db2.gz CNUMBSUVWQWRRV-MRXNPFEDSA-N 1 2 324.384 2.685 20 70 DFIDLO NC(=O)[C@H]([NH2+]CCC1Cc2ccccc2C1)c1ccc(F)cc1 ZINC000159723167 186137349 /nfs/dbraw/zinc/13/73/49/186137349.db2.gz ORFTYNLIPZWEJA-GOSISDBHSA-N 1 2 312.388 2.747 20 70 DFIDLO O=C(Nc1nc(C(F)(F)F)cs1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159756980 398966343 /nfs/dbraw/zinc/96/63/43/398966343.db2.gz QYVDSQSUVBNITL-ZETCQYMHSA-N 1 2 316.308 2.560 20 70 DFIDLO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)[nH]1 ZINC000160167333 197390804 /nfs/dbraw/zinc/39/08/04/197390804.db2.gz YQHDJLXLJQJTDI-CYBMUJFWSA-N 1 2 324.432 2.931 20 70 DFIDLO CCc1nnc(C[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)[nH]1 ZINC000160167333 197390806 /nfs/dbraw/zinc/39/08/06/197390806.db2.gz YQHDJLXLJQJTDI-CYBMUJFWSA-N 1 2 324.432 2.931 20 70 DFIDLO Cc1[nH]c2ccccc2c1C(=O)CSCC[NH+]1CCOCC1 ZINC000159928850 197373429 /nfs/dbraw/zinc/37/34/29/197373429.db2.gz OGFIPWLCIOGCBW-UHFFFAOYSA-N 1 2 318.442 2.724 20 70 DFIDLO O=C(Nc1ccc(F)cc1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159883904 197370877 /nfs/dbraw/zinc/37/08/77/197370877.db2.gz FNYGXDYXLPDLCH-LBPRGKRZSA-N 1 2 318.327 2.760 20 70 DFIDLO CC1(C)CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159838984 197367998 /nfs/dbraw/zinc/36/79/98/197367998.db2.gz SFOZIUVXMCSBDK-LBPRGKRZSA-N 1 2 311.223 2.707 20 70 DFIDLO Cc1cccn2cc(CNC(=O)[C@@H]3OCCc4ccccc43)[nH+]c12 ZINC000159448688 197354536 /nfs/dbraw/zinc/35/45/36/197354536.db2.gz KXWWLOWDZVNKLJ-QGZVFWFLSA-N 1 2 321.380 2.573 20 70 DFIDLO CC1(C)CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159838984 197368000 /nfs/dbraw/zinc/36/80/00/197368000.db2.gz SFOZIUVXMCSBDK-LBPRGKRZSA-N 1 2 311.223 2.707 20 70 DFIDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000217780343 542878098 /nfs/dbraw/zinc/87/80/98/542878098.db2.gz NFLDLAVFWREDCA-UWVGGRQHSA-N 1 2 300.196 2.764 20 70 DFIDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000217780343 542878100 /nfs/dbraw/zinc/87/81/00/542878100.db2.gz NFLDLAVFWREDCA-UWVGGRQHSA-N 1 2 300.196 2.764 20 70 DFIDLO CCc1nnc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)[nH]1 ZINC000159563433 145219486 /nfs/dbraw/zinc/21/94/86/145219486.db2.gz HPRGGDGPIACJJR-CYBMUJFWSA-N 1 2 306.797 2.674 20 70 DFIDLO CCc1nnc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)[nH]1 ZINC000159563433 145219488 /nfs/dbraw/zinc/21/94/88/145219488.db2.gz HPRGGDGPIACJJR-CYBMUJFWSA-N 1 2 306.797 2.674 20 70 DFIDLO O=[S@@](Cc1cn2cc(Cl)ccc2[nH+]1)Cc1nccs1 ZINC000160401869 425981716 /nfs/dbraw/zinc/98/17/16/425981716.db2.gz LIVYPFMKPDIOFN-LJQANCHMSA-N 1 2 311.819 2.893 20 70 DFIDLO COc1ccccc1-c1nnc(C[N@@H+]2CCS[C@@H](C)C2)o1 ZINC000160586619 425988693 /nfs/dbraw/zinc/98/86/93/425988693.db2.gz KHWJFPPHPOMASK-NSHDSACASA-N 1 2 305.403 2.683 20 70 DFIDLO COc1ccccc1-c1nnc(C[N@H+]2CCS[C@@H](C)C2)o1 ZINC000160586619 425988697 /nfs/dbraw/zinc/98/86/97/425988697.db2.gz KHWJFPPHPOMASK-NSHDSACASA-N 1 2 305.403 2.683 20 70 DFIDLO Clc1ccc(-c2cnc(C[N@@H+]3CCC4(C3)OCCO4)o2)cc1 ZINC000160648905 425991658 /nfs/dbraw/zinc/99/16/58/425991658.db2.gz GWGIMDNWYGPMRJ-UHFFFAOYSA-N 1 2 320.776 2.944 20 70 DFIDLO Clc1ccc(-c2cnc(C[N@H+]3CCC4(C3)OCCO4)o2)cc1 ZINC000160648905 425991661 /nfs/dbraw/zinc/99/16/61/425991661.db2.gz GWGIMDNWYGPMRJ-UHFFFAOYSA-N 1 2 320.776 2.944 20 70 DFIDLO Cn1cc[nH+]c1CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000160897795 426000751 /nfs/dbraw/zinc/00/07/51/426000751.db2.gz XRXGTEVTMOGGCP-LBPRGKRZSA-N 1 2 320.462 2.748 20 70 DFIDLO C[N@H+](Cc1cnc2ccccn12)Cc1ccc([S@@](C)=O)cc1 ZINC000160970515 426003839 /nfs/dbraw/zinc/00/38/39/426003839.db2.gz GYNVRLCZLBPQMI-QFIPXVFZSA-N 1 2 313.426 2.704 20 70 DFIDLO C[N@@H+](Cc1cnc2ccccn12)Cc1ccc([S@@](C)=O)cc1 ZINC000160970515 426003843 /nfs/dbraw/zinc/00/38/43/426003843.db2.gz GYNVRLCZLBPQMI-QFIPXVFZSA-N 1 2 313.426 2.704 20 70 DFIDLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159447983 425960023 /nfs/dbraw/zinc/96/00/23/425960023.db2.gz GBGZNHMVUQYHOV-NWDGAFQWSA-N 1 2 319.355 2.943 20 70 DFIDLO Cc1ccsc1CCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159490357 425962244 /nfs/dbraw/zinc/96/22/44/425962244.db2.gz FLODMXPUXMZYLY-UHFFFAOYSA-N 1 2 324.490 2.606 20 70 DFIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C#N)cc1C ZINC000159822371 425969051 /nfs/dbraw/zinc/96/90/51/425969051.db2.gz YBJIUIPUWSASPM-UHFFFAOYSA-N 1 2 318.380 2.955 20 70 DFIDLO C[C@H](CCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160157729 425975120 /nfs/dbraw/zinc/97/51/20/425975120.db2.gz IPFQXJRBIXYLGN-CRAIPNDOSA-N 1 2 316.445 2.550 20 70 DFIDLO C[C@H](CCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160157729 425975124 /nfs/dbraw/zinc/97/51/24/425975124.db2.gz IPFQXJRBIXYLGN-CRAIPNDOSA-N 1 2 316.445 2.550 20 70 DFIDLO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161489592 426026585 /nfs/dbraw/zinc/02/65/85/426026585.db2.gz DTHUGXAJQTWTJH-VHDGCEQUSA-N 1 2 315.804 2.771 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)Cc1csc(-c2ccccn2)n1 ZINC000161111182 426008893 /nfs/dbraw/zinc/00/88/93/426008893.db2.gz GHCAGRXBUAXWCG-UHFFFAOYSA-N 1 2 313.430 2.961 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1csc(-c2ccccn2)n1 ZINC000161111182 426008896 /nfs/dbraw/zinc/00/88/96/426008896.db2.gz GHCAGRXBUAXWCG-UHFFFAOYSA-N 1 2 313.430 2.961 20 70 DFIDLO COc1cc(F)ccc1N1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000161125961 426010064 /nfs/dbraw/zinc/01/00/64/426010064.db2.gz PVXKLQSTSMRLSZ-UHFFFAOYSA-N 1 2 315.392 2.860 20 70 DFIDLO O=C(NCCCCCc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161289792 426017313 /nfs/dbraw/zinc/01/73/13/426017313.db2.gz VCYSYEDRSNJPDZ-QGZVFWFLSA-N 1 2 311.429 2.975 20 70 DFIDLO CCOC(=O)[C@H]1CCCCN1Cc1c[nH+]c2ccc(C)cn12 ZINC000161285784 426017356 /nfs/dbraw/zinc/01/73/56/426017356.db2.gz CRDMAGIEHBBGES-OAHLLOKOSA-N 1 2 301.390 2.560 20 70 DFIDLO O=C(CSCC[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000159932819 295384053 /nfs/dbraw/zinc/38/40/53/295384053.db2.gz FUKXANNZYSTZFQ-UHFFFAOYSA-N 1 2 323.502 2.837 20 70 DFIDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C)o1 ZINC000160232234 295388232 /nfs/dbraw/zinc/38/82/32/295388232.db2.gz MYVKFZYHWMDPJY-UHFFFAOYSA-N 1 2 304.365 2.865 20 70 DFIDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C)o1 ZINC000160232234 295388235 /nfs/dbraw/zinc/38/82/35/295388235.db2.gz MYVKFZYHWMDPJY-UHFFFAOYSA-N 1 2 304.365 2.865 20 70 DFIDLO N#Cc1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)ccc1F ZINC000160473798 295391787 /nfs/dbraw/zinc/39/17/87/295391787.db2.gz YERYIYNDTPGHTR-UHFFFAOYSA-N 1 2 311.360 2.725 20 70 DFIDLO CC[C@H](C)OCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160514218 295392118 /nfs/dbraw/zinc/39/21/18/295392118.db2.gz XWELTYHKGCLGIK-LBPRGKRZSA-N 1 2 311.451 2.883 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000161105554 295398563 /nfs/dbraw/zinc/39/85/63/295398563.db2.gz OXRCKSPFWWVCRN-HNNXBMFYSA-N 1 2 314.433 2.886 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000161105554 295398564 /nfs/dbraw/zinc/39/85/64/295398564.db2.gz OXRCKSPFWWVCRN-HNNXBMFYSA-N 1 2 314.433 2.886 20 70 DFIDLO Cc1ncc(C[NH+]2CCN(C(=O)CCC(C)(C)C)CC2)s1 ZINC000159741489 186138524 /nfs/dbraw/zinc/13/85/24/186138524.db2.gz AXOPYUGOQBZVOC-UHFFFAOYSA-N 1 2 309.479 2.922 20 70 DFIDLO COc1ccccc1C[N@H+](CCO)Cc1cc(F)ccc1C#N ZINC000159737537 186138824 /nfs/dbraw/zinc/13/88/24/186138824.db2.gz XHTBUSZFBOTEDZ-UHFFFAOYSA-N 1 2 314.360 2.700 20 70 DFIDLO COc1ccccc1C[N@@H+](CCO)Cc1cc(F)ccc1C#N ZINC000159737537 186138825 /nfs/dbraw/zinc/13/88/25/186138825.db2.gz XHTBUSZFBOTEDZ-UHFFFAOYSA-N 1 2 314.360 2.700 20 70 DFIDLO C[C@@H]1[C@@H](C)CC[N@@H+]1[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160605344 197425314 /nfs/dbraw/zinc/42/53/14/197425314.db2.gz PJRUFSLIDBGEKU-CWSCBRNRSA-N 1 2 311.223 2.706 20 70 DFIDLO C[C@@H]1[C@@H](C)CC[N@H+]1[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160605344 197425316 /nfs/dbraw/zinc/42/53/16/197425316.db2.gz PJRUFSLIDBGEKU-CWSCBRNRSA-N 1 2 311.223 2.706 20 70 DFIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2Br)[nH]1 ZINC000160269619 197396593 /nfs/dbraw/zinc/39/65/93/197396593.db2.gz ICGOEAAGPFWHTO-VIFPVBQESA-N 1 2 309.211 2.980 20 70 DFIDLO CCc1nnc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)[nH]1 ZINC000159419332 197352272 /nfs/dbraw/zinc/35/22/72/197352272.db2.gz XINHOQQOYPNQMM-AWEZNQCLSA-N 1 2 316.380 2.744 20 70 DFIDLO CCc1nnc(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)[nH]1 ZINC000159419332 197352273 /nfs/dbraw/zinc/35/22/73/197352273.db2.gz XINHOQQOYPNQMM-AWEZNQCLSA-N 1 2 316.380 2.744 20 70 DFIDLO CCc1noc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000159467763 542717977 /nfs/dbraw/zinc/71/79/77/542717977.db2.gz PFYMCYVOJWBWKN-CYBMUJFWSA-N 1 2 318.396 2.650 20 70 DFIDLO CC[N@@H+]1CCO[C@H](CNCc2cc(Cl)ccc2Cl)C1 ZINC000159544684 542718512 /nfs/dbraw/zinc/71/85/12/542718512.db2.gz VBONOPXQSKPHSL-CYBMUJFWSA-N 1 2 303.233 2.804 20 70 DFIDLO CC[N@H+]1CCO[C@H](CNCc2cc(Cl)ccc2Cl)C1 ZINC000159544684 542718515 /nfs/dbraw/zinc/71/85/15/542718515.db2.gz VBONOPXQSKPHSL-CYBMUJFWSA-N 1 2 303.233 2.804 20 70 DFIDLO CC(C)COc1ccc([C@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC000159600172 542718616 /nfs/dbraw/zinc/71/86/16/542718616.db2.gz OJPPZIHCIYQMGP-AWEZNQCLSA-N 1 2 301.390 2.795 20 70 DFIDLO C[N@H+](CCCCS(C)(=O)=O)Cc1nc2ccccc2s1 ZINC000161250109 542727692 /nfs/dbraw/zinc/72/76/92/542727692.db2.gz AFFUZRSGWTZODB-UHFFFAOYSA-N 1 2 312.460 2.553 20 70 DFIDLO C[N@@H+](CCCCS(C)(=O)=O)Cc1nc2ccccc2s1 ZINC000161250109 542727695 /nfs/dbraw/zinc/72/76/95/542727695.db2.gz AFFUZRSGWTZODB-UHFFFAOYSA-N 1 2 312.460 2.553 20 70 DFIDLO CC[C@@H](C)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160430177 425983169 /nfs/dbraw/zinc/98/31/69/425983169.db2.gz GDFNKSYTRBJJIK-CVEARBPZSA-N 1 2 318.465 2.734 20 70 DFIDLO C=CC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1cccs1 ZINC000160562084 425987359 /nfs/dbraw/zinc/98/73/59/425987359.db2.gz UQJMBZPTIFYBED-UHFFFAOYSA-N 1 2 301.477 2.949 20 70 DFIDLO C=CC[N@H+](CCCS(=O)(=O)C(C)C)Cc1cccs1 ZINC000160562084 425987361 /nfs/dbraw/zinc/98/73/61/425987361.db2.gz UQJMBZPTIFYBED-UHFFFAOYSA-N 1 2 301.477 2.949 20 70 DFIDLO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160599527 425988411 /nfs/dbraw/zinc/98/84/11/425988411.db2.gz WIUXRZFUFHLSPH-OAHLLOKOSA-N 1 2 315.421 2.946 20 70 DFIDLO Cc1noc(C)c1C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160599527 425988413 /nfs/dbraw/zinc/98/84/13/425988413.db2.gz WIUXRZFUFHLSPH-OAHLLOKOSA-N 1 2 315.421 2.946 20 70 DFIDLO CCC[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000160588381 425988460 /nfs/dbraw/zinc/98/84/60/425988460.db2.gz IMGLZCJUVHCRKI-CVEARBPZSA-N 1 2 318.465 2.702 20 70 DFIDLO CCC[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000160588381 425988462 /nfs/dbraw/zinc/98/84/62/425988462.db2.gz IMGLZCJUVHCRKI-CVEARBPZSA-N 1 2 318.465 2.702 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)n1 ZINC000160661989 425991203 /nfs/dbraw/zinc/99/12/03/425991203.db2.gz XQDHXWDCFOGWRP-LBPRGKRZSA-N 1 2 301.390 2.946 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)n1 ZINC000160661989 425991204 /nfs/dbraw/zinc/99/12/04/425991204.db2.gz XQDHXWDCFOGWRP-LBPRGKRZSA-N 1 2 301.390 2.946 20 70 DFIDLO CN(Cc1c[nH+]c2ccccn12)Cc1nc2ccccc2n1C ZINC000160941937 426002762 /nfs/dbraw/zinc/00/27/62/426002762.db2.gz QMYHMYAYSIABHF-UHFFFAOYSA-N 1 2 305.385 2.853 20 70 DFIDLO Cc1ccccc1CNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000159891862 425969887 /nfs/dbraw/zinc/96/98/87/425969887.db2.gz BCTXWKGXFRFTCC-KRWDZBQOSA-N 1 2 324.428 2.858 20 70 DFIDLO CCC[N@@H+](Cc1cn[nH]c1C)C[C@@H]1COc2ccccc2O1 ZINC000161428853 426023088 /nfs/dbraw/zinc/02/30/88/426023088.db2.gz RWXYXGSDOWKUQP-OAHLLOKOSA-N 1 2 301.390 2.770 20 70 DFIDLO CCC[N@H+](Cc1cn[nH]c1C)C[C@@H]1COc2ccccc2O1 ZINC000161428853 426023090 /nfs/dbraw/zinc/02/30/90/426023090.db2.gz RWXYXGSDOWKUQP-OAHLLOKOSA-N 1 2 301.390 2.770 20 70 DFIDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000161453094 426024713 /nfs/dbraw/zinc/02/47/13/426024713.db2.gz LWJQEDHDQANSKX-OAHLLOKOSA-N 1 2 307.401 2.540 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000161064474 426008033 /nfs/dbraw/zinc/00/80/33/426008033.db2.gz TXBIKZKBUBCXQR-AWEZNQCLSA-N 1 2 313.401 2.939 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000161064474 426008036 /nfs/dbraw/zinc/00/80/36/426008036.db2.gz TXBIKZKBUBCXQR-AWEZNQCLSA-N 1 2 313.401 2.939 20 70 DFIDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000161144427 426009953 /nfs/dbraw/zinc/00/99/53/426009953.db2.gz UWODLSSMAQHTES-UHFFFAOYSA-N 1 2 324.428 2.558 20 70 DFIDLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000161166501 426011589 /nfs/dbraw/zinc/01/15/89/426011589.db2.gz UVWWQRMYXHFQLS-JSGCOSHPSA-N 1 2 302.447 2.982 20 70 DFIDLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nsc(N(C)C)n1 ZINC000161166501 426011590 /nfs/dbraw/zinc/01/15/90/426011590.db2.gz UVWWQRMYXHFQLS-JSGCOSHPSA-N 1 2 302.447 2.982 20 70 DFIDLO CC1(O)CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000161208316 426013940 /nfs/dbraw/zinc/01/39/40/426013940.db2.gz XTCMBKNHXNVJNE-UHFFFAOYSA-N 1 2 317.216 2.779 20 70 DFIDLO COC(=O)CCN(Cc1ccc(F)c(F)c1)c1cc[nH+]c(C)n1 ZINC000161244762 426014690 /nfs/dbraw/zinc/01/46/90/426014690.db2.gz LKORLWAHXHUFAI-UHFFFAOYSA-N 1 2 321.327 2.633 20 70 DFIDLO O=C(Nc1cccnc1Cl)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161269634 426015940 /nfs/dbraw/zinc/01/59/40/426015940.db2.gz OEOKTAHYFWCCDW-LLVKDONJSA-N 1 2 317.780 2.530 20 70 DFIDLO C[NH+](C)[C@H](CNC(=O)NC1(C)CCC1)c1c(F)cccc1F ZINC000161294116 426016922 /nfs/dbraw/zinc/01/69/22/426016922.db2.gz BCBUFUULPLDHAI-CYBMUJFWSA-N 1 2 311.376 2.809 20 70 DFIDLO CC(C)c1nc(N[C@H](Cc2ccccc2)C(=O)NC2CC2)cc[nH+]1 ZINC000161322537 426018834 /nfs/dbraw/zinc/01/88/34/426018834.db2.gz LDYVWPZAOWQGSI-MRXNPFEDSA-N 1 2 324.428 2.902 20 70 DFIDLO CC(C)OCCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161321492 426018987 /nfs/dbraw/zinc/01/89/87/426018987.db2.gz PIXCIQYGBAVFPN-UHFFFAOYSA-N 1 2 324.852 2.799 20 70 DFIDLO COC(=O)CCN(Cc1cccc(F)c1F)c1cc[nH+]c(C)n1 ZINC000161346256 426019459 /nfs/dbraw/zinc/01/94/59/426019459.db2.gz HZRVEYLNONUBRL-UHFFFAOYSA-N 1 2 321.327 2.633 20 70 DFIDLO Cc1cccc2[nH]cc(CCNC(=O)[C@H]3CCn4cc[nH+]c4C3)c21 ZINC000161389595 426022265 /nfs/dbraw/zinc/02/22/65/426022265.db2.gz BXWAYUCTRLVMOW-AWEZNQCLSA-N 1 2 322.412 2.594 20 70 DFIDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccnc2ccccc21)C1CC1 ZINC000218530149 426567605 /nfs/dbraw/zinc/56/76/05/426567605.db2.gz ABXKGZIQFCDEAB-MRXNPFEDSA-N 1 2 306.369 2.849 20 70 DFIDLO Cc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c(C#N)c(C)n1 ZINC000160695889 278717141 /nfs/dbraw/zinc/71/71/41/278717141.db2.gz WPBAAWGBWLZZFI-UHFFFAOYSA-N 1 2 309.417 2.990 20 70 DFIDLO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160695427 290281895 /nfs/dbraw/zinc/28/18/95/290281895.db2.gz HNHPRMDJYAMLOJ-CYBMUJFWSA-N 1 2 300.358 2.851 20 70 DFIDLO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC2(C1)OCCO2 ZINC000160695427 290281898 /nfs/dbraw/zinc/28/18/98/290281898.db2.gz HNHPRMDJYAMLOJ-CYBMUJFWSA-N 1 2 300.358 2.851 20 70 DFIDLO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1nc(C2CC2)no1 ZINC000159854649 295382432 /nfs/dbraw/zinc/38/24/32/295382432.db2.gz YVLAMWSGCQAHNN-NWDGAFQWSA-N 1 2 324.388 2.940 20 70 DFIDLO CC[C@@]1(C)C[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159835843 295382496 /nfs/dbraw/zinc/38/24/96/295382496.db2.gz NWBLTMHARXDKEK-MJGOQNOKSA-N 1 2 316.445 2.646 20 70 DFIDLO O=[N+]([O-])c1cc(Cl)ccc1CSCC[NH+]1CCOCC1 ZINC000159940026 295384211 /nfs/dbraw/zinc/38/42/11/295384211.db2.gz ZLFITIVXCNFHOA-UHFFFAOYSA-N 1 2 316.810 2.814 20 70 DFIDLO c1cn(CCSc2n[nH]c(-c3ccc4c(c3)CCC4)n2)c[nH+]1 ZINC000160150030 295387371 /nfs/dbraw/zinc/38/73/71/295387371.db2.gz MEKJQTQDWUABGP-UHFFFAOYSA-N 1 2 311.414 2.949 20 70 DFIDLO c1cn(CCSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)c[nH+]1 ZINC000160150030 295387372 /nfs/dbraw/zinc/38/73/72/295387372.db2.gz MEKJQTQDWUABGP-UHFFFAOYSA-N 1 2 311.414 2.949 20 70 DFIDLO Cc1[nH+]c2ccccn2c1CN(CC(=O)N(C)C)c1ccccc1 ZINC000160911998 295396484 /nfs/dbraw/zinc/39/64/84/295396484.db2.gz ISDVJTCKQKAOBY-UHFFFAOYSA-N 1 2 322.412 2.738 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000161077401 295398521 /nfs/dbraw/zinc/39/85/21/295398521.db2.gz PRTNDVPFCDEPJW-LBPRGKRZSA-N 1 2 320.824 2.923 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000161077401 295398523 /nfs/dbraw/zinc/39/85/23/295398523.db2.gz PRTNDVPFCDEPJW-LBPRGKRZSA-N 1 2 320.824 2.923 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000161122582 295399054 /nfs/dbraw/zinc/39/90/54/295399054.db2.gz CDLXAICRRAMCSZ-UHFFFAOYSA-N 1 2 311.389 2.801 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000161122582 295399056 /nfs/dbraw/zinc/39/90/56/295399056.db2.gz CDLXAICRRAMCSZ-UHFFFAOYSA-N 1 2 311.389 2.801 20 70 DFIDLO COc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1OC ZINC000161367822 295401961 /nfs/dbraw/zinc/40/19/61/295401961.db2.gz SFRFCWDJCOTERC-UHFFFAOYSA-N 1 2 317.389 2.954 20 70 DFIDLO O=C(NCCCn1cc[nH+]c1)c1ccccc1NCc1ccco1 ZINC000161357287 295401991 /nfs/dbraw/zinc/40/19/91/295401991.db2.gz SUCJVIWIWAVVRB-UHFFFAOYSA-N 1 2 324.384 2.908 20 70 DFIDLO CC(C)c1noc([C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)n1 ZINC000161405519 295402346 /nfs/dbraw/zinc/40/23/46/295402346.db2.gz DPONPMVZRYBSHL-KOLCDFICSA-N 1 2 321.343 2.889 20 70 DFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000161165949 527437524 /nfs/dbraw/zinc/43/75/24/527437524.db2.gz RSCORAYZLWDTHS-UHFFFAOYSA-N 1 2 318.320 2.554 20 70 DFIDLO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCC1=O ZINC000159562763 186127385 /nfs/dbraw/zinc/12/73/85/186127385.db2.gz WSMMPVSTBCPCOC-QGZVFWFLSA-N 1 2 302.418 2.675 20 70 DFIDLO CC(C)Cc1noc(C[N@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159808062 197365454 /nfs/dbraw/zinc/36/54/54/197365454.db2.gz HIDRHKCGTKBPNS-UHFFFAOYSA-N 1 2 302.422 2.966 20 70 DFIDLO CC(C)Cc1noc(C[N@@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159808062 197365456 /nfs/dbraw/zinc/36/54/56/197365456.db2.gz HIDRHKCGTKBPNS-UHFFFAOYSA-N 1 2 302.422 2.966 20 70 DFIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](O)c1ccccc1 ZINC000159452695 197354990 /nfs/dbraw/zinc/35/49/90/197354990.db2.gz WRGUMBUJMZZDEZ-SFHVURJKSA-N 1 2 323.396 2.585 20 70 DFIDLO CCOc1ccccc1C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000159410831 197351348 /nfs/dbraw/zinc/35/13/48/197351348.db2.gz RJERTPFNDXMWPN-UHFFFAOYSA-N 1 2 315.417 2.700 20 70 DFIDLO CCOc1ccccc1CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000159410831 197351349 /nfs/dbraw/zinc/35/13/49/197351349.db2.gz RJERTPFNDXMWPN-UHFFFAOYSA-N 1 2 315.417 2.700 20 70 DFIDLO COCc1ccc([C@H]2CCCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000161225701 542727404 /nfs/dbraw/zinc/72/74/04/542727404.db2.gz DPZJJUIYBTWHQD-OAHLLOKOSA-N 1 2 317.389 2.766 20 70 DFIDLO C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)C1CCC1 ZINC000161434936 542729327 /nfs/dbraw/zinc/72/93/27/542729327.db2.gz HTTYAVSHDBIRRN-AWEZNQCLSA-N 1 2 317.433 2.829 20 70 DFIDLO CCCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2C(=O)OC)cc1 ZINC000216904181 268138760 /nfs/dbraw/zinc/13/87/60/268138760.db2.gz COIBKNFFKZWNEO-QGZVFWFLSA-N 1 2 321.417 2.882 20 70 DFIDLO CCCOc1ccc(OCC[N@H+]2CCCC[C@@H]2C(=O)OC)cc1 ZINC000216904181 268138761 /nfs/dbraw/zinc/13/87/61/268138761.db2.gz COIBKNFFKZWNEO-QGZVFWFLSA-N 1 2 321.417 2.882 20 70 DFIDLO O=C(N[C@H]1CCc2c1cccc2Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160422822 425981355 /nfs/dbraw/zinc/98/13/55/425981355.db2.gz VSOZQVVQWVKRMS-ABAIWWIYSA-N 1 2 315.804 2.903 20 70 DFIDLO O=[S@](Cc1nccs1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000160397706 425982163 /nfs/dbraw/zinc/98/21/63/425982163.db2.gz KQTZDQOKZWJECC-OAQYLSRUSA-N 1 2 317.439 2.837 20 70 DFIDLO Cc1ccc([C@H](CNC(=O)[C@@H]2CC2(C)C)[NH+]2CCOCC2)s1 ZINC000160530352 425986241 /nfs/dbraw/zinc/98/62/41/425986241.db2.gz VYUASRAGEDYOEY-KBPBESRZSA-N 1 2 322.474 2.592 20 70 DFIDLO COc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1[N+](=O)[O-] ZINC000160549680 425986365 /nfs/dbraw/zinc/98/63/65/425986365.db2.gz YURAYHPUNMHVOM-UHFFFAOYSA-N 1 2 316.361 2.706 20 70 DFIDLO N#Cc1ccc(F)cc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000160559333 425987335 /nfs/dbraw/zinc/98/73/35/425987335.db2.gz QVYIXNWXMNOKNB-UHFFFAOYSA-N 1 2 318.392 2.857 20 70 DFIDLO Fc1ccc(-c2nc(C[N@@H+]3CCC4(C3)OCCO4)co2)cc1F ZINC000160615121 425990415 /nfs/dbraw/zinc/99/04/15/425990415.db2.gz ICMNBCBITGCXJI-UHFFFAOYSA-N 1 2 322.311 2.569 20 70 DFIDLO Fc1ccc(-c2nc(C[N@H+]3CCC4(C3)OCCO4)co2)cc1F ZINC000160615121 425990418 /nfs/dbraw/zinc/99/04/18/425990418.db2.gz ICMNBCBITGCXJI-UHFFFAOYSA-N 1 2 322.311 2.569 20 70 DFIDLO Cn1c(C[N@H+](C)Cc2cccc(C#N)c2)nnc1-c1ccccc1 ZINC000160770344 425995209 /nfs/dbraw/zinc/99/52/09/425995209.db2.gz WQNNUKWRBIXUHE-UHFFFAOYSA-N 1 2 317.396 2.986 20 70 DFIDLO Cn1c(C[N@@H+](C)Cc2cccc(C#N)c2)nnc1-c1ccccc1 ZINC000160770344 425995213 /nfs/dbraw/zinc/99/52/13/425995213.db2.gz WQNNUKWRBIXUHE-UHFFFAOYSA-N 1 2 317.396 2.986 20 70 DFIDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000160883344 426000378 /nfs/dbraw/zinc/00/03/78/426000378.db2.gz ZSLRFCVDWSUHLT-UHFFFAOYSA-N 1 2 315.398 2.944 20 70 DFIDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000160883344 426000381 /nfs/dbraw/zinc/00/03/81/426000381.db2.gz ZSLRFCVDWSUHLT-UHFFFAOYSA-N 1 2 315.398 2.944 20 70 DFIDLO COc1nc(C)nc(NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000159397886 425959270 /nfs/dbraw/zinc/95/92/70/425959270.db2.gz MESKPNHYLGKGRM-UHFFFAOYSA-N 1 2 309.373 2.900 20 70 DFIDLO CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159473670 425960426 /nfs/dbraw/zinc/96/04/26/425960426.db2.gz LGRSHESMKUCTFB-HNNXBMFYSA-N 1 2 313.401 2.503 20 70 DFIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCCc2sccc21 ZINC000159412542 425961027 /nfs/dbraw/zinc/96/10/27/425961027.db2.gz NZKXEDPLNIEOGB-CQSZACIVSA-N 1 2 303.431 2.913 20 70 DFIDLO O=C(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)Nc1ccccc1 ZINC000159600289 425964755 /nfs/dbraw/zinc/96/47/55/425964755.db2.gz ZGGYBELRNFQQHL-FQEVSTJZSA-N 1 2 322.408 2.799 20 70 DFIDLO O=C(C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)Nc1ccccc1 ZINC000159600289 425964758 /nfs/dbraw/zinc/96/47/58/425964758.db2.gz ZGGYBELRNFQQHL-FQEVSTJZSA-N 1 2 322.408 2.799 20 70 DFIDLO O=C([C@H]1CCCCO1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000159982144 425971536 /nfs/dbraw/zinc/97/15/36/425971536.db2.gz ANRAWAJJZALXSD-MRXNPFEDSA-N 1 2 322.836 2.553 20 70 DFIDLO C(C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)OCC1CC1 ZINC000160077401 425974579 /nfs/dbraw/zinc/97/45/79/425974579.db2.gz GJVAANUTLOZUND-OAHLLOKOSA-N 1 2 304.438 2.568 20 70 DFIDLO C(C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)OCC1CC1 ZINC000160077401 425974583 /nfs/dbraw/zinc/97/45/83/425974583.db2.gz GJVAANUTLOZUND-OAHLLOKOSA-N 1 2 304.438 2.568 20 70 DFIDLO CSc1cc(C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)ccc1F ZINC000160173110 425974939 /nfs/dbraw/zinc/97/49/39/425974939.db2.gz YTCZQOZUQJWJFL-LBPRGKRZSA-N 1 2 319.405 2.797 20 70 DFIDLO Cc1sc2[nH]c(C[N@H+](C)C[C@H]3CCCCO3)nc(=O)c2c1C ZINC000161449393 426023799 /nfs/dbraw/zinc/02/37/99/426023799.db2.gz WXSQFSCPSRDVGG-GFCCVEGCSA-N 1 2 321.446 2.602 20 70 DFIDLO Cc1sc2[nH]c(C[N@@H+](C)C[C@H]3CCCCO3)nc(=O)c2c1C ZINC000161449393 426023801 /nfs/dbraw/zinc/02/38/01/426023801.db2.gz WXSQFSCPSRDVGG-GFCCVEGCSA-N 1 2 321.446 2.602 20 70 DFIDLO CS[C@H](C)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000161046888 426007040 /nfs/dbraw/zinc/00/70/40/426007040.db2.gz GXOHFIWZFMHGCM-CQSZACIVSA-N 1 2 321.490 2.514 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000161064329 426007654 /nfs/dbraw/zinc/00/76/54/426007654.db2.gz GPYAENCOYXXHNT-CYBMUJFWSA-N 1 2 308.385 2.901 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000161064329 426007658 /nfs/dbraw/zinc/00/76/58/426007658.db2.gz GPYAENCOYXXHNT-CYBMUJFWSA-N 1 2 308.385 2.901 20 70 DFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccnc2ccccc21 ZINC000161296841 426016902 /nfs/dbraw/zinc/01/69/02/426016902.db2.gz CUKZSSLYVAEDBH-CQSZACIVSA-N 1 2 318.380 2.639 20 70 DFIDLO CC(=O)NC1CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000161330350 426020123 /nfs/dbraw/zinc/02/01/23/426020123.db2.gz PXCXHZMYEPCNSI-UHFFFAOYSA-N 1 2 316.449 2.931 20 70 DFIDLO O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cs1 ZINC000161347394 426020164 /nfs/dbraw/zinc/02/01/64/426020164.db2.gz LEXHWCLQCWVYFU-LLVKDONJSA-N 1 2 324.324 2.792 20 70 DFIDLO CCOCCCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161345066 426020236 /nfs/dbraw/zinc/02/02/36/426020236.db2.gz FYZSTGKBPOQPCI-UHFFFAOYSA-N 1 2 324.852 2.801 20 70 DFIDLO C[C@@H]1CCO[C@@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000161402741 287647329 /nfs/dbraw/zinc/64/73/29/287647329.db2.gz HBXYEXRQVJJHDA-OCCSQVGLSA-N 1 2 323.462 2.739 20 70 DFIDLO CCCC(O)(CCC)CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000159717380 295380732 /nfs/dbraw/zinc/38/07/32/295380732.db2.gz VEXDRUTVBMSDOX-UHFFFAOYSA-N 1 2 309.454 2.877 20 70 DFIDLO CC(C)(C)CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160341788 295389896 /nfs/dbraw/zinc/38/98/96/295389896.db2.gz UDJOASGKPBHEFF-UHFFFAOYSA-N 1 2 318.465 2.735 20 70 DFIDLO COC(=O)CCN(Cc1ccncc1)c1cc[nH+]c(C(C)C)n1 ZINC000161364899 295401948 /nfs/dbraw/zinc/40/19/48/295401948.db2.gz GEQGPDSTIKJGBX-UHFFFAOYSA-N 1 2 314.389 2.565 20 70 DFIDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1OC ZINC000160368350 521223869 /nfs/dbraw/zinc/22/38/69/521223869.db2.gz ZWAPGKQQCKTGNQ-LLVKDONJSA-N 1 2 304.394 2.625 20 70 DFIDLO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160087529 527272836 /nfs/dbraw/zinc/27/28/36/527272836.db2.gz OGBMPCOVBYIGTG-KRWDZBQOSA-N 1 2 322.412 2.971 20 70 DFIDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)C[C@@H]1CCCO1 ZINC000160275745 197397517 /nfs/dbraw/zinc/39/75/17/197397517.db2.gz SXYPHAWKCPHXCV-HIFRSBDPSA-N 1 2 301.390 2.832 20 70 DFIDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000160275745 197397518 /nfs/dbraw/zinc/39/75/18/197397518.db2.gz SXYPHAWKCPHXCV-HIFRSBDPSA-N 1 2 301.390 2.832 20 70 DFIDLO C[C@@H](c1ccccn1)[NH+]1CCN(c2nnc(C3CC3)s2)CC1 ZINC000160076996 197383509 /nfs/dbraw/zinc/38/35/09/197383509.db2.gz WRWKEVBMPKDVFA-LBPRGKRZSA-N 1 2 315.446 2.694 20 70 DFIDLO c1coc(-c2nc(CSCC[NH+]3CCOCC3)cs2)c1 ZINC000159961496 197377058 /nfs/dbraw/zinc/37/70/58/197377058.db2.gz LSPUCAYSIHVNKP-UHFFFAOYSA-N 1 2 310.444 2.969 20 70 DFIDLO Cc1cccc(C)c1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159919931 197374028 /nfs/dbraw/zinc/37/40/28/197374028.db2.gz JFCYSCSCSNDZGE-OAHLLOKOSA-N 1 2 322.474 2.696 20 70 DFIDLO O=C(Nc1ccccc1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159824141 197367045 /nfs/dbraw/zinc/36/70/45/197367045.db2.gz IZRJKANKBHWCQI-LBPRGKRZSA-N 1 2 300.337 2.621 20 70 DFIDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000159513064 197359348 /nfs/dbraw/zinc/35/93/48/197359348.db2.gz WFGAKJGGTKYSQQ-MRXNPFEDSA-N 1 2 303.381 2.578 20 70 DFIDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000159513064 197359350 /nfs/dbraw/zinc/35/93/50/197359350.db2.gz WFGAKJGGTKYSQQ-MRXNPFEDSA-N 1 2 303.381 2.578 20 70 DFIDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)NC1CC=CC1 ZINC000160355319 542722694 /nfs/dbraw/zinc/72/26/94/542722694.db2.gz XXLOPKDYGGTUDE-UHFFFAOYSA-N 1 2 312.373 2.802 20 70 DFIDLO Cc1cccn2cc(CCNC(=O)C[C@H](C)c3ccncc3)[nH+]c12 ZINC000161212048 542727487 /nfs/dbraw/zinc/72/74/87/542727487.db2.gz DSSNKLCKKANVFF-HNNXBMFYSA-N 1 2 322.412 2.890 20 70 DFIDLO Cc1cc(NC2CCN(C(=O)C(C)C)CC2)c(C#N)c(C)[nH+]1 ZINC000160479513 425984170 /nfs/dbraw/zinc/98/41/70/425984170.db2.gz NOUMXSRRKCCXGW-UHFFFAOYSA-N 1 2 300.406 2.629 20 70 DFIDLO CCc1ccccc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160749756 425994403 /nfs/dbraw/zinc/99/44/03/425994403.db2.gz BVEFLTONDANFEC-UHFFFAOYSA-N 1 2 309.413 2.602 20 70 DFIDLO CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160979278 426003897 /nfs/dbraw/zinc/00/38/97/426003897.db2.gz NLSSTPSXBOXHHJ-KRWDZBQOSA-N 1 2 304.482 2.958 20 70 DFIDLO CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160979278 426003902 /nfs/dbraw/zinc/00/39/02/426003902.db2.gz NLSSTPSXBOXHHJ-KRWDZBQOSA-N 1 2 304.482 2.958 20 70 DFIDLO COC(=O)C[N@H+](Cc1cc(OC)ccc1OC)C1CCCC1 ZINC000159777489 425967800 /nfs/dbraw/zinc/96/78/00/425967800.db2.gz KDIDGVPOJOHOOO-UHFFFAOYSA-N 1 2 307.390 2.621 20 70 DFIDLO COC(=O)C[N@@H+](Cc1cc(OC)ccc1OC)C1CCCC1 ZINC000159777489 425967804 /nfs/dbraw/zinc/96/78/04/425967804.db2.gz KDIDGVPOJOHOOO-UHFFFAOYSA-N 1 2 307.390 2.621 20 70 DFIDLO COc1cc[nH+]cc1NC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000159950941 425971855 /nfs/dbraw/zinc/97/18/55/425971855.db2.gz LHPNOFSBBRWUGG-UHFFFAOYSA-N 1 2 313.357 2.791 20 70 DFIDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)NCc1ccccc1 ZINC000160074736 425974386 /nfs/dbraw/zinc/97/43/86/425974386.db2.gz MAJBOZBXYKEIQR-ZDUSSCGKSA-N 1 2 316.376 2.801 20 70 DFIDLO C(C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)OCC1CC1 ZINC000160077262 425974486 /nfs/dbraw/zinc/97/44/86/425974486.db2.gz GJVAANUTLOZUND-HNNXBMFYSA-N 1 2 304.438 2.568 20 70 DFIDLO C(C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)OCC1CC1 ZINC000160077262 425974488 /nfs/dbraw/zinc/97/44/88/425974488.db2.gz GJVAANUTLOZUND-HNNXBMFYSA-N 1 2 304.438 2.568 20 70 DFIDLO O=C(CC1CCCCC1)N1CC[NH+](CCOCC2CC2)CC1 ZINC000160138766 425975879 /nfs/dbraw/zinc/97/58/79/425975879.db2.gz VGDORHLYUIRXMZ-UHFFFAOYSA-N 1 2 308.466 2.528 20 70 DFIDLO CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161480457 426025089 /nfs/dbraw/zinc/02/50/89/426025089.db2.gz HFVXEAYECBCYCA-NSHDSACASA-N 1 2 321.783 2.897 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000161045795 426006401 /nfs/dbraw/zinc/00/64/01/426006401.db2.gz GKKNIAAFDXVBKC-GFCCVEGCSA-N 1 2 318.808 2.979 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000161045795 426006404 /nfs/dbraw/zinc/00/64/04/426006404.db2.gz GKKNIAAFDXVBKC-GFCCVEGCSA-N 1 2 318.808 2.979 20 70 DFIDLO O=C(NC[C@H]1CC=CCC1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000161124177 426010528 /nfs/dbraw/zinc/01/05/28/426010528.db2.gz CEWUDBRETYXYOU-JKSUJKDBSA-N 1 2 314.433 2.706 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCCOC)cc1 ZINC000161276965 426016386 /nfs/dbraw/zinc/01/63/86/426016386.db2.gz IOOSHXKGWNZGQJ-QGZVFWFLSA-N 1 2 321.417 2.629 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCCOC)cc1 ZINC000161276965 426016388 /nfs/dbraw/zinc/01/63/88/426016388.db2.gz IOOSHXKGWNZGQJ-QGZVFWFLSA-N 1 2 321.417 2.629 20 70 DFIDLO CCCCNc1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000161361467 426020646 /nfs/dbraw/zinc/02/06/46/426020646.db2.gz CODUJPFMCGEHTG-UHFFFAOYSA-N 1 2 300.406 2.915 20 70 DFIDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160423333 277288833 /nfs/dbraw/zinc/28/88/33/277288833.db2.gz CRQUSQJHSKBOEL-GXTWGEPZSA-N 1 2 315.421 2.951 20 70 DFIDLO O=C(Cc1cn2ccccc2[nH+]1)NCCc1cc2ccccc2[nH]1 ZINC000159586493 295378633 /nfs/dbraw/zinc/37/86/33/295378633.db2.gz SVJXSMUDYYREOM-UHFFFAOYSA-N 1 2 318.380 2.717 20 70 DFIDLO CCOC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000159598501 295379150 /nfs/dbraw/zinc/37/91/50/295379150.db2.gz SNGTUOGJDNUDRI-UHFFFAOYSA-N 1 2 319.380 2.750 20 70 DFIDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000159673394 295380157 /nfs/dbraw/zinc/38/01/57/295380157.db2.gz RUDUDXWQSRNIHO-UHFFFAOYSA-N 1 2 323.849 2.887 20 70 DFIDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000159673394 295380160 /nfs/dbraw/zinc/38/01/60/295380160.db2.gz RUDUDXWQSRNIHO-UHFFFAOYSA-N 1 2 323.849 2.887 20 70 DFIDLO CC(C)c1ccc(-n2nnnc2SCCn2cc[nH+]c2)cc1 ZINC000159732387 295381004 /nfs/dbraw/zinc/38/10/04/295381004.db2.gz OTOZRZWQFUZJLC-UHFFFAOYSA-N 1 2 314.418 2.775 20 70 DFIDLO Cc1cc(C)cc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159978830 295384497 /nfs/dbraw/zinc/38/44/97/295384497.db2.gz JAWYLIPVJDBJOA-HNNXBMFYSA-N 1 2 322.474 2.696 20 70 DFIDLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000160356256 295390138 /nfs/dbraw/zinc/39/01/38/295390138.db2.gz VVUHSJPTKYPOMF-CXAGYDPISA-N 1 2 321.440 2.758 20 70 DFIDLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000160356256 295390142 /nfs/dbraw/zinc/39/01/42/295390142.db2.gz VVUHSJPTKYPOMF-CXAGYDPISA-N 1 2 321.440 2.758 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000161104876 295398717 /nfs/dbraw/zinc/39/87/17/295398717.db2.gz YIJOTZBKLAIOJX-CYBMUJFWSA-N 1 2 318.396 2.717 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000161104876 295398718 /nfs/dbraw/zinc/39/87/18/295398718.db2.gz YIJOTZBKLAIOJX-CYBMUJFWSA-N 1 2 318.396 2.717 20 70 DFIDLO CCC[N@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161116883 295398818 /nfs/dbraw/zinc/39/88/18/295398818.db2.gz WMOUZYKMTJHHNP-GFCCVEGCSA-N 1 2 319.829 2.878 20 70 DFIDLO CCC[N@@H+](Cc1ccc(Cl)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161116883 295398820 /nfs/dbraw/zinc/39/88/20/295398820.db2.gz WMOUZYKMTJHHNP-GFCCVEGCSA-N 1 2 319.829 2.878 20 70 DFIDLO CC[C@H](C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccc(F)cc1 ZINC000159597905 523796302 /nfs/dbraw/zinc/79/63/02/523796302.db2.gz IVSWDPSWGUOFSH-HOTGVXAUSA-N 1 2 315.392 2.955 20 70 DFIDLO Cc1cc(C#N)ccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000160418649 526191540 /nfs/dbraw/zinc/19/15/40/526191540.db2.gz NTKRIGWVUVOFNF-UHFFFAOYSA-N 1 2 316.364 2.982 20 70 DFIDLO C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[NH+](C2CC2)CC1 ZINC000159719786 186137517 /nfs/dbraw/zinc/13/75/17/186137517.db2.gz QMOBSRNEQUAINE-AWEZNQCLSA-N 1 2 312.417 2.501 20 70 DFIDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCOCC2CC2)o1 ZINC000159435260 398964874 /nfs/dbraw/zinc/96/48/74/398964874.db2.gz PXLOGGIVWBDYGM-KRWDZBQOSA-N 1 2 313.401 2.904 20 70 DFIDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCOCC2CC2)o1 ZINC000159435260 398964879 /nfs/dbraw/zinc/96/48/79/398964879.db2.gz PXLOGGIVWBDYGM-KRWDZBQOSA-N 1 2 313.401 2.904 20 70 DFIDLO Cc1[nH+]c2ccccn2c1CN(CCC#N)Cc1ccccn1 ZINC000160631427 398971310 /nfs/dbraw/zinc/97/13/10/398971310.db2.gz WVCQWDBVSZNSRP-UHFFFAOYSA-N 1 2 305.385 2.954 20 70 DFIDLO CC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc2ccccc2[nH]1 ZINC000161266069 398975655 /nfs/dbraw/zinc/97/56/55/398975655.db2.gz AUQWIBSVDWEUMH-CHWSQXEVSA-N 1 2 323.400 2.589 20 70 DFIDLO c1csc(-c2cc(CSCC[NH+]3CCOCC3)no2)c1 ZINC000159831342 197367131 /nfs/dbraw/zinc/36/71/31/197367131.db2.gz JPHDHQSLFYHCDZ-UHFFFAOYSA-N 1 2 310.444 2.969 20 70 DFIDLO FC(F)(F)c1csc(CSCC[NH+]2CCOCC2)n1 ZINC000159802474 197365801 /nfs/dbraw/zinc/36/58/01/197365801.db2.gz OBHCYEFWZKAUPJ-UHFFFAOYSA-N 1 2 312.382 2.727 20 70 DFIDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc(F)n1 ZINC000159493037 197357619 /nfs/dbraw/zinc/35/76/19/197357619.db2.gz VFXYPNLWUZESQR-UHFFFAOYSA-N 1 2 320.393 2.915 20 70 DFIDLO Cc1cc(C(=O)CSCC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000159762266 197362820 /nfs/dbraw/zinc/36/28/20/197362820.db2.gz RONGCRVJMNDADQ-UHFFFAOYSA-N 1 2 322.474 2.688 20 70 DFIDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)c1nc3ccccc3[nH]1)C2 ZINC000161316188 542728931 /nfs/dbraw/zinc/72/89/31/542728931.db2.gz AXAAOMRHXMRXQV-CMPLNLGQSA-N 1 2 323.400 2.577 20 70 DFIDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1nc3ccccc3[nH]1)CC2 ZINC000161316188 542728933 /nfs/dbraw/zinc/72/89/33/542728933.db2.gz AXAAOMRHXMRXQV-CMPLNLGQSA-N 1 2 323.400 2.577 20 70 DFIDLO C/C(=C/c1ccccc1)C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000217836821 542878006 /nfs/dbraw/zinc/87/80/06/542878006.db2.gz FQFNZZJMJHPOPS-VKAVYKQESA-N 1 2 321.424 2.943 20 70 DFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N(Cc1cccc(F)c1)C1CC1 ZINC000159402860 145219696 /nfs/dbraw/zinc/21/96/96/145219696.db2.gz KGYLKOWYUXHJLM-CQSZACIVSA-N 1 2 313.376 2.776 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2nccs2)n1 ZINC000159726904 145219924 /nfs/dbraw/zinc/21/99/24/145219924.db2.gz CCZRAVPLXODHGK-AWEZNQCLSA-N 1 2 316.430 2.646 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2nccs2)n1 ZINC000159726904 145219928 /nfs/dbraw/zinc/21/99/28/145219928.db2.gz CCZRAVPLXODHGK-AWEZNQCLSA-N 1 2 316.430 2.646 20 70 DFIDLO O=C(N[C@@H]1CCc2c1cccc2Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC000160423175 425981845 /nfs/dbraw/zinc/98/18/45/425981845.db2.gz VSOZQVVQWVKRMS-XHDPSFHLSA-N 1 2 315.804 2.903 20 70 DFIDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000160525076 425985326 /nfs/dbraw/zinc/98/53/26/425985326.db2.gz DAZLLMZJCALAGM-UHFFFAOYSA-N 1 2 315.314 2.767 20 70 DFIDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000160525076 425985329 /nfs/dbraw/zinc/98/53/29/425985329.db2.gz DAZLLMZJCALAGM-UHFFFAOYSA-N 1 2 315.314 2.767 20 70 DFIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000160607567 425990330 /nfs/dbraw/zinc/99/03/30/425990330.db2.gz GEHIOXRETGAXHL-BBRMVZONSA-N 1 2 319.449 2.762 20 70 DFIDLO Cc1cc(N2CCO[C@@H](c3nccs3)C2)c(C#N)c(C)[nH+]1 ZINC000160628749 425990382 /nfs/dbraw/zinc/99/03/82/425990382.db2.gz HDJBLJHSOSAJSC-CQSZACIVSA-N 1 2 300.387 2.605 20 70 DFIDLO Cn1c(C[N@H+](C)Cc2ccc(C#N)cc2)nnc1-c1ccccc1 ZINC000160770812 425995548 /nfs/dbraw/zinc/99/55/48/425995548.db2.gz KDWKQQZDQPYAGK-UHFFFAOYSA-N 1 2 317.396 2.986 20 70 DFIDLO Cn1c(C[N@@H+](C)Cc2ccc(C#N)cc2)nnc1-c1ccccc1 ZINC000160770812 425995550 /nfs/dbraw/zinc/99/55/50/425995550.db2.gz KDWKQQZDQPYAGK-UHFFFAOYSA-N 1 2 317.396 2.986 20 70 DFIDLO Cc1nc(N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc[nH+]1 ZINC000160920893 426001903 /nfs/dbraw/zinc/00/19/03/426001903.db2.gz JZFFTXSFUQKZSL-CQSZACIVSA-N 1 2 306.373 2.912 20 70 DFIDLO COc1nc(C)nc(NCCCCNc2cccc[nH+]2)c1C ZINC000159374472 425959074 /nfs/dbraw/zinc/95/90/74/425959074.db2.gz YQUBLKACMBNKNS-UHFFFAOYSA-N 1 2 301.394 2.801 20 70 DFIDLO C[N@@H+](Cc1noc(-c2cccc(Cl)c2)n1)C[C@H]1CCC[C@@H]1O ZINC000159450162 425960195 /nfs/dbraw/zinc/96/01/95/425960195.db2.gz AJTWVSPHBWQCTB-OCCSQVGLSA-N 1 2 321.808 2.983 20 70 DFIDLO C[N@H+](Cc1noc(-c2cccc(Cl)c2)n1)C[C@H]1CCC[C@@H]1O ZINC000159450162 425960200 /nfs/dbraw/zinc/96/02/00/425960200.db2.gz AJTWVSPHBWQCTB-OCCSQVGLSA-N 1 2 321.808 2.983 20 70 DFIDLO CC1(C)CCC(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000160239597 425977636 /nfs/dbraw/zinc/97/76/36/425977636.db2.gz HNFYAYJPOYGZOV-KRWDZBQOSA-N 1 2 322.493 2.916 20 70 DFIDLO CC(C)(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000161381369 426022521 /nfs/dbraw/zinc/02/25/21/426022521.db2.gz WFSUPOQEWDBLGD-CYBMUJFWSA-N 1 2 315.392 2.679 20 70 DFIDLO Cc1c(NC(=O)NCCCn2cc[nH+]c2)cnn1CCC(C)C ZINC000161419527 426023660 /nfs/dbraw/zinc/02/36/60/426023660.db2.gz CLFDJMJSBYHKOS-UHFFFAOYSA-N 1 2 318.425 2.646 20 70 DFIDLO Cc1sc2[nH]c(C[N@H+](C)C[C@@H]3CCCCO3)nc(=O)c2c1C ZINC000161449252 426024027 /nfs/dbraw/zinc/02/40/27/426024027.db2.gz WXSQFSCPSRDVGG-LBPRGKRZSA-N 1 2 321.446 2.602 20 70 DFIDLO Cc1sc2[nH]c(C[N@@H+](C)C[C@@H]3CCCCO3)nc(=O)c2c1C ZINC000161449252 426024029 /nfs/dbraw/zinc/02/40/29/426024029.db2.gz WXSQFSCPSRDVGG-LBPRGKRZSA-N 1 2 321.446 2.602 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C)C1CC1 ZINC000161465761 426025691 /nfs/dbraw/zinc/02/56/91/426025691.db2.gz CTFMEVGTXDBVJM-UHFFFAOYSA-N 1 2 302.378 2.709 20 70 DFIDLO CC(C)c1ncc(C(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000161149579 426009946 /nfs/dbraw/zinc/00/99/46/426009946.db2.gz LFTBDFIDJNPABR-UHFFFAOYSA-N 1 2 304.419 2.940 20 70 DFIDLO Cc1[nH]ncc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160208003 293136179 /nfs/dbraw/zinc/13/61/79/293136179.db2.gz RMNKKOBGIWJZIE-INIZCTEOSA-N 1 2 301.390 2.605 20 70 DFIDLO Cc1[nH]ncc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160208003 293136180 /nfs/dbraw/zinc/13/61/80/293136180.db2.gz RMNKKOBGIWJZIE-INIZCTEOSA-N 1 2 301.390 2.605 20 70 DFIDLO O=[S@@](Cc1[nH+]ccn1Cc1ccccc1)CC1CCOCC1 ZINC000159397631 295376188 /nfs/dbraw/zinc/37/61/88/295376188.db2.gz DKVFFTMBWGENLC-QFIPXVFZSA-N 1 2 318.442 2.607 20 70 DFIDLO C[S@@](=O)C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000159587397 295378551 /nfs/dbraw/zinc/37/85/51/295378551.db2.gz KDBARDWUNBHMQR-AOMKIAJQSA-N 1 2 313.426 2.544 20 70 DFIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000159575206 295378588 /nfs/dbraw/zinc/37/85/88/295378588.db2.gz QOZVKXSOMGTSDB-YGRLFVJLSA-N 1 2 319.792 2.609 20 70 DFIDLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159870764 295383216 /nfs/dbraw/zinc/38/32/16/295383216.db2.gz UTEWYZVYSABXBH-VXGBXAGGSA-N 1 2 312.377 2.625 20 70 DFIDLO CCCCn1ncc(NC(=O)N(C)CCCn2cc[nH+]c2)c1C ZINC000160115639 295386389 /nfs/dbraw/zinc/38/63/89/295386389.db2.gz AIQUVEYVFSOSOS-UHFFFAOYSA-N 1 2 318.425 2.742 20 70 DFIDLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nncn4C)CC3)c2c1 ZINC000160805773 295395406 /nfs/dbraw/zinc/39/54/06/295395406.db2.gz CKRAZYJHLLVROR-UHFFFAOYSA-N 1 2 323.400 2.594 20 70 DFIDLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nncn4C)CC3)c2c1 ZINC000160805773 295395408 /nfs/dbraw/zinc/39/54/08/295395408.db2.gz CKRAZYJHLLVROR-UHFFFAOYSA-N 1 2 323.400 2.594 20 70 DFIDLO Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161167725 295399465 /nfs/dbraw/zinc/39/94/65/295399465.db2.gz NEXDQXLNWXDXJA-CQSZACIVSA-N 1 2 322.412 2.594 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000161177452 295399470 /nfs/dbraw/zinc/39/94/70/295399470.db2.gz KVZZBDIYEZXGBA-AWEZNQCLSA-N 1 2 313.401 2.939 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000161177452 295399472 /nfs/dbraw/zinc/39/94/72/295399472.db2.gz KVZZBDIYEZXGBA-AWEZNQCLSA-N 1 2 313.401 2.939 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)CC(F)(F)F)n1 ZINC000159921108 302026475 /nfs/dbraw/zinc/02/64/75/302026475.db2.gz RVABPUCDVQSYQP-ZDUSSCGKSA-N 1 2 315.339 2.548 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)CC(F)(F)F)n1 ZINC000159921108 302026476 /nfs/dbraw/zinc/02/64/76/302026476.db2.gz RVABPUCDVQSYQP-ZDUSSCGKSA-N 1 2 315.339 2.548 20 70 DFIDLO C[N@H+](Cc1ncc(-c2ccccc2F)o1)[C@H]1CCCCNC1=O ZINC000160295593 523574179 /nfs/dbraw/zinc/57/41/79/523574179.db2.gz CKEFNPYTWUJOHD-AWEZNQCLSA-N 1 2 317.364 2.581 20 70 DFIDLO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)[C@H]1CCCCNC1=O ZINC000160295593 523574188 /nfs/dbraw/zinc/57/41/88/523574188.db2.gz CKEFNPYTWUJOHD-AWEZNQCLSA-N 1 2 317.364 2.581 20 70 DFIDLO c1cn(CCSc2nnc(-c3ccncc3)n2C2CC2)c[nH+]1 ZINC000159738108 186138541 /nfs/dbraw/zinc/13/85/41/186138541.db2.gz PBEKFGLPDDEFIS-UHFFFAOYSA-N 1 2 312.402 2.664 20 70 DFIDLO CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc2ccccc2[nH]1 ZINC000161265941 398975693 /nfs/dbraw/zinc/97/56/93/398975693.db2.gz AUQWIBSVDWEUMH-OLZOCXBDSA-N 1 2 323.400 2.589 20 70 DFIDLO N#Cc1cc(C[NH+]2CCN(c3ccccc3O)CC2)ccc1F ZINC000160490254 197416502 /nfs/dbraw/zinc/41/65/02/197416502.db2.gz BEFHBDOCHHOITL-UHFFFAOYSA-N 1 2 311.360 2.725 20 70 DFIDLO CCOCCC1(CNC(=O)Cc2cn3ccccc3[nH+]2)CCC1 ZINC000160241322 197395131 /nfs/dbraw/zinc/39/51/31/197395131.db2.gz PUQVXRBBCMQQTR-UHFFFAOYSA-N 1 2 315.417 2.590 20 70 DFIDLO CC(C)(C)c1nsc(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000160091423 197385526 /nfs/dbraw/zinc/38/55/26/197385526.db2.gz VUUDJPLUKTWWOH-NSHDSACASA-N 1 2 303.435 2.921 20 70 DFIDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159423366 197352685 /nfs/dbraw/zinc/35/26/85/197352685.db2.gz BHAPGKWHKRRFCE-SECBINFHSA-N 1 2 312.167 2.949 20 70 DFIDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159423366 197352687 /nfs/dbraw/zinc/35/26/87/197352687.db2.gz BHAPGKWHKRRFCE-SECBINFHSA-N 1 2 312.167 2.949 20 70 DFIDLO CC(C)CSCCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000160659871 425990776 /nfs/dbraw/zinc/99/07/76/425990776.db2.gz VGGUSKPFRIAIFQ-UHFFFAOYSA-N 1 2 318.446 2.776 20 70 DFIDLO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000160709989 425993568 /nfs/dbraw/zinc/99/35/68/425993568.db2.gz JGKKLUCUEWHQEW-UONOGXRCSA-N 1 2 311.376 2.808 20 70 DFIDLO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000160709989 425993570 /nfs/dbraw/zinc/99/35/70/425993570.db2.gz JGKKLUCUEWHQEW-UONOGXRCSA-N 1 2 311.376 2.808 20 70 DFIDLO CC[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702148 425993771 /nfs/dbraw/zinc/99/37/71/425993771.db2.gz YTGIQGDASYFYPW-VCTAVGKDSA-N 1 2 311.376 2.808 20 70 DFIDLO CC[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702148 425993773 /nfs/dbraw/zinc/99/37/73/425993773.db2.gz YTGIQGDASYFYPW-VCTAVGKDSA-N 1 2 311.376 2.808 20 70 DFIDLO Cc1ccc(O)c(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)n1 ZINC000160922824 426002215 /nfs/dbraw/zinc/00/22/15/426002215.db2.gz DYUMKBPBUSFTQK-UHFFFAOYSA-N 1 2 313.401 2.783 20 70 DFIDLO Cc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)n1 ZINC000160922824 426002217 /nfs/dbraw/zinc/00/22/17/426002217.db2.gz DYUMKBPBUSFTQK-UHFFFAOYSA-N 1 2 313.401 2.783 20 70 DFIDLO C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159392287 425958660 /nfs/dbraw/zinc/95/86/60/425958660.db2.gz QEEYXXAGQDRVLC-QWHCGFSZSA-N 1 2 301.365 2.804 20 70 DFIDLO COc1nc(C)nc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1C ZINC000159392190 425958936 /nfs/dbraw/zinc/95/89/36/425958936.db2.gz QMLNLACGUJTPEC-UHFFFAOYSA-N 1 2 315.421 2.522 20 70 DFIDLO CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000159627852 425964429 /nfs/dbraw/zinc/96/44/29/425964429.db2.gz GTMCYLHVIXRTHP-WMZOPIPTSA-N 1 2 316.445 2.827 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccs2)n1 ZINC000159926637 425969995 /nfs/dbraw/zinc/96/99/95/425969995.db2.gz URZCOQRRAVNNNW-MRXNPFEDSA-N 1 2 315.442 2.905 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2cccs2)n1 ZINC000159926637 425969999 /nfs/dbraw/zinc/96/99/99/425969999.db2.gz URZCOQRRAVNNNW-MRXNPFEDSA-N 1 2 315.442 2.905 20 70 DFIDLO CC(C)Oc1ccccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160216284 425976001 /nfs/dbraw/zinc/97/60/01/425976001.db2.gz XIOZITNZPGIAEY-CQSZACIVSA-N 1 2 313.401 2.549 20 70 DFIDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccccn1 ZINC000160193172 425976877 /nfs/dbraw/zinc/97/68/77/425976877.db2.gz JJWQRDZMRRMZSA-UHFFFAOYSA-N 1 2 312.402 2.515 20 70 DFIDLO COC(=O)c1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161435980 426023876 /nfs/dbraw/zinc/02/38/76/426023876.db2.gz ZQOKVNSIOKHFDM-CQSZACIVSA-N 1 2 318.398 2.503 20 70 DFIDLO COC(=O)c1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161435980 426023878 /nfs/dbraw/zinc/02/38/78/426023878.db2.gz ZQOKVNSIOKHFDM-CQSZACIVSA-N 1 2 318.398 2.503 20 70 DFIDLO COCCOc1ccc([NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161093769 426009077 /nfs/dbraw/zinc/00/90/77/426009077.db2.gz CTOZHNPCIKNDIR-UHFFFAOYSA-N 1 2 306.406 2.571 20 70 DFIDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161135573 426009908 /nfs/dbraw/zinc/00/99/08/426009908.db2.gz PDUPSPVCGVBAGC-INIZCTEOSA-N 1 2 316.449 2.654 20 70 DFIDLO CSCCc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161287422 426017236 /nfs/dbraw/zinc/01/72/36/426017236.db2.gz NUFSDCAUUFDTAG-AWEZNQCLSA-N 1 2 315.442 2.990 20 70 DFIDLO OC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c(F)c1 ZINC000159926800 295384016 /nfs/dbraw/zinc/38/40/16/295384016.db2.gz UESMSCNHWUKAKI-LLVKDONJSA-N 1 2 302.187 2.935 20 70 DFIDLO OC[C@H]1CCCC[N@H+]1Cc1ccc(Br)c(F)c1 ZINC000159926800 295384019 /nfs/dbraw/zinc/38/40/19/295384019.db2.gz UESMSCNHWUKAKI-LLVKDONJSA-N 1 2 302.187 2.935 20 70 DFIDLO Cc1ccsc1[C@@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160375207 295390783 /nfs/dbraw/zinc/39/07/83/295390783.db2.gz DHPRQZCQAGQIAX-LLVKDONJSA-N 1 2 321.450 2.576 20 70 DFIDLO Cc1ccsc1[C@@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160375207 295390784 /nfs/dbraw/zinc/39/07/84/295390784.db2.gz DHPRQZCQAGQIAX-LLVKDONJSA-N 1 2 321.450 2.576 20 70 DFIDLO Cc1[nH+]c2ccccn2c1CN1CCC(=O)Nc2ccccc21 ZINC000160467748 295391694 /nfs/dbraw/zinc/39/16/94/295391694.db2.gz FJFOROLXHGCINY-UHFFFAOYSA-N 1 2 306.369 2.992 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000161098628 295398426 /nfs/dbraw/zinc/39/84/26/295398426.db2.gz AEYKMPVGPHMPKQ-OAHLLOKOSA-N 1 2 318.465 2.637 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000161098628 295398428 /nfs/dbraw/zinc/39/84/28/295398428.db2.gz AEYKMPVGPHMPKQ-OAHLLOKOSA-N 1 2 318.465 2.637 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000161114782 295399065 /nfs/dbraw/zinc/39/90/65/295399065.db2.gz RRTZWRDEZJLPOE-CYBMUJFWSA-N 1 2 318.396 2.717 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000161114782 295399066 /nfs/dbraw/zinc/39/90/66/295399066.db2.gz RRTZWRDEZJLPOE-CYBMUJFWSA-N 1 2 318.396 2.717 20 70 DFIDLO Cc1ccc(C#N)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000160315132 197399817 /nfs/dbraw/zinc/39/98/17/197399817.db2.gz OSPKLYMLRYTIIA-SFHVURJKSA-N 1 2 322.412 2.575 20 70 DFIDLO Cc1ccc(C#N)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000160315132 197399818 /nfs/dbraw/zinc/39/98/18/197399818.db2.gz OSPKLYMLRYTIIA-SFHVURJKSA-N 1 2 322.412 2.575 20 70 DFIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)C1CCOCC1 ZINC000160171118 197390345 /nfs/dbraw/zinc/39/03/45/197390345.db2.gz MRPYIVPURDELDH-ZDUSSCGKSA-N 1 2 315.417 2.524 20 70 DFIDLO C[C@@H](c1ccccn1)[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000160090798 197385328 /nfs/dbraw/zinc/38/53/28/197385328.db2.gz PUWXLJLWSNOLIS-LBPRGKRZSA-N 1 2 315.446 2.694 20 70 DFIDLO O=C(Nc1ccc(F)c(F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159913448 197373014 /nfs/dbraw/zinc/37/30/14/197373014.db2.gz JHPANCLAEJRQMS-LBPRGKRZSA-N 1 2 318.327 2.760 20 70 DFIDLO CN(C)c1cccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000159851953 197369410 /nfs/dbraw/zinc/36/94/10/197369410.db2.gz SSRFVCZYTMJDFI-KRWDZBQOSA-N 1 2 315.392 2.550 20 70 DFIDLO CN(C)c1cccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000159851953 197369412 /nfs/dbraw/zinc/36/94/12/197369412.db2.gz SSRFVCZYTMJDFI-KRWDZBQOSA-N 1 2 315.392 2.550 20 70 DFIDLO CCCn1c(C)cc(C(=O)CSCC[NH+]2CCOCC2)c1C ZINC000159767586 197362500 /nfs/dbraw/zinc/36/25/00/197362500.db2.gz MKUFVLOWGUFJNT-UHFFFAOYSA-N 1 2 324.490 2.763 20 70 DFIDLO C[C@H](O)C[N@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000159539193 197360823 /nfs/dbraw/zinc/36/08/23/197360823.db2.gz ZQVQSNCJCRHRME-QWRGUYRKSA-N 1 2 309.797 2.687 20 70 DFIDLO C[C@H](O)C[N@@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000159539193 197360825 /nfs/dbraw/zinc/36/08/25/197360825.db2.gz ZQVQSNCJCRHRME-QWRGUYRKSA-N 1 2 309.797 2.687 20 70 DFIDLO O=C(c1ccc(Cl)o1)N1CC[NH+](Cc2cccs2)CC1 ZINC000218177246 146000457 /nfs/dbraw/zinc/00/04/57/146000457.db2.gz QTOLJVMKLGWOIR-UHFFFAOYSA-N 1 2 310.806 2.953 20 70 DFIDLO CC[C@H](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160430077 425983345 /nfs/dbraw/zinc/98/33/45/425983345.db2.gz GDFNKSYTRBJJIK-JKSUJKDBSA-N 1 2 318.465 2.734 20 70 DFIDLO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)[C@@H]2CC2(C)C)c2cccs2)CCO1 ZINC000160535471 425986192 /nfs/dbraw/zinc/98/61/92/425986192.db2.gz VOPCYDFFXZMDCN-RDBSUJKOSA-N 1 2 322.474 2.672 20 70 DFIDLO C[C@@H]1C[N@H+]([C@@H](CNC(=O)[C@@H]2CC2(C)C)c2cccs2)CCO1 ZINC000160535471 425986194 /nfs/dbraw/zinc/98/61/94/425986194.db2.gz VOPCYDFFXZMDCN-RDBSUJKOSA-N 1 2 322.474 2.672 20 70 DFIDLO Cc1csc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000160824705 425997684 /nfs/dbraw/zinc/99/76/84/425997684.db2.gz OIGJSOGGWVTQPV-UHFFFAOYSA-N 1 2 316.405 2.785 20 70 DFIDLO CCc1oc(C(=O)OC)cc1C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000159367481 425959658 /nfs/dbraw/zinc/95/96/58/425959658.db2.gz JJNOWUTUDXSBGM-UHFFFAOYSA-N 1 2 323.389 2.546 20 70 DFIDLO CCc1oc(C(=O)OC)cc1C[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000159367481 425959660 /nfs/dbraw/zinc/95/96/60/425959660.db2.gz JJNOWUTUDXSBGM-UHFFFAOYSA-N 1 2 323.389 2.546 20 70 DFIDLO Cc1cccc([C@H](C)C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000159553062 425963230 /nfs/dbraw/zinc/96/32/30/425963230.db2.gz UVXPCYNUZHQNQF-HNNXBMFYSA-N 1 2 311.429 2.990 20 70 DFIDLO CC[C@@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1c(C)noc1C ZINC000159991634 425971954 /nfs/dbraw/zinc/97/19/54/425971954.db2.gz JSAZKEMQHSGFNR-CHWSQXEVSA-N 1 2 302.378 2.633 20 70 DFIDLO Cc1ccc(N2CC[C@H]([NH+]3CCC(c4ccn[nH]4)CC3)C2=O)cc1 ZINC000160071968 425974058 /nfs/dbraw/zinc/97/40/58/425974058.db2.gz JONRMSSOLGQUGP-SFHVURJKSA-N 1 2 324.428 2.703 20 70 DFIDLO O=C(C1=COCCC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161377042 426022433 /nfs/dbraw/zinc/02/24/33/426022433.db2.gz XPSCXMNWVIQYLT-UHFFFAOYSA-N 1 2 320.820 2.679 20 70 DFIDLO Cc1cc(-c2nnc(C[N@H+]3C[C@H](C)OC(C)(C)C3)o2)c(C)o1 ZINC000161466819 426025875 /nfs/dbraw/zinc/02/58/75/426025875.db2.gz CFXITLYFOVRHBM-NSHDSACASA-N 1 2 305.378 2.946 20 70 DFIDLO Cc1cc(-c2nnc(C[N@@H+]3C[C@H](C)OC(C)(C)C3)o2)c(C)o1 ZINC000161466819 426025877 /nfs/dbraw/zinc/02/58/77/426025877.db2.gz CFXITLYFOVRHBM-NSHDSACASA-N 1 2 305.378 2.946 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000161143496 426009714 /nfs/dbraw/zinc/00/97/14/426009714.db2.gz YUYROWAGRXIWLC-SFHVURJKSA-N 1 2 309.413 2.923 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000161143496 426009716 /nfs/dbraw/zinc/00/97/16/426009716.db2.gz YUYROWAGRXIWLC-SFHVURJKSA-N 1 2 309.413 2.923 20 70 DFIDLO Cc1ccc2cccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)c2n1 ZINC000161252438 426014750 /nfs/dbraw/zinc/01/47/50/426014750.db2.gz KDMYAPWQKBSPGM-AWEZNQCLSA-N 1 2 306.369 2.941 20 70 DFIDLO CCC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161328385 426018792 /nfs/dbraw/zinc/01/87/92/426018792.db2.gz KTLZSANVJMBZIJ-IAGOWNOFSA-N 1 2 311.429 2.973 20 70 DFIDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCCO1 ZINC000161333315 426019514 /nfs/dbraw/zinc/01/95/14/426019514.db2.gz SJAYQFBVJKTKFR-KRWDZBQOSA-N 1 2 322.836 2.553 20 70 DFIDLO C[S@](=O)C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000159587795 295378611 /nfs/dbraw/zinc/37/86/11/295378611.db2.gz KDBARDWUNBHMQR-OPAMFIHVSA-N 1 2 313.426 2.544 20 70 DFIDLO Cc1cc(C(=O)C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(C)[nH]1 ZINC000159665663 295379926 /nfs/dbraw/zinc/37/99/26/295379926.db2.gz UIAMUKKWAVLSJQ-FQEVSTJZSA-N 1 2 324.424 2.988 20 70 DFIDLO Cc1cc(C(=O)C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(C)[nH]1 ZINC000159665663 295379927 /nfs/dbraw/zinc/37/99/27/295379927.db2.gz UIAMUKKWAVLSJQ-FQEVSTJZSA-N 1 2 324.424 2.988 20 70 DFIDLO c1csc(-c2cnc(CSCC[NH+]3CCOCC3)o2)c1 ZINC000159805613 295382039 /nfs/dbraw/zinc/38/20/39/295382039.db2.gz OVBACWNOPUWRHU-UHFFFAOYSA-N 1 2 310.444 2.969 20 70 DFIDLO CC[C@]1(C)C[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159835709 295382536 /nfs/dbraw/zinc/38/25/36/295382536.db2.gz NWBLTMHARXDKEK-IEBWSBKVSA-N 1 2 316.445 2.646 20 70 DFIDLO CC[C@@]1(C)C[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159836108 295382728 /nfs/dbraw/zinc/38/27/28/295382728.db2.gz NWBLTMHARXDKEK-HKUYNNGSSA-N 1 2 316.445 2.646 20 70 DFIDLO CCC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)OCC ZINC000159856667 295382945 /nfs/dbraw/zinc/38/29/45/295382945.db2.gz OIMXZFWCSHSAKX-CZUORRHYSA-N 1 2 316.405 2.650 20 70 DFIDLO Cc1cc(C)cc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159978668 295384489 /nfs/dbraw/zinc/38/44/89/295384489.db2.gz JAWYLIPVJDBJOA-OAHLLOKOSA-N 1 2 322.474 2.696 20 70 DFIDLO CCc1cccc(C)c1NC(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161077131 295398501 /nfs/dbraw/zinc/39/85/01/295398501.db2.gz NTYDJFRVMNUFKZ-UHFFFAOYSA-N 1 2 314.433 2.752 20 70 DFIDLO CCc1cccc(C)c1NC(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161077131 295398503 /nfs/dbraw/zinc/39/85/03/295398503.db2.gz NTYDJFRVMNUFKZ-UHFFFAOYSA-N 1 2 314.433 2.752 20 70 DFIDLO CCC[N@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000161114761 295398861 /nfs/dbraw/zinc/39/88/61/295398861.db2.gz ABBOGTSNZPKOSG-LLVKDONJSA-N 1 2 321.364 2.503 20 70 DFIDLO CCC[N@@H+](Cc1cc(F)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000161114761 295398862 /nfs/dbraw/zinc/39/88/62/295398862.db2.gz ABBOGTSNZPKOSG-LLVKDONJSA-N 1 2 321.364 2.503 20 70 DFIDLO C[S@@](=O)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000159576345 186128347 /nfs/dbraw/zinc/12/83/47/186128347.db2.gz QJBMGWXEUCAFGF-ZSEKCTLFSA-N 1 2 324.427 2.866 20 70 DFIDLO COC(=O)C[N@H+](Cc1ccc(OC)cc1OC)C1CCCC1 ZINC000159776000 291081235 /nfs/dbraw/zinc/08/12/35/291081235.db2.gz HPJNCQAUMRAQJK-UHFFFAOYSA-N 1 2 307.390 2.621 20 70 DFIDLO COC(=O)C[N@@H+](Cc1ccc(OC)cc1OC)C1CCCC1 ZINC000159776000 291081240 /nfs/dbraw/zinc/08/12/40/291081240.db2.gz HPJNCQAUMRAQJK-UHFFFAOYSA-N 1 2 307.390 2.621 20 70 DFIDLO CCC[N@@H+](Cc1csnn1)C[C@@H]1COc2ccccc2O1 ZINC000161425624 283298467 /nfs/dbraw/zinc/29/84/67/283298467.db2.gz LJRAYBYYFXQBIG-CYBMUJFWSA-N 1 2 305.403 2.590 20 70 DFIDLO CCC[N@H+](Cc1csnn1)C[C@@H]1COc2ccccc2O1 ZINC000161425624 283298473 /nfs/dbraw/zinc/29/84/73/283298473.db2.gz LJRAYBYYFXQBIG-CYBMUJFWSA-N 1 2 305.403 2.590 20 70 DFIDLO CCc1nnc(C[N@@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)[nH]1 ZINC000160167210 197390578 /nfs/dbraw/zinc/39/05/78/197390578.db2.gz YQHDJLXLJQJTDI-ZDUSSCGKSA-N 1 2 324.432 2.931 20 70 DFIDLO CCc1nnc(C[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)[nH]1 ZINC000160167210 197390579 /nfs/dbraw/zinc/39/05/79/197390579.db2.gz YQHDJLXLJQJTDI-ZDUSSCGKSA-N 1 2 324.432 2.931 20 70 DFIDLO CC(C)c1nsc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)n1 ZINC000160086267 197384309 /nfs/dbraw/zinc/38/43/09/197384309.db2.gz BZCUKUNFWCYYFS-CYBMUJFWSA-N 1 2 317.462 2.940 20 70 DFIDLO Cc1cccc(C)c1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159920066 197373593 /nfs/dbraw/zinc/37/35/93/197373593.db2.gz JFCYSCSCSNDZGE-HNNXBMFYSA-N 1 2 322.474 2.696 20 70 DFIDLO CN(C)c1cccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000159852077 197369427 /nfs/dbraw/zinc/36/94/27/197369427.db2.gz SSRFVCZYTMJDFI-QGZVFWFLSA-N 1 2 315.392 2.550 20 70 DFIDLO CN(C)c1cccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000159852077 197369429 /nfs/dbraw/zinc/36/94/29/197369429.db2.gz SSRFVCZYTMJDFI-QGZVFWFLSA-N 1 2 315.392 2.550 20 70 DFIDLO Cc1ccc(C)c(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159832173 197367055 /nfs/dbraw/zinc/36/70/55/197367055.db2.gz VDHOYPZBNUFPHP-HNNXBMFYSA-N 1 2 322.474 2.696 20 70 DFIDLO CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H](C)c1ccncc1 ZINC000159717688 542719564 /nfs/dbraw/zinc/71/95/64/542719564.db2.gz HQAJNVGTUIWASJ-CQSZACIVSA-N 1 2 300.406 2.744 20 70 DFIDLO CCC(CC)C(=O)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000160104090 542721112 /nfs/dbraw/zinc/72/11/12/542721112.db2.gz AOCOTACRAPDADV-UHFFFAOYSA-N 1 2 300.406 2.648 20 70 DFIDLO O[C@H](C1CC[NH+](Cc2noc3c2CCCC3)CC1)C(F)(F)F ZINC000161509224 542730417 /nfs/dbraw/zinc/73/04/17/542730417.db2.gz DUEOKNVVYMLTEF-CQSZACIVSA-N 1 2 318.339 2.689 20 70 DFIDLO Cc1cc(-c2nnc(C[N@H+]3C[C@@H](C)OC(C)(C)C3)o2)c(C)o1 ZINC000161466952 267547146 /nfs/dbraw/zinc/54/71/46/267547146.db2.gz CFXITLYFOVRHBM-LLVKDONJSA-N 1 2 305.378 2.946 20 70 DFIDLO Cc1cc(-c2nnc(C[N@@H+]3C[C@@H](C)OC(C)(C)C3)o2)c(C)o1 ZINC000161466952 267547150 /nfs/dbraw/zinc/54/71/50/267547150.db2.gz CFXITLYFOVRHBM-LLVKDONJSA-N 1 2 305.378 2.946 20 70 DFIDLO Cc1ccc(/C=C\C(=O)NCc2[nH]cc[nH+]2)c(Br)c1 ZINC000217008204 268138653 /nfs/dbraw/zinc/13/86/53/268138653.db2.gz VEVTUSCLEKRBCN-PLNGDYQASA-N 1 2 320.190 2.810 20 70 DFIDLO O=[S@@](Cc1nccs1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000160397594 425982186 /nfs/dbraw/zinc/98/21/86/425982186.db2.gz KQTZDQOKZWJECC-NRFANRHFSA-N 1 2 317.439 2.837 20 70 DFIDLO Cc1noc(C)c1[C@@H](C)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000160482104 425983947 /nfs/dbraw/zinc/98/39/47/425983947.db2.gz HQXHRFXLIHCNRJ-LBPRGKRZSA-N 1 2 304.394 2.530 20 70 DFIDLO Cc1nc(C)n(C[C@@H]2CCCN(c3cc(C)[nH+]c(C)c3C#N)C2)n1 ZINC000160693127 425991877 /nfs/dbraw/zinc/99/18/77/425991877.db2.gz ZBHSAFQZGQSHPT-MRXNPFEDSA-N 1 2 324.432 2.695 20 70 DFIDLO COc1ccc(OCC[N@H+](C)Cc2nccn2C(C)C)cc1 ZINC000160701324 425993755 /nfs/dbraw/zinc/99/37/55/425993755.db2.gz AIRJYDXPPCMBNG-UHFFFAOYSA-N 1 2 303.406 2.983 20 70 DFIDLO COc1ccc(OCC[N@@H+](C)Cc2nccn2C(C)C)cc1 ZINC000160701324 425993757 /nfs/dbraw/zinc/99/37/57/425993757.db2.gz AIRJYDXPPCMBNG-UHFFFAOYSA-N 1 2 303.406 2.983 20 70 DFIDLO Cc1nc(CN2CCN(Cc3[nH+]ccn3C(C)C)CC2)cs1 ZINC000160753648 425994483 /nfs/dbraw/zinc/99/44/83/425994483.db2.gz DQMQJSNQIGOEQT-UHFFFAOYSA-N 1 2 319.478 2.547 20 70 DFIDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160880810 426000770 /nfs/dbraw/zinc/00/07/70/426000770.db2.gz GCBSAPYMWAVSLQ-KRWDZBQOSA-N 1 2 320.396 2.532 20 70 DFIDLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 ZINC000159388698 425959416 /nfs/dbraw/zinc/95/94/16/425959416.db2.gz KNFOGORZLOHOID-NHYWBVRUSA-N 1 2 315.398 2.610 20 70 DFIDLO CCOCCC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000159438619 425959900 /nfs/dbraw/zinc/95/99/00/425959900.db2.gz MYZBXAWJXRIRRQ-INIZCTEOSA-N 1 2 301.390 2.904 20 70 DFIDLO CCOCCC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000159438619 425959904 /nfs/dbraw/zinc/95/99/04/425959904.db2.gz MYZBXAWJXRIRRQ-INIZCTEOSA-N 1 2 301.390 2.904 20 70 DFIDLO CC#CC[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000159557768 425963463 /nfs/dbraw/zinc/96/34/63/425963463.db2.gz HGMZPBQOSDNGEZ-UHFFFAOYSA-N 1 2 322.408 2.576 20 70 DFIDLO CC#CC[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000159557768 425963465 /nfs/dbraw/zinc/96/34/65/425963465.db2.gz HGMZPBQOSDNGEZ-UHFFFAOYSA-N 1 2 322.408 2.576 20 70 DFIDLO O=C(NCCc1ccc2ccccc2c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159816158 425968107 /nfs/dbraw/zinc/96/81/07/425968107.db2.gz KZJFHYMSYUSYFZ-SFHVURJKSA-N 1 2 319.408 2.958 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)CC(F)(F)F)n1 ZINC000159921255 425970226 /nfs/dbraw/zinc/97/02/26/425970226.db2.gz RVABPUCDVQSYQP-CYBMUJFWSA-N 1 2 315.339 2.548 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)CC(F)(F)F)n1 ZINC000159921255 425970229 /nfs/dbraw/zinc/97/02/29/425970229.db2.gz RVABPUCDVQSYQP-CYBMUJFWSA-N 1 2 315.339 2.548 20 70 DFIDLO Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000159924679 425970389 /nfs/dbraw/zinc/97/03/89/425970389.db2.gz ZZKXXEHCKBRTHL-WFASDCNBSA-N 1 2 315.398 2.610 20 70 DFIDLO O=C([C@@H]1CCCCO1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000159981998 425972256 /nfs/dbraw/zinc/97/22/56/425972256.db2.gz ANRAWAJJZALXSD-INIZCTEOSA-N 1 2 322.836 2.553 20 70 DFIDLO COc1c(C[NH2+]Cc2c(Cl)cccc2OC)c(C)nn1C ZINC000160121098 425974967 /nfs/dbraw/zinc/97/49/67/425974967.db2.gz YUUWXDNDTYSGSZ-UHFFFAOYSA-N 1 2 309.797 2.689 20 70 DFIDLO CCc1nnc(C[NH+]2CCC(OCc3ccccc3F)CC2)[nH]1 ZINC000160225796 425977705 /nfs/dbraw/zinc/97/77/05/425977705.db2.gz FUGBXUMMAMEPGA-UHFFFAOYSA-N 1 2 318.396 2.687 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000161246875 426015260 /nfs/dbraw/zinc/01/52/60/426015260.db2.gz LIGNWPQUMJSPRA-HNNXBMFYSA-N 1 2 319.401 2.766 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000161246875 426015263 /nfs/dbraw/zinc/01/52/63/426015263.db2.gz LIGNWPQUMJSPRA-HNNXBMFYSA-N 1 2 319.401 2.766 20 70 DFIDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(F)c1F ZINC000159440429 295376883 /nfs/dbraw/zinc/37/68/83/295376883.db2.gz WUUXTFWIRAABTA-MGPLVRAMSA-N 1 2 315.323 2.714 20 70 DFIDLO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000159463688 295377424 /nfs/dbraw/zinc/37/74/24/295377424.db2.gz FURABCPLNVEQHN-JKIFEVAISA-N 1 2 322.474 2.674 20 70 DFIDLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159870634 295382903 /nfs/dbraw/zinc/38/29/03/295382903.db2.gz UTEWYZVYSABXBH-RYUDHWBXSA-N 1 2 312.377 2.625 20 70 DFIDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)o1 ZINC000159873598 295382964 /nfs/dbraw/zinc/38/29/64/295382964.db2.gz WBLYLRJDQOLXGA-NEPJUHHUSA-N 1 2 312.377 2.625 20 70 DFIDLO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159870907 295383178 /nfs/dbraw/zinc/38/31/78/295383178.db2.gz UTEWYZVYSABXBH-NEPJUHHUSA-N 1 2 312.377 2.625 20 70 DFIDLO CC(C)C[C@@H](CCO)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160226635 295388504 /nfs/dbraw/zinc/38/85/04/295388504.db2.gz UBMWOVBRVFHCET-CYBMUJFWSA-N 1 2 309.458 2.518 20 70 DFIDLO CC(C)C[C@@H](CCO)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160226635 295388505 /nfs/dbraw/zinc/38/85/05/295388505.db2.gz UBMWOVBRVFHCET-CYBMUJFWSA-N 1 2 309.458 2.518 20 70 DFIDLO Cc1cccc2nc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)[nH]c21 ZINC000160577917 295392923 /nfs/dbraw/zinc/39/29/23/295392923.db2.gz ULMBZSIXXVECFS-GOSISDBHSA-N 1 2 322.412 2.790 20 70 DFIDLO CSC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000217858191 337081913 /nfs/dbraw/zinc/08/19/13/337081913.db2.gz PRTONERJCYJBGC-GFCCVEGCSA-N 1 2 310.246 2.903 20 70 DFIDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000218100300 398346020 /nfs/dbraw/zinc/34/60/20/398346020.db2.gz SJDWUHWYDACZBU-CQSZACIVSA-N 1 2 300.337 2.621 20 70 DFIDLO O[C@H](C[NH+]1CCN(c2cccs2)CC1)c1cc(F)ccc1F ZINC000160303521 197399436 /nfs/dbraw/zinc/39/94/36/197399436.db2.gz MPXRCSAOUNGORR-OAHLLOKOSA-N 1 2 324.396 2.882 20 70 DFIDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccnn2C)CC1 ZINC000159765295 197362969 /nfs/dbraw/zinc/36/29/69/197362969.db2.gz HCDRGIOXCQIDHZ-UHFFFAOYSA-N 1 2 304.825 2.704 20 70 DFIDLO CCc1nnc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)[nH]1 ZINC000159419163 197352760 /nfs/dbraw/zinc/35/27/60/197352760.db2.gz XINHOQQOYPNQMM-CQSZACIVSA-N 1 2 316.380 2.744 20 70 DFIDLO CCc1nnc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)[nH]1 ZINC000159419163 197352762 /nfs/dbraw/zinc/35/27/62/197352762.db2.gz XINHOQQOYPNQMM-CQSZACIVSA-N 1 2 316.380 2.744 20 70 DFIDLO COCc1ccc([C@@H]2CCCN2C(=O)CCCn2cc[nH+]c2)o1 ZINC000161225581 542727932 /nfs/dbraw/zinc/72/79/32/542727932.db2.gz DPZJJUIYBTWHQD-HNNXBMFYSA-N 1 2 317.389 2.766 20 70 DFIDLO CC(C)(C)c1nc(CCNC(=O)CCCn2cc[nH+]c2)cs1 ZINC000160651799 542724239 /nfs/dbraw/zinc/72/42/39/542724239.db2.gz CNOHUKWGZDSWAE-UHFFFAOYSA-N 1 2 320.462 2.776 20 70 DFIDLO CCc1nnc(C[NH2+]C2(c3ccc(Br)cc3)CC2)[nH]1 ZINC000160374348 425980736 /nfs/dbraw/zinc/98/07/36/425980736.db2.gz IPBSKGNFOWSIRF-UHFFFAOYSA-N 1 2 321.222 2.909 20 70 DFIDLO Cc1noc(C)c1[C@H](C)CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000160482232 425984140 /nfs/dbraw/zinc/98/41/40/425984140.db2.gz HQXHRFXLIHCNRJ-GFCCVEGCSA-N 1 2 304.394 2.530 20 70 DFIDLO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160599661 425988471 /nfs/dbraw/zinc/98/84/71/425988471.db2.gz WIUXRZFUFHLSPH-HNNXBMFYSA-N 1 2 315.421 2.946 20 70 DFIDLO Cc1noc(C)c1C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160599661 425988473 /nfs/dbraw/zinc/98/84/73/425988473.db2.gz WIUXRZFUFHLSPH-HNNXBMFYSA-N 1 2 315.421 2.946 20 70 DFIDLO CC(C)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160700521 425993702 /nfs/dbraw/zinc/99/37/02/425993702.db2.gz JYDVMYGYIVKPQR-LSDHHAIUSA-N 1 2 311.376 2.665 20 70 DFIDLO CC(C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160700521 425993705 /nfs/dbraw/zinc/99/37/05/425993705.db2.gz JYDVMYGYIVKPQR-LSDHHAIUSA-N 1 2 311.376 2.665 20 70 DFIDLO O=C(NCCCn1cc[nH+]c1)N1CCc2c(Cl)cccc2C1 ZINC000160783802 425996806 /nfs/dbraw/zinc/99/68/06/425996806.db2.gz ABPSNWAYAGVQAZ-UHFFFAOYSA-N 1 2 318.808 2.695 20 70 DFIDLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 ZINC000159388960 425959554 /nfs/dbraw/zinc/95/95/54/425959554.db2.gz KNFOGORZLOHOID-XHDPSFHLSA-N 1 2 315.398 2.610 20 70 DFIDLO COc1ccccc1-c1nnc(C[N@H+](C)C[C@@H]2CCCCO2)o1 ZINC000159539117 425961339 /nfs/dbraw/zinc/96/13/39/425961339.db2.gz YUKJPKRAVGEHOT-ZDUSSCGKSA-N 1 2 317.389 2.746 20 70 DFIDLO COc1ccccc1-c1nnc(C[N@@H+](C)C[C@@H]2CCCCO2)o1 ZINC000159539117 425961344 /nfs/dbraw/zinc/96/13/44/425961344.db2.gz YUKJPKRAVGEHOT-ZDUSSCGKSA-N 1 2 317.389 2.746 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)n1 ZINC000159839032 425968855 /nfs/dbraw/zinc/96/88/55/425968855.db2.gz BGOAOIOXMGZFKF-INIZCTEOSA-N 1 2 310.463 2.740 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CCCS(=O)(=O)C(C)C)n1 ZINC000159839032 425968858 /nfs/dbraw/zinc/96/88/58/425968858.db2.gz BGOAOIOXMGZFKF-INIZCTEOSA-N 1 2 310.463 2.740 20 70 DFIDLO CC(C)(C)c1nsc(N2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000159961715 425971729 /nfs/dbraw/zinc/97/17/29/425971729.db2.gz HZVZGCHCQJZFAM-LBPRGKRZSA-N 1 2 304.419 2.888 20 70 DFIDLO Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4ccn[nH]4)CC3)C2=O)cc1 ZINC000160072070 425974077 /nfs/dbraw/zinc/97/40/77/425974077.db2.gz JONRMSSOLGQUGP-GOSISDBHSA-N 1 2 324.428 2.703 20 70 DFIDLO C[NH+](C)Cc1cccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000160111628 425974638 /nfs/dbraw/zinc/97/46/38/425974638.db2.gz PJMIMGHYIWKSGP-UHFFFAOYSA-N 1 2 321.384 2.786 20 70 DFIDLO Cc1ccc(-c2nc(NC(=O)[C@H](C)[NH+]3CCCCCC3)n[nH]2)o1 ZINC000160312190 425979292 /nfs/dbraw/zinc/97/92/92/425979292.db2.gz ICDABPUZNBDYTF-LBPRGKRZSA-N 1 2 317.393 2.576 20 70 DFIDLO Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)[NH+]3CCCCCC3)n2)o1 ZINC000160312190 425979294 /nfs/dbraw/zinc/97/92/94/425979294.db2.gz ICDABPUZNBDYTF-LBPRGKRZSA-N 1 2 317.393 2.576 20 70 DFIDLO O[C@@H](C[NH+]1CCN(c2cccs2)CC1)c1c(F)cccc1F ZINC000160322571 425979688 /nfs/dbraw/zinc/97/96/88/425979688.db2.gz PZPHCMPZMMTELT-AWEZNQCLSA-N 1 2 324.396 2.882 20 70 DFIDLO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(F)cc(Cl)c1O ZINC000161403947 426023453 /nfs/dbraw/zinc/02/34/53/426023453.db2.gz QYYVRPSPHSIQQZ-UHFFFAOYSA-N 1 2 312.772 2.541 20 70 DFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000161167003 426011229 /nfs/dbraw/zinc/01/12/29/426011229.db2.gz DJFLKVVJCYILLK-UHFFFAOYSA-N 1 2 319.213 2.842 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000161257069 426014575 /nfs/dbraw/zinc/01/45/75/426014575.db2.gz FTCMMXDSLYHXTH-MRXNPFEDSA-N 1 2 317.433 2.599 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000161257069 426014578 /nfs/dbraw/zinc/01/45/78/426014578.db2.gz FTCMMXDSLYHXTH-MRXNPFEDSA-N 1 2 317.433 2.599 20 70 DFIDLO CCOC(=O)[C@@H]1CCCCN1Cc1c[nH+]c2cc(C)ccn12 ZINC000161257203 426015300 /nfs/dbraw/zinc/01/53/00/426015300.db2.gz MEGGMBZUJWQJAN-HNNXBMFYSA-N 1 2 301.390 2.560 20 70 DFIDLO Cc1ccc2cccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2n1 ZINC000161252329 426015397 /nfs/dbraw/zinc/01/53/97/426015397.db2.gz KDMYAPWQKBSPGM-CQSZACIVSA-N 1 2 306.369 2.941 20 70 DFIDLO O=C(Nc1cccnc1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161269514 426016432 /nfs/dbraw/zinc/01/64/32/426016432.db2.gz OEOKTAHYFWCCDW-NSHDSACASA-N 1 2 317.780 2.530 20 70 DFIDLO COC(=O)C(C)(C)[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000159530084 295378113 /nfs/dbraw/zinc/37/81/13/295378113.db2.gz JYFIELNJZCCSEK-UHFFFAOYSA-N 1 2 306.189 2.913 20 70 DFIDLO CCOC(=O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000159537380 295378302 /nfs/dbraw/zinc/37/83/02/295378302.db2.gz TXBVQJAVEXJBPU-UHFFFAOYSA-N 1 2 305.296 2.623 20 70 DFIDLO CCOC(=O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000159537380 295378303 /nfs/dbraw/zinc/37/83/03/295378303.db2.gz TXBVQJAVEXJBPU-UHFFFAOYSA-N 1 2 305.296 2.623 20 70 DFIDLO CC(C)c1ccccc1NC(=O)CSCC[NH+]1CCOCC1 ZINC000159970983 295384776 /nfs/dbraw/zinc/38/47/76/295384776.db2.gz XSLWJXYALUDWNF-UHFFFAOYSA-N 1 2 322.474 2.814 20 70 DFIDLO O=C(NC1(CO)CC1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000160256630 295388834 /nfs/dbraw/zinc/38/88/34/295388834.db2.gz NTBKQCBFQCDODE-UHFFFAOYSA-N 1 2 318.760 2.782 20 70 DFIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000160727037 295394992 /nfs/dbraw/zinc/39/49/92/295394992.db2.gz DKXCFNOESKAFNY-UHFFFAOYSA-N 1 2 305.390 2.610 20 70 DFIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000160727037 295394995 /nfs/dbraw/zinc/39/49/95/295394995.db2.gz DKXCFNOESKAFNY-UHFFFAOYSA-N 1 2 305.390 2.610 20 70 DFIDLO CCC[N@H+](Cc1cc(Cl)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000161104750 295398745 /nfs/dbraw/zinc/39/87/45/295398745.db2.gz WYTSXLOKIZUHEO-ZDUSSCGKSA-N 1 2 319.829 2.878 20 70 DFIDLO CCC[N@@H+](Cc1cc(Cl)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000161104750 295398746 /nfs/dbraw/zinc/39/87/46/295398746.db2.gz WYTSXLOKIZUHEO-ZDUSSCGKSA-N 1 2 319.829 2.878 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000161104645 295398765 /nfs/dbraw/zinc/39/87/65/295398765.db2.gz UYOVTVKGIUMBQZ-LLVKDONJSA-N 1 2 322.359 2.547 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000161104645 295398766 /nfs/dbraw/zinc/39/87/66/295398766.db2.gz UYOVTVKGIUMBQZ-LLVKDONJSA-N 1 2 322.359 2.547 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1OC ZINC000161177597 295399548 /nfs/dbraw/zinc/39/95/48/295399548.db2.gz KVZZBDIYEZXGBA-CQSZACIVSA-N 1 2 313.401 2.939 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccccc1OC ZINC000161177597 295399549 /nfs/dbraw/zinc/39/95/49/295399549.db2.gz KVZZBDIYEZXGBA-CQSZACIVSA-N 1 2 313.401 2.939 20 70 DFIDLO CC(C)S(=O)(=O)CCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000160505716 519786755 /nfs/dbraw/zinc/78/67/55/519786755.db2.gz YFWDDCXBHNVCQT-UHFFFAOYSA-N 1 2 307.459 2.989 20 70 DFIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000160505716 519786756 /nfs/dbraw/zinc/78/67/56/519786756.db2.gz YFWDDCXBHNVCQT-UHFFFAOYSA-N 1 2 307.459 2.989 20 70 DFIDLO O=C(Nc1nc(C(F)(F)F)cs1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159756859 398966705 /nfs/dbraw/zinc/96/67/05/398966705.db2.gz QYVDSQSUVBNITL-SSDOTTSWSA-N 1 2 316.308 2.560 20 70 DFIDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160056731 197382588 /nfs/dbraw/zinc/38/25/88/197382588.db2.gz KWKAKVYDFPAGTO-INIZCTEOSA-N 1 2 318.392 2.776 20 70 DFIDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160056731 197382589 /nfs/dbraw/zinc/38/25/89/197382589.db2.gz KWKAKVYDFPAGTO-INIZCTEOSA-N 1 2 318.392 2.776 20 70 DFIDLO C=CCn1c(C)cc(C(=O)CSCC[NH+]2CCOCC2)c1C ZINC000159967132 197377297 /nfs/dbraw/zinc/37/72/97/197377297.db2.gz LFXHBDMCLWRACL-UHFFFAOYSA-N 1 2 322.474 2.539 20 70 DFIDLO O=C(Nc1cc(F)ccc1F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159886707 197371321 /nfs/dbraw/zinc/37/13/21/197371321.db2.gz RYOLRQFKKIHTHQ-LBPRGKRZSA-N 1 2 318.327 2.760 20 70 DFIDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000159861288 197369386 /nfs/dbraw/zinc/36/93/86/197369386.db2.gz FBKFVSFHTDOQGE-SNVBAGLBSA-N 1 2 311.307 2.924 20 70 DFIDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@@H](CO)C1 ZINC000159459904 197355019 /nfs/dbraw/zinc/35/50/19/197355019.db2.gz VIEWQDPOMLKKLK-CYBMUJFWSA-N 1 2 313.357 2.720 20 70 DFIDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159423482 197352420 /nfs/dbraw/zinc/35/24/20/197352420.db2.gz BHAPGKWHKRRFCE-VIFPVBQESA-N 1 2 312.167 2.949 20 70 DFIDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159423482 197352421 /nfs/dbraw/zinc/35/24/21/197352421.db2.gz BHAPGKWHKRRFCE-VIFPVBQESA-N 1 2 312.167 2.949 20 70 DFIDLO O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160137926 267534075 /nfs/dbraw/zinc/53/40/75/267534075.db2.gz YQFQBIKNDUVKIL-CYBMUJFWSA-N 1 2 308.341 2.739 20 70 DFIDLO O=C(/C=C\c1cc(Br)ccc1F)NCc1[nH]cc[nH+]1 ZINC000216998849 268138777 /nfs/dbraw/zinc/13/87/77/268138777.db2.gz NIXRUAFBMJVCLB-RJRFIUFISA-N 1 2 324.153 2.641 20 70 DFIDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000160465749 425982868 /nfs/dbraw/zinc/98/28/68/425982868.db2.gz IKTNOCJIUHGRPS-ILXRZTDVSA-N 1 2 318.421 2.604 20 70 DFIDLO CCC(CC)CNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000160575104 425987728 /nfs/dbraw/zinc/98/77/28/425987728.db2.gz UYBKFWULYQLFDW-UHFFFAOYSA-N 1 2 324.494 2.715 20 70 DFIDLO CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702527 425992996 /nfs/dbraw/zinc/99/29/96/425992996.db2.gz YTGIQGDASYFYPW-NZVBXONLSA-N 1 2 311.376 2.808 20 70 DFIDLO CC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702527 425993000 /nfs/dbraw/zinc/99/30/00/425993000.db2.gz YTGIQGDASYFYPW-NZVBXONLSA-N 1 2 311.376 2.808 20 70 DFIDLO CC(C)CSCCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000160745576 425994741 /nfs/dbraw/zinc/99/47/41/425994741.db2.gz QSTDEBVURLYYSM-UHFFFAOYSA-N 1 2 318.446 2.776 20 70 DFIDLO COc1ccc(CN2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000160891616 426000894 /nfs/dbraw/zinc/00/08/94/426000894.db2.gz MXWIOOKTPBELFP-CJNGLKHVSA-N 1 2 324.852 2.501 20 70 DFIDLO C[N@H+](Cc1cnc2ccccn12)Cc1ccc([S@](C)=O)cc1 ZINC000160970368 426004699 /nfs/dbraw/zinc/00/46/99/426004699.db2.gz GYNVRLCZLBPQMI-JOCHJYFZSA-N 1 2 313.426 2.704 20 70 DFIDLO C[N@@H+](Cc1cnc2ccccn12)Cc1ccc([S@](C)=O)cc1 ZINC000160970368 426004702 /nfs/dbraw/zinc/00/47/02/426004702.db2.gz GYNVRLCZLBPQMI-JOCHJYFZSA-N 1 2 313.426 2.704 20 70 DFIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCCc2sccc21 ZINC000159412689 425960554 /nfs/dbraw/zinc/96/05/54/425960554.db2.gz NZKXEDPLNIEOGB-AWEZNQCLSA-N 1 2 303.431 2.913 20 70 DFIDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCOCC2)ccc1Br ZINC000159427492 425960882 /nfs/dbraw/zinc/96/08/82/425960882.db2.gz WEHFCZAGHWDQGU-UHFFFAOYSA-N 1 2 315.167 2.580 20 70 DFIDLO O=[N+]([O-])c1cc(C[N@H+]2CCCOCC2)ccc1Br ZINC000159427492 425960885 /nfs/dbraw/zinc/96/08/85/425960885.db2.gz WEHFCZAGHWDQGU-UHFFFAOYSA-N 1 2 315.167 2.580 20 70 DFIDLO O=C(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)Nc1ccccc1 ZINC000159600156 425964416 /nfs/dbraw/zinc/96/44/16/425964416.db2.gz ZGGYBELRNFQQHL-HXUWFJFHSA-N 1 2 322.408 2.799 20 70 DFIDLO O=C(C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)Nc1ccccc1 ZINC000159600156 425964418 /nfs/dbraw/zinc/96/44/18/425964418.db2.gz ZGGYBELRNFQQHL-HXUWFJFHSA-N 1 2 322.408 2.799 20 70 DFIDLO FC(F)(F)COCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159605774 425964494 /nfs/dbraw/zinc/96/44/94/425964494.db2.gz BJZPPJZLISGYRI-HNNXBMFYSA-N 1 2 315.335 2.739 20 70 DFIDLO FC(F)(F)COCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159605774 425964497 /nfs/dbraw/zinc/96/44/97/425964497.db2.gz BJZPPJZLISGYRI-HNNXBMFYSA-N 1 2 315.335 2.739 20 70 DFIDLO CC[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccc(F)cc1 ZINC000159597771 425964620 /nfs/dbraw/zinc/96/46/20/425964620.db2.gz IVSWDPSWGUOFSH-HZPDHXFCSA-N 1 2 315.392 2.955 20 70 DFIDLO CCc1ccc(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000159785432 425967334 /nfs/dbraw/zinc/96/73/34/425967334.db2.gz NLVYDEBBKDUOSW-UHFFFAOYSA-N 1 2 323.440 2.531 20 70 DFIDLO Cc1ccc(-c2cncc(C(=O)NCCn3cc[nH+]c3)c2)cc1 ZINC000159788153 425967587 /nfs/dbraw/zinc/96/75/87/425967587.db2.gz NJNUOWCRJCSICY-UHFFFAOYSA-N 1 2 306.369 2.684 20 70 DFIDLO C[C@@H](SCC[NH+]1CCOCC1)c1nc(-c2ccccc2)no1 ZINC000159920799 425970612 /nfs/dbraw/zinc/97/06/12/425970612.db2.gz YAWIEIRAMFUMPH-CYBMUJFWSA-N 1 2 319.430 2.863 20 70 DFIDLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)cc[nH+]1 ZINC000159924534 425970665 /nfs/dbraw/zinc/97/06/65/425970665.db2.gz ZZKXXEHCKBRTHL-DOMZBBRYSA-N 1 2 315.398 2.610 20 70 DFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ccsc1 ZINC000159992509 425971447 /nfs/dbraw/zinc/97/14/47/425971447.db2.gz KNOAUMWXYHPZJT-GXTWGEPZSA-N 1 2 301.415 2.871 20 70 DFIDLO CC[C@@H](C)c1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)on1 ZINC000160045267 425972711 /nfs/dbraw/zinc/97/27/11/425972711.db2.gz ILWKDSQPWOIGHG-GFCCVEGCSA-N 1 2 316.405 2.693 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000161064587 426007896 /nfs/dbraw/zinc/00/78/96/426007896.db2.gz TXBIKZKBUBCXQR-CQSZACIVSA-N 1 2 313.401 2.939 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000161064587 426007897 /nfs/dbraw/zinc/00/78/97/426007897.db2.gz TXBIKZKBUBCXQR-CQSZACIVSA-N 1 2 313.401 2.939 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000161258815 426015243 /nfs/dbraw/zinc/01/52/43/426015243.db2.gz KBGDWOJCTNAOIW-INIZCTEOSA-N 1 2 307.390 2.621 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(OC)cc(OC)c1 ZINC000161258815 426015248 /nfs/dbraw/zinc/01/52/48/426015248.db2.gz KBGDWOJCTNAOIW-INIZCTEOSA-N 1 2 307.390 2.621 20 70 DFIDLO CCC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161328585 426018746 /nfs/dbraw/zinc/01/87/46/426018746.db2.gz KTLZSANVJMBZIJ-DLBZAZTESA-N 1 2 311.429 2.973 20 70 DFIDLO CC1(C)CCC(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000160239472 280918742 /nfs/dbraw/zinc/91/87/42/280918742.db2.gz HNFYAYJPOYGZOV-QGZVFWFLSA-N 1 2 322.493 2.916 20 70 DFIDLO Cc1ccc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)cc1C ZINC000159787760 295381866 /nfs/dbraw/zinc/38/18/66/295381866.db2.gz WUVCQEZSDYWGBT-HNNXBMFYSA-N 1 2 322.474 2.696 20 70 DFIDLO CCC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)OCC ZINC000159856541 295383025 /nfs/dbraw/zinc/38/30/25/295383025.db2.gz OIMXZFWCSHSAKX-CJNGLKHVSA-N 1 2 316.405 2.650 20 70 DFIDLO Cc1cc(NC(=O)CCN2C(=O)CCc3ccccc32)cc[nH+]1 ZINC000159924237 295384133 /nfs/dbraw/zinc/38/41/33/295384133.db2.gz BIMGGGUQTKQGHP-UHFFFAOYSA-N 1 2 309.369 2.698 20 70 DFIDLO CCSc1cccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000160330263 295389946 /nfs/dbraw/zinc/38/99/46/295389946.db2.gz NUMVFASOCHYRRX-UHFFFAOYSA-N 1 2 322.474 2.639 20 70 DFIDLO Cc1ccsc1[C@H](CO)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160375327 295390842 /nfs/dbraw/zinc/39/08/42/295390842.db2.gz DHPRQZCQAGQIAX-NSHDSACASA-N 1 2 321.450 2.576 20 70 DFIDLO Cc1ccsc1[C@H](CO)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160375327 295390843 /nfs/dbraw/zinc/39/08/43/295390843.db2.gz DHPRQZCQAGQIAX-NSHDSACASA-N 1 2 321.450 2.576 20 70 DFIDLO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000160957536 295396630 /nfs/dbraw/zinc/39/66/30/295396630.db2.gz FNYQGOCFMNPAGF-JENIJYKNSA-N 1 2 316.445 2.612 20 70 DFIDLO CC(C)c1nc(N2CCc3c(F)cccc3C2)nc(N(C)C)[nH+]1 ZINC000160931359 295396866 /nfs/dbraw/zinc/39/68/66/295396866.db2.gz RKMYSAZAYXCNGS-UHFFFAOYSA-N 1 2 315.396 2.763 20 70 DFIDLO CC[N@H+](CC(=O)Nc1cccc(SC)c1)Cc1cnn(C)c1 ZINC000161078974 295398514 /nfs/dbraw/zinc/39/85/14/295398514.db2.gz GYAJDYPURLFIQG-UHFFFAOYSA-N 1 2 318.446 2.603 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1cccc(SC)c1)Cc1cnn(C)c1 ZINC000161078974 295398516 /nfs/dbraw/zinc/39/85/16/295398516.db2.gz GYAJDYPURLFIQG-UHFFFAOYSA-N 1 2 318.446 2.603 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000161102676 295398552 /nfs/dbraw/zinc/39/85/52/295398552.db2.gz SNUGMODBICFOAV-OAHLLOKOSA-N 1 2 314.433 2.886 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000161102676 295398554 /nfs/dbraw/zinc/39/85/54/295398554.db2.gz SNUGMODBICFOAV-OAHLLOKOSA-N 1 2 314.433 2.886 20 70 DFIDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1c(C)nn(C)c1C)c1nccs1 ZINC000161099608 295398591 /nfs/dbraw/zinc/39/85/91/295398591.db2.gz LDCYHAYAJWUHFF-JQWIXIFHSA-N 1 2 321.450 2.561 20 70 DFIDLO CCC[N@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000161104642 295398622 /nfs/dbraw/zinc/39/86/22/295398622.db2.gz WYTSXLOKIZUHEO-CYBMUJFWSA-N 1 2 319.829 2.878 20 70 DFIDLO CCC[N@@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000161104642 295398624 /nfs/dbraw/zinc/39/86/24/295398624.db2.gz WYTSXLOKIZUHEO-CYBMUJFWSA-N 1 2 319.829 2.878 20 70 DFIDLO O=C(Cn1cc[nH+]c1)NC1(c2ccc(F)cc2F)CCCC1 ZINC000161136137 295398893 /nfs/dbraw/zinc/39/88/93/295398893.db2.gz NYWRDZJREOUXCX-UHFFFAOYSA-N 1 2 305.328 2.747 20 70 DFIDLO CC1(C)C[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000160291104 520563857 /nfs/dbraw/zinc/56/38/57/520563857.db2.gz YPOBMXFVWSQUIA-NSHDSACASA-N 1 2 322.206 2.759 20 70 DFIDLO CN(C)c1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c(F)c1 ZINC000159719117 186137451 /nfs/dbraw/zinc/13/74/51/186137451.db2.gz JMKWQCMGIVTMOB-UHFFFAOYSA-N 1 2 321.440 2.884 20 70 DFIDLO O=C(Cc1noc2ccccc12)NCC[NH2+]C1CCCCCC1 ZINC000159717329 186137452 /nfs/dbraw/zinc/13/74/52/186137452.db2.gz XKIHFGUFHDBQHX-UHFFFAOYSA-N 1 2 315.417 2.799 20 70 DFIDLO COCCOC1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000159721969 186137561 /nfs/dbraw/zinc/13/75/61/186137561.db2.gz RYCIOYOHNXKJIC-UHFFFAOYSA-N 1 2 305.418 2.695 20 70 DFIDLO Cc1ccc2[nH+]c(CSCC(=O)NC3CC=CC3)cn2c1 ZINC000160860711 398973109 /nfs/dbraw/zinc/97/31/09/398973109.db2.gz BXSZJFJDYRJNHB-UHFFFAOYSA-N 1 2 301.415 2.711 20 70 DFIDLO C[C@H](c1ccccn1)[NH+]1CCN(c2nnc(C3CC3)s2)CC1 ZINC000160077143 197383242 /nfs/dbraw/zinc/38/32/42/197383242.db2.gz WRWKEVBMPKDVFA-GFCCVEGCSA-N 1 2 315.446 2.694 20 70 DFIDLO CCCO[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000160107821 197385898 /nfs/dbraw/zinc/38/58/98/197385898.db2.gz YAJMNGOXHKCXIV-CVEARBPZSA-N 1 2 306.406 2.577 20 70 DFIDLO CCCO[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000160107821 197385899 /nfs/dbraw/zinc/38/58/99/197385899.db2.gz YAJMNGOXHKCXIV-CVEARBPZSA-N 1 2 306.406 2.577 20 70 DFIDLO Cc1ccc(F)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159932582 197375250 /nfs/dbraw/zinc/37/52/50/197375250.db2.gz ZRSMBYZPARQXHG-AWEZNQCLSA-N 1 2 314.364 2.930 20 70 DFIDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCCS(C)(=O)=O ZINC000161491241 542729295 /nfs/dbraw/zinc/72/92/95/542729295.db2.gz UMFSGJRUXBGMCV-LLVKDONJSA-N 1 2 305.390 2.782 20 70 DFIDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCCS(C)(=O)=O ZINC000161491241 542729299 /nfs/dbraw/zinc/72/92/99/542729299.db2.gz UMFSGJRUXBGMCV-LLVKDONJSA-N 1 2 305.390 2.782 20 70 DFIDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160423208 425981319 /nfs/dbraw/zinc/98/13/19/425981319.db2.gz CRQUSQJHSKBOEL-TZMCWYRMSA-N 1 2 315.421 2.951 20 70 DFIDLO Cc1cc(NC2CN(C(=O)OC(C)(C)C)C2)c(C#N)c(C)[nH+]1 ZINC000160722527 425993836 /nfs/dbraw/zinc/99/38/36/425993836.db2.gz IGZJSVRGNZPIGM-UHFFFAOYSA-N 1 2 302.378 2.601 20 70 DFIDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1nc(CC)cc(=O)[nH]1 ZINC000160954765 426003012 /nfs/dbraw/zinc/00/30/12/426003012.db2.gz SZHCYIXBLCHFLE-UHFFFAOYSA-N 1 2 313.401 2.941 20 70 DFIDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1nc(CC)cc(=O)[nH]1 ZINC000160954765 426003013 /nfs/dbraw/zinc/00/30/13/426003013.db2.gz SZHCYIXBLCHFLE-UHFFFAOYSA-N 1 2 313.401 2.941 20 70 DFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCc2ccc(Cl)cc21 ZINC000160994076 426003650 /nfs/dbraw/zinc/00/36/50/426003650.db2.gz BQKHDZCNEOHSJK-GFCCVEGCSA-N 1 2 301.777 2.688 20 70 DFIDLO C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159392434 425958817 /nfs/dbraw/zinc/95/88/17/425958817.db2.gz QEEYXXAGQDRVLC-CHWSQXEVSA-N 1 2 301.365 2.804 20 70 DFIDLO CC#CC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000159508130 425961934 /nfs/dbraw/zinc/96/19/34/425961934.db2.gz VKJRYMCAHLNPHF-UHFFFAOYSA-N 1 2 311.212 2.775 20 70 DFIDLO CC[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccc(F)cc1 ZINC000159598030 425963959 /nfs/dbraw/zinc/96/39/59/425963959.db2.gz IVSWDPSWGUOFSH-JKSUJKDBSA-N 1 2 315.392 2.955 20 70 DFIDLO C=CCn1c(SCc2[nH+]ccn2C)nnc1-c1ccccn1 ZINC000159635386 425964727 /nfs/dbraw/zinc/96/47/27/425964727.db2.gz LMVIZLGXRSMECE-UHFFFAOYSA-N 1 2 312.402 2.552 20 70 DFIDLO O=C(NCCc1ccc(Cl)s1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160072933 425973999 /nfs/dbraw/zinc/97/39/99/425973999.db2.gz USOPQVAKVMLDBA-JTQLQIEISA-N 1 2 309.822 2.519 20 70 DFIDLO CCc1nnc(C[NH+]2CCC(OCc3ccccc3C)CC2)[nH]1 ZINC000160223332 425977836 /nfs/dbraw/zinc/97/78/36/425977836.db2.gz JMXWSIJAZLVDBR-UHFFFAOYSA-N 1 2 314.433 2.857 20 70 DFIDLO CCn1cc[nH+]c1CS(=O)(=O)c1ncc(C(C)(C)C)s1 ZINC000160335862 425979111 /nfs/dbraw/zinc/97/91/11/425979111.db2.gz LNGVVDCQTLQZGP-UHFFFAOYSA-N 1 2 313.448 2.631 20 70 DFIDLO CC(C)c1nc(N[C@H]2CCCN(CC(F)(F)F)C2=O)cc[nH+]1 ZINC000161497319 426026241 /nfs/dbraw/zinc/02/62/41/426026241.db2.gz WTYCTHAKYGDEPA-JTQLQIEISA-N 1 2 316.327 2.565 20 70 DFIDLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000161486959 426026519 /nfs/dbraw/zinc/02/65/19/426026519.db2.gz MBCIHSIJPMGIIG-SECBINFHSA-N 1 2 324.306 2.876 20 70 DFIDLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000161166384 426010892 /nfs/dbraw/zinc/01/08/92/426010892.db2.gz UVWWQRMYXHFQLS-OCCSQVGLSA-N 1 2 302.447 2.982 20 70 DFIDLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nsc(N(C)C)n1 ZINC000161166384 426010895 /nfs/dbraw/zinc/01/08/95/426010895.db2.gz UVWWQRMYXHFQLS-OCCSQVGLSA-N 1 2 302.447 2.982 20 70 DFIDLO CCc1ncc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000161161702 426010976 /nfs/dbraw/zinc/01/09/76/426010976.db2.gz KPCZBGHKTUTQHN-LBPRGKRZSA-N 1 2 300.366 2.521 20 70 DFIDLO CCOC(=O)[C@H]1CCCCN1Cc1c[nH+]c2cc(C)ccn12 ZINC000161257336 426014786 /nfs/dbraw/zinc/01/47/86/426014786.db2.gz MEGGMBZUJWQJAN-OAHLLOKOSA-N 1 2 301.390 2.560 20 70 DFIDLO CN(CC[N@H+](C)Cc1nc2ccccc2[nH]1)C(=O)OC(C)(C)C ZINC000161250020 426015361 /nfs/dbraw/zinc/01/53/61/426015361.db2.gz QOKVUUXETXJPEY-UHFFFAOYSA-N 1 2 318.421 2.862 20 70 DFIDLO CN(CC[N@@H+](C)Cc1nc2ccccc2[nH]1)C(=O)OC(C)(C)C ZINC000161250020 426015364 /nfs/dbraw/zinc/01/53/64/426015364.db2.gz QOKVUUXETXJPEY-UHFFFAOYSA-N 1 2 318.421 2.862 20 70 DFIDLO O[C@@H](C1CC[NH+](Cc2nc3ccccc3o2)CC1)C(F)(F)F ZINC000161289034 426017793 /nfs/dbraw/zinc/01/77/93/426017793.db2.gz PTFRJLQKAQCVRG-AWEZNQCLSA-N 1 2 314.307 2.963 20 70 DFIDLO CCc1ccc(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000161357581 426020515 /nfs/dbraw/zinc/02/05/15/426020515.db2.gz MCPCVCNYSDFZEE-MYSGNRETSA-N 1 2 311.385 2.645 20 70 DFIDLO Cc1cccc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)c1C ZINC000159870027 295383134 /nfs/dbraw/zinc/38/31/34/295383134.db2.gz GBRLDBQJOXDNDX-HNNXBMFYSA-N 1 2 322.474 2.696 20 70 DFIDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000160032048 295385742 /nfs/dbraw/zinc/38/57/42/295385742.db2.gz GRYWVQZXAPGKGN-UHFFFAOYSA-N 1 2 314.776 2.603 20 70 DFIDLO CC(C)n1ccnc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000160796958 295395704 /nfs/dbraw/zinc/39/57/04/295395704.db2.gz GBLSVICPRCSHPN-UHFFFAOYSA-N 1 2 322.453 2.953 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000161104789 295398727 /nfs/dbraw/zinc/39/87/27/295398727.db2.gz YIJOTZBKLAIOJX-ZDUSSCGKSA-N 1 2 318.396 2.717 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000161104789 295398728 /nfs/dbraw/zinc/39/87/28/295398728.db2.gz YIJOTZBKLAIOJX-ZDUSSCGKSA-N 1 2 318.396 2.717 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000161104519 295398740 /nfs/dbraw/zinc/39/87/40/295398740.db2.gz UYOVTVKGIUMBQZ-NSHDSACASA-N 1 2 322.359 2.547 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000161104519 295398742 /nfs/dbraw/zinc/39/87/42/295398742.db2.gz UYOVTVKGIUMBQZ-NSHDSACASA-N 1 2 322.359 2.547 20 70 DFIDLO Cc1ccc(C(=O)CC[N@H+](CC(N)=O)Cc2ccccc2)cc1 ZINC000159641152 186132340 /nfs/dbraw/zinc/13/23/40/186132340.db2.gz QJILHGYZDZSYPK-UHFFFAOYSA-N 1 2 310.397 2.555 20 70 DFIDLO Cc1ccc(C(=O)CC[N@@H+](CC(N)=O)Cc2ccccc2)cc1 ZINC000159641152 186132341 /nfs/dbraw/zinc/13/23/41/186132341.db2.gz QJILHGYZDZSYPK-UHFFFAOYSA-N 1 2 310.397 2.555 20 70 DFIDLO CCCC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)C(=O)OC ZINC000161044137 197460453 /nfs/dbraw/zinc/46/04/53/197460453.db2.gz DBHJTTNQAKWWDA-MRXNPFEDSA-N 1 2 301.390 2.694 20 70 DFIDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)C[C@@H]1CCCO1 ZINC000160275609 197397471 /nfs/dbraw/zinc/39/74/71/197397471.db2.gz SXYPHAWKCPHXCV-ZFWWWQNUSA-N 1 2 301.390 2.832 20 70 DFIDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000160275609 197397473 /nfs/dbraw/zinc/39/74/73/197397473.db2.gz SXYPHAWKCPHXCV-ZFWWWQNUSA-N 1 2 301.390 2.832 20 70 DFIDLO COC[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 ZINC000160028298 197381045 /nfs/dbraw/zinc/38/10/45/197381045.db2.gz MFKRAERDYOSKAL-OAHLLOKOSA-N 1 2 314.389 2.634 20 70 DFIDLO CC(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159889987 197371031 /nfs/dbraw/zinc/37/10/31/197371031.db2.gz OVARCJKPCGERAJ-MRXNPFEDSA-N 1 2 324.384 2.685 20 70 DFIDLO CCc1ncsc1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000159448164 197354475 /nfs/dbraw/zinc/35/44/75/197354475.db2.gz ZUNAACNAOWIBDD-UHFFFAOYSA-N 1 2 300.387 2.592 20 70 DFIDLO CC[N@@H+]1CCO[C@@H](CNCc2cc(Cl)ccc2Cl)C1 ZINC000159544834 542718547 /nfs/dbraw/zinc/71/85/47/542718547.db2.gz VBONOPXQSKPHSL-ZDUSSCGKSA-N 1 2 303.233 2.804 20 70 DFIDLO CC[N@H+]1CCO[C@@H](CNCc2cc(Cl)ccc2Cl)C1 ZINC000159544834 542718550 /nfs/dbraw/zinc/71/85/50/542718550.db2.gz VBONOPXQSKPHSL-ZDUSSCGKSA-N 1 2 303.233 2.804 20 70 DFIDLO CCO[C@H](CC)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161415255 542729773 /nfs/dbraw/zinc/72/97/73/542729773.db2.gz BOWOYPDAXOQYPQ-MRXNPFEDSA-N 1 2 324.852 2.799 20 70 DFIDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159569437 145219568 /nfs/dbraw/zinc/21/95/68/145219568.db2.gz TWOLXCLUPVZPNR-UHFFFAOYSA-N 1 2 318.421 2.690 20 70 DFIDLO Cc1occc1C[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159569437 145219570 /nfs/dbraw/zinc/21/95/70/145219570.db2.gz TWOLXCLUPVZPNR-UHFFFAOYSA-N 1 2 318.421 2.690 20 70 DFIDLO CC(C)[NH+]1CCC(NC(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000160419625 425981310 /nfs/dbraw/zinc/98/13/10/425981310.db2.gz WPBMAUKQKYODCL-UHFFFAOYSA-N 1 2 314.788 2.787 20 70 DFIDLO CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702267 425993415 /nfs/dbraw/zinc/99/34/15/425993415.db2.gz YTGIQGDASYFYPW-COLVAYQJSA-N 1 2 311.376 2.808 20 70 DFIDLO CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702267 425993416 /nfs/dbraw/zinc/99/34/16/425993416.db2.gz YTGIQGDASYFYPW-COLVAYQJSA-N 1 2 311.376 2.808 20 70 DFIDLO Cn1c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)nnc1-c1ccccc1 ZINC000160848811 425999068 /nfs/dbraw/zinc/99/90/68/425999068.db2.gz VOWCLDPYUOTGRJ-JKSUJKDBSA-N 1 2 312.417 2.626 20 70 DFIDLO Cn1c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)nnc1-c1ccccc1 ZINC000160848811 425999071 /nfs/dbraw/zinc/99/90/71/425999071.db2.gz VOWCLDPYUOTGRJ-JKSUJKDBSA-N 1 2 312.417 2.626 20 70 DFIDLO CCCn1c(C)nnc1C[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000160902205 426000196 /nfs/dbraw/zinc/00/01/96/426000196.db2.gz ZVOQZBJRAIVYRQ-AWEZNQCLSA-N 1 2 313.449 2.837 20 70 DFIDLO CCCn1c(C)nnc1C[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000160902205 426000200 /nfs/dbraw/zinc/00/02/00/426000200.db2.gz ZVOQZBJRAIVYRQ-AWEZNQCLSA-N 1 2 313.449 2.837 20 70 DFIDLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@H+](C)C[C@H](C)O ZINC000159522651 425962046 /nfs/dbraw/zinc/96/20/46/425962046.db2.gz QFIRTVJMEVNKOC-UFBFGSQYSA-N 1 2 306.189 2.520 20 70 DFIDLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@@H+](C)C[C@H](C)O ZINC000159522651 425962047 /nfs/dbraw/zinc/96/20/47/425962047.db2.gz QFIRTVJMEVNKOC-UFBFGSQYSA-N 1 2 306.189 2.520 20 70 DFIDLO CC(C)c1nc(N2CCc3ccsc3C2)nc(N(C)C)[nH+]1 ZINC000161023652 426005277 /nfs/dbraw/zinc/00/52/77/426005277.db2.gz SQBRNQGQORBWJE-UHFFFAOYSA-N 1 2 303.435 2.685 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000160105886 425974026 /nfs/dbraw/zinc/97/40/26/425974026.db2.gz KNWWGVFGJZDWKH-WMZOPIPTSA-N 1 2 314.433 2.581 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000160105886 425974028 /nfs/dbraw/zinc/97/40/28/425974028.db2.gz KNWWGVFGJZDWKH-WMZOPIPTSA-N 1 2 314.433 2.581 20 70 DFIDLO O=C(Nc1cccc(N2CCCC2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160112810 425974696 /nfs/dbraw/zinc/97/46/96/425974696.db2.gz BLRKJDNUJFLAHO-CQSZACIVSA-N 1 2 310.401 2.684 20 70 DFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc2ncccc21 ZINC000161406325 426023251 /nfs/dbraw/zinc/02/32/51/426023251.db2.gz AMQVGMBQGIWAEY-CQSZACIVSA-N 1 2 318.380 2.639 20 70 DFIDLO CC(C)c1noc([C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)n1 ZINC000161405916 426023383 /nfs/dbraw/zinc/02/33/83/426023383.db2.gz DPONPMVZRYBSHL-GXSJLCMTSA-N 1 2 321.343 2.889 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCOC)c1 ZINC000161251475 426014940 /nfs/dbraw/zinc/01/49/40/426014940.db2.gz UBFFCGGIOBKPAA-KRWDZBQOSA-N 1 2 321.417 2.629 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OCCOC)c1 ZINC000161251475 426014942 /nfs/dbraw/zinc/01/49/42/426014942.db2.gz UBFFCGGIOBKPAA-KRWDZBQOSA-N 1 2 321.417 2.629 20 70 DFIDLO CCOC(=O)C[N@H+](Cc1cnc2ccccn12)C1CCCC1 ZINC000161300167 426017676 /nfs/dbraw/zinc/01/76/76/426017676.db2.gz RNSRTQSYALKRPN-UHFFFAOYSA-N 1 2 301.390 2.642 20 70 DFIDLO CCOC(=O)C[N@@H+](Cc1cnc2ccccn12)C1CCCC1 ZINC000161300167 426017678 /nfs/dbraw/zinc/01/76/78/426017678.db2.gz RNSRTQSYALKRPN-UHFFFAOYSA-N 1 2 301.390 2.642 20 70 DFIDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCCO1 ZINC000161333196 426019594 /nfs/dbraw/zinc/01/95/94/426019594.db2.gz SJAYQFBVJKTKFR-QGZVFWFLSA-N 1 2 322.836 2.553 20 70 DFIDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cccc(F)c1F ZINC000159397307 295376054 /nfs/dbraw/zinc/37/60/54/295376054.db2.gz OIIKKQYFTAKKRC-VFZGTOFNSA-N 1 2 308.303 2.981 20 70 DFIDLO COCC(C)(C)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000159500067 295377753 /nfs/dbraw/zinc/37/77/53/295377753.db2.gz ICZRFORKKYCEEP-UHFFFAOYSA-N 1 2 324.852 2.657 20 70 DFIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000159575309 295378704 /nfs/dbraw/zinc/37/87/04/295378704.db2.gz QOZVKXSOMGTSDB-HZMBPMFUSA-N 1 2 319.792 2.609 20 70 DFIDLO COc1ccc([C@H](NC(=O)C2=CCCC2)c2[nH+]ccn2C)cc1 ZINC000160250886 295388923 /nfs/dbraw/zinc/38/89/23/295388923.db2.gz VZFVPKYTGRCYOX-INIZCTEOSA-N 1 2 311.385 2.745 20 70 DFIDLO N#CCc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160420106 333342399 /nfs/dbraw/zinc/34/23/99/333342399.db2.gz BBLKOEZLSNBSNI-MRXNPFEDSA-N 1 2 321.384 2.548 20 70 DFIDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161135708 333818662 /nfs/dbraw/zinc/81/86/62/333818662.db2.gz PDUPSPVCGVBAGC-MRXNPFEDSA-N 1 2 316.449 2.654 20 70 DFIDLO Fc1ccccc1-c1cnc(CN2CC[NH+](C3CC3)CC2)o1 ZINC000159717105 186137504 /nfs/dbraw/zinc/13/75/04/186137504.db2.gz MYUHMWGSFCASAI-UHFFFAOYSA-N 1 2 301.365 2.761 20 70 DFIDLO Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc(C)c1F ZINC000160942226 197452289 /nfs/dbraw/zinc/45/22/89/197452289.db2.gz XVFUHSQKJXFKPF-UHFFFAOYSA-N 1 2 313.376 2.800 20 70 DFIDLO Cc1cc(F)ccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160123523 197386951 /nfs/dbraw/zinc/38/69/51/197386951.db2.gz DPWHLAZISLCIKZ-AWEZNQCLSA-N 1 2 314.364 2.930 20 70 DFIDLO O=C(Nc1ccc(F)c(F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159913589 197372749 /nfs/dbraw/zinc/37/27/49/197372749.db2.gz JHPANCLAEJRQMS-GFCCVEGCSA-N 1 2 318.327 2.760 20 70 DFIDLO O=C(Nc1cc(F)ccc1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159886846 197370890 /nfs/dbraw/zinc/37/08/90/197370890.db2.gz RYOLRQFKKIHTHQ-GFCCVEGCSA-N 1 2 318.327 2.760 20 70 DFIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](O)c1ccccc1 ZINC000159453128 197355196 /nfs/dbraw/zinc/35/51/96/197355196.db2.gz WRGUMBUJMZZDEZ-GOSISDBHSA-N 1 2 323.396 2.585 20 70 DFIDLO CCc1noc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n1 ZINC000159467655 542717472 /nfs/dbraw/zinc/71/74/72/542717472.db2.gz PFYMCYVOJWBWKN-ZDUSSCGKSA-N 1 2 318.396 2.650 20 70 DFIDLO CC[C@@H](c1ccncc1)N(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000160830204 425997978 /nfs/dbraw/zinc/99/79/78/425997978.db2.gz NFJHCAABMCDAKA-ZBFHGGJFSA-N 1 2 315.421 2.849 20 70 DFIDLO CC(C)n1cc[nH+]c1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000160859130 425998988 /nfs/dbraw/zinc/99/89/88/425998988.db2.gz JMUDMILQYHBNPV-UHFFFAOYSA-N 1 2 319.840 2.835 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000161045672 426006296 /nfs/dbraw/zinc/00/62/96/426006296.db2.gz GKKNIAAFDXVBKC-LBPRGKRZSA-N 1 2 318.808 2.979 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000161045672 426006300 /nfs/dbraw/zinc/00/63/00/426006300.db2.gz GKKNIAAFDXVBKC-LBPRGKRZSA-N 1 2 318.808 2.979 20 70 DFIDLO O=C(CCC1CCCCC1)N1CC[NH+](CCOCC2CC2)CC1 ZINC000159466672 425960673 /nfs/dbraw/zinc/96/06/73/425960673.db2.gz HUECAKLZDSGORI-UHFFFAOYSA-N 1 2 322.493 2.918 20 70 DFIDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2F)CC[C@@H]1O ZINC000159418136 425961073 /nfs/dbraw/zinc/96/10/73/425961073.db2.gz IQFGCYPNADLHPG-RNCFNFMXSA-N 1 2 302.187 2.791 20 70 DFIDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@@H]1O ZINC000159418136 425961074 /nfs/dbraw/zinc/96/10/74/425961074.db2.gz IQFGCYPNADLHPG-RNCFNFMXSA-N 1 2 302.187 2.791 20 70 DFIDLO COC(=O)C[N@H+](CCOCC1CC1)Cc1ccc(Cl)cc1 ZINC000159545543 425963331 /nfs/dbraw/zinc/96/33/31/425963331.db2.gz JIPSMMDFBRJDRU-UHFFFAOYSA-N 1 2 311.809 2.742 20 70 DFIDLO COC(=O)C[N@@H+](CCOCC1CC1)Cc1ccc(Cl)cc1 ZINC000159545543 425963333 /nfs/dbraw/zinc/96/33/33/425963333.db2.gz JIPSMMDFBRJDRU-UHFFFAOYSA-N 1 2 311.809 2.742 20 70 DFIDLO CC[C@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000159628152 425964711 /nfs/dbraw/zinc/96/47/11/425964711.db2.gz GTMCYLHVIXRTHP-FUHWJXTLSA-N 1 2 316.445 2.827 20 70 DFIDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160123058 425975735 /nfs/dbraw/zinc/97/57/35/425975735.db2.gz UHJGJCHMTRPCEF-AWEZNQCLSA-N 1 2 324.384 2.767 20 70 DFIDLO Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000161475122 426025885 /nfs/dbraw/zinc/02/58/85/426025885.db2.gz WVVLICKCDZANFG-WCQYABFASA-N 1 2 318.446 2.738 20 70 DFIDLO CS[C@H](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000161101404 426009207 /nfs/dbraw/zinc/00/92/07/426009207.db2.gz WBDLJIVDRALCOJ-LLVKDONJSA-N 1 2 307.394 2.769 20 70 DFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000161196748 426012602 /nfs/dbraw/zinc/01/26/02/426012602.db2.gz URICSMGDCYDECN-UHFFFAOYSA-N 1 2 306.431 2.833 20 70 DFIDLO CCc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000161279537 426016995 /nfs/dbraw/zinc/01/69/95/426016995.db2.gz VKZKZMKSOFLLGP-UHFFFAOYSA-N 1 2 315.442 2.875 20 70 DFIDLO CCc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000161279537 426016996 /nfs/dbraw/zinc/01/69/96/426016996.db2.gz VKZKZMKSOFLLGP-UHFFFAOYSA-N 1 2 315.442 2.875 20 70 DFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccnc2ccccc21 ZINC000161296931 426017031 /nfs/dbraw/zinc/01/70/31/426017031.db2.gz CUKZSSLYVAEDBH-AWEZNQCLSA-N 1 2 318.380 2.639 20 70 DFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)c(F)c1F ZINC000161290698 426017044 /nfs/dbraw/zinc/01/70/44/426017044.db2.gz ZMHCOGABEWMQMX-JTQLQIEISA-N 1 2 321.302 2.508 20 70 DFIDLO O=C(c1cc[nH]c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161347293 426019438 /nfs/dbraw/zinc/01/94/38/426019438.db2.gz NITXBYQVBPDDSJ-UHFFFAOYSA-N 1 2 303.793 2.626 20 70 DFIDLO O=C(c1cnc(-c2ccco2)s1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000216844678 426561373 /nfs/dbraw/zinc/56/13/73/426561373.db2.gz VGKBSCZOTUDRRU-LBPRGKRZSA-N 1 2 317.414 2.713 20 70 DFIDLO O=C(c1cnc(-c2ccco2)s1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000216844678 426561377 /nfs/dbraw/zinc/56/13/77/426561377.db2.gz VGKBSCZOTUDRRU-LBPRGKRZSA-N 1 2 317.414 2.713 20 70 DFIDLO CCc1nnc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000159470797 295377398 /nfs/dbraw/zinc/37/73/98/295377398.db2.gz UYTKTEBJWIGMLM-CYBMUJFWSA-N 1 2 318.396 2.650 20 70 DFIDLO COC(=O)c1oc([C@@H](C)SCC[NH+]2CCOCC2)cc1C ZINC000159801711 295382266 /nfs/dbraw/zinc/38/22/66/295382266.db2.gz DEMAYVILTLKEJU-GFCCVEGCSA-N 1 2 313.419 2.501 20 70 DFIDLO O=C(CCCSCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000159970192 295384577 /nfs/dbraw/zinc/38/45/77/295384577.db2.gz YSGYXVKWDKUMNL-UHFFFAOYSA-N 1 2 311.422 2.854 20 70 DFIDLO CN(Cc1[nH+]ccn1C)C(=O)c1cncc(-c2ccccc2)c1 ZINC000160148404 295387392 /nfs/dbraw/zinc/38/73/92/295387392.db2.gz LNWDGCOWCYYPAI-UHFFFAOYSA-N 1 2 306.369 2.754 20 70 DFIDLO CN(CCC1CCOCC1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000160546546 295392630 /nfs/dbraw/zinc/39/26/30/295392630.db2.gz VDUDBLHAIUHQDC-UHFFFAOYSA-N 1 2 304.438 2.720 20 70 DFIDLO CN(CCC1CCOCC1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000160546546 295392631 /nfs/dbraw/zinc/39/26/31/295392631.db2.gz VDUDBLHAIUHQDC-UHFFFAOYSA-N 1 2 304.438 2.720 20 70 DFIDLO Cc1[nH+]c2ccccn2c1CN(C)[C@H](C)C(=O)OC(C)(C)C ZINC000160947327 527176110 /nfs/dbraw/zinc/17/61/10/527176110.db2.gz ALKIATRULIZLKW-CYBMUJFWSA-N 1 2 303.406 2.805 20 70 DFIDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000159703694 186136072 /nfs/dbraw/zinc/13/60/72/186136072.db2.gz PLDQTJBEHOOMDQ-MRXNPFEDSA-N 1 2 311.429 2.951 20 70 DFIDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000159703694 186136074 /nfs/dbraw/zinc/13/60/74/186136074.db2.gz PLDQTJBEHOOMDQ-MRXNPFEDSA-N 1 2 311.429 2.951 20 70 DFIDLO C[C@H](c1ccccn1)[NH+]1CCN(c2nc(C3CC3)ns2)CC1 ZINC000160090934 197385387 /nfs/dbraw/zinc/38/53/87/197385387.db2.gz PUWXLJLWSNOLIS-GFCCVEGCSA-N 1 2 315.446 2.694 20 70 DFIDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H](C)c3ccccn3)CC2)n1 ZINC000160083115 197384845 /nfs/dbraw/zinc/38/48/45/197384845.db2.gz NXORHCBEOOMXEV-OAHLLOKOSA-N 1 2 307.401 2.540 20 70 DFIDLO CS[C@H](C)CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000160065592 197383972 /nfs/dbraw/zinc/38/39/72/197383972.db2.gz QBIWIYLEALXOPU-CYBMUJFWSA-N 1 2 307.463 2.830 20 70 DFIDLO O=C(Nc1c(F)cccc1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159909889 197372444 /nfs/dbraw/zinc/37/24/44/197372444.db2.gz OOJJNQZSBGJWEA-LLVKDONJSA-N 1 2 318.327 2.760 20 70 DFIDLO CC(=O)c1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159890106 197370567 /nfs/dbraw/zinc/37/05/67/197370567.db2.gz OVARCJKPCGERAJ-INIZCTEOSA-N 1 2 324.384 2.685 20 70 DFIDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)c1nc3ccccc3[nH]1)C2 ZINC000161316302 542728843 /nfs/dbraw/zinc/72/88/43/542728843.db2.gz AXAAOMRHXMRXQV-JQWIXIFHSA-N 1 2 323.400 2.577 20 70 DFIDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1nc3ccccc3[nH]1)CC2 ZINC000161316302 542728846 /nfs/dbraw/zinc/72/88/46/542728846.db2.gz AXAAOMRHXMRXQV-JQWIXIFHSA-N 1 2 323.400 2.577 20 70 DFIDLO CCC(CC)(C[NH2+]Cc1cn[nH]c1C)NC(=O)OC(C)(C)C ZINC000217697850 268138786 /nfs/dbraw/zinc/13/87/86/268138786.db2.gz WBYMUOCUIMRHBW-UHFFFAOYSA-N 1 2 310.442 2.891 20 70 DFIDLO Clc1cc(N2CCC[C@H]2Cn2cc[nH+]c2)nc(C2CC2)n1 ZINC000160387973 425980444 /nfs/dbraw/zinc/98/04/44/425980444.db2.gz JPASETOVIJMANI-LBPRGKRZSA-N 1 2 303.797 2.873 20 70 DFIDLO c1cc(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)[nH]n1 ZINC000160535345 425986488 /nfs/dbraw/zinc/98/64/88/425986488.db2.gz JKBDSBWQWQRDEP-UHFFFAOYSA-N 1 2 307.401 2.975 20 70 DFIDLO Cc1csc([C@H]2CN(c3cc(C)[nH+]c(C)c3C#N)CCO2)n1 ZINC000160616335 425990356 /nfs/dbraw/zinc/99/03/56/425990356.db2.gz VTRSHLYPGOYTOQ-OAHLLOKOSA-N 1 2 314.414 2.913 20 70 DFIDLO CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160704978 425993086 /nfs/dbraw/zinc/99/30/86/425993086.db2.gz ASABNQVVNBJHBD-HUUCEWRRSA-N 1 2 311.376 2.809 20 70 DFIDLO CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160704978 425993089 /nfs/dbraw/zinc/99/30/89/425993089.db2.gz ASABNQVVNBJHBD-HUUCEWRRSA-N 1 2 311.376 2.809 20 70 DFIDLO CCCC[N@H+](Cc1cc(C)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000160755124 425994278 /nfs/dbraw/zinc/99/42/78/425994278.db2.gz VEOVZOBBIPXDNK-OAHLLOKOSA-N 1 2 313.438 2.923 20 70 DFIDLO CCCC[N@@H+](Cc1cc(C)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000160755124 425994282 /nfs/dbraw/zinc/99/42/82/425994282.db2.gz VEOVZOBBIPXDNK-OAHLLOKOSA-N 1 2 313.438 2.923 20 70 DFIDLO COc1ccc(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1Cl ZINC000160891740 426000285 /nfs/dbraw/zinc/00/02/85/426000285.db2.gz MXWIOOKTPBELFP-BBRMVZONSA-N 1 2 324.852 2.501 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccccc2OC)C2CC2)n1 ZINC000160926238 426001698 /nfs/dbraw/zinc/00/16/98/426001698.db2.gz DGFJWBXUIAIJRG-UHFFFAOYSA-N 1 2 313.401 2.918 20 70 DFIDLO O=C(NCc1cccc2ccccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159391263 425959057 /nfs/dbraw/zinc/95/90/57/425959057.db2.gz WYECMXMILFXOTR-OAHLLOKOSA-N 1 2 305.381 2.915 20 70 DFIDLO Cc1cc(F)ccc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000159376259 425959517 /nfs/dbraw/zinc/95/95/17/425959517.db2.gz HHUVWLAQUJSXSF-CQSZACIVSA-N 1 2 315.392 2.963 20 70 DFIDLO CC(C)(C)c1nsc(N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000159419747 425960455 /nfs/dbraw/zinc/96/04/55/425960455.db2.gz YJTODCXEKUKCDQ-ZDUSSCGKSA-N 1 2 324.494 2.527 20 70 DFIDLO Cc1[nH+]c2ccccn2c1CN1CCO[C@H](c2nccs2)C1 ZINC000159442749 425961013 /nfs/dbraw/zinc/96/10/13/425961013.db2.gz LFZSRCJIHJINBQ-AWEZNQCLSA-N 1 2 314.414 2.673 20 70 DFIDLO CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000159628003 425964718 /nfs/dbraw/zinc/96/47/18/425964718.db2.gz GTMCYLHVIXRTHP-SJLPKXTDSA-N 1 2 316.445 2.827 20 70 DFIDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159759074 425967021 /nfs/dbraw/zinc/96/70/21/425967021.db2.gz OBQWYNVSANRACQ-GFCCVEGCSA-N 1 2 318.421 2.942 20 70 DFIDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159759074 425967024 /nfs/dbraw/zinc/96/70/24/425967024.db2.gz OBQWYNVSANRACQ-GFCCVEGCSA-N 1 2 318.421 2.942 20 70 DFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1ccsc1 ZINC000159992225 425971196 /nfs/dbraw/zinc/97/11/96/425971196.db2.gz KNOAUMWXYHPZJT-OCCSQVGLSA-N 1 2 301.415 2.871 20 70 DFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1c1ccsc1 ZINC000159992391 425971917 /nfs/dbraw/zinc/97/19/17/425971917.db2.gz KNOAUMWXYHPZJT-JSGCOSHPSA-N 1 2 301.415 2.871 20 70 DFIDLO CC[C@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)c1c(C)noc1C ZINC000159991749 425972165 /nfs/dbraw/zinc/97/21/65/425972165.db2.gz JSAZKEMQHSGFNR-STQMWFEESA-N 1 2 302.378 2.633 20 70 DFIDLO O=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160087654 425973834 /nfs/dbraw/zinc/97/38/34/425973834.db2.gz OGBMPCOVBYIGTG-QGZVFWFLSA-N 1 2 322.412 2.971 20 70 DFIDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000160238838 425978169 /nfs/dbraw/zinc/97/81/69/425978169.db2.gz XMMDYXHTURIUEB-OLZOCXBDSA-N 1 2 302.271 2.585 20 70 DFIDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000160238838 425978171 /nfs/dbraw/zinc/97/81/71/425978171.db2.gz XMMDYXHTURIUEB-OLZOCXBDSA-N 1 2 302.271 2.585 20 70 DFIDLO CC(C)(C)c1nsc(N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000160348956 425979704 /nfs/dbraw/zinc/97/97/04/425979704.db2.gz ZLDLKHPXTSAZDO-UHFFFAOYSA-N 1 2 317.462 2.947 20 70 DFIDLO CC(C)c1noc([C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)n1 ZINC000161405648 426023006 /nfs/dbraw/zinc/02/30/06/426023006.db2.gz DPONPMVZRYBSHL-ONGXEEELSA-N 1 2 321.343 2.889 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc2c1OCCCO2 ZINC000161247000 426014846 /nfs/dbraw/zinc/01/48/46/426014846.db2.gz LIGNWPQUMJSPRA-OAHLLOKOSA-N 1 2 319.401 2.766 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000161247000 426014847 /nfs/dbraw/zinc/01/48/47/426014847.db2.gz LIGNWPQUMJSPRA-OAHLLOKOSA-N 1 2 319.401 2.766 20 70 DFIDLO C[C@H]1CCCN(c2cc(N(C)CC3CCOCC3)[nH+]cn2)C1 ZINC000161252068 426015081 /nfs/dbraw/zinc/01/50/81/426015081.db2.gz UEUPUWCYBHFRLV-AWEZNQCLSA-N 1 2 304.438 2.576 20 70 DFIDLO C[C@H]1CCCN(c2cc(N(C)CC3CCOCC3)nc[nH+]2)C1 ZINC000161252068 426015083 /nfs/dbraw/zinc/01/50/83/426015083.db2.gz UEUPUWCYBHFRLV-AWEZNQCLSA-N 1 2 304.438 2.576 20 70 DFIDLO CCc1noc(C)c1CNc1ccccc1C[NH+]1CCOCC1 ZINC000159410913 295376500 /nfs/dbraw/zinc/37/65/00/295376500.db2.gz MMOQDJMLXXCCDK-UHFFFAOYSA-N 1 2 315.417 2.990 20 70 DFIDLO CCn1c(=O)c2cc(F)ccc2nc1SCc1[nH+]ccn1C ZINC000159706289 295380948 /nfs/dbraw/zinc/38/09/48/295380948.db2.gz MULAEFQSOAXRNM-UHFFFAOYSA-N 1 2 318.377 2.581 20 70 DFIDLO CCCn1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cn1 ZINC000159778149 295381489 /nfs/dbraw/zinc/38/14/89/295381489.db2.gz FWLUKOMYQIWPKW-UHFFFAOYSA-N 1 2 315.417 2.869 20 70 DFIDLO CCCn1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cn1 ZINC000159778149 295381492 /nfs/dbraw/zinc/38/14/92/295381492.db2.gz FWLUKOMYQIWPKW-UHFFFAOYSA-N 1 2 315.417 2.869 20 70 DFIDLO Cc1c(/C=C/C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cnn1C ZINC000159975571 295384799 /nfs/dbraw/zinc/38/47/99/295384799.db2.gz KHHDMRGUBWOEPB-VOTSOKGWSA-N 1 2 307.357 2.566 20 70 DFIDLO Cn1cc[nH+]c1CN1CCc2c(Br)cccc2C1 ZINC000160890848 295396314 /nfs/dbraw/zinc/39/63/14/295396314.db2.gz YKVXLIIPMGJOFF-UHFFFAOYSA-N 1 2 306.207 2.741 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000161103960 295398677 /nfs/dbraw/zinc/39/86/77/295398677.db2.gz KKNHDNHPOIOPID-NSHDSACASA-N 1 2 322.359 2.547 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000161103960 295398680 /nfs/dbraw/zinc/39/86/80/295398680.db2.gz KKNHDNHPOIOPID-NSHDSACASA-N 1 2 322.359 2.547 20 70 DFIDLO O=[N+]([O-])c1cc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cs1 ZINC000161347269 295402068 /nfs/dbraw/zinc/40/20/68/295402068.db2.gz LEXHWCLQCWVYFU-NSHDSACASA-N 1 2 324.324 2.792 20 70 DFIDLO C[S@](=O)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000159576454 186128101 /nfs/dbraw/zinc/12/81/01/186128101.db2.gz QJBMGWXEUCAFGF-YEJXKQKISA-N 1 2 324.427 2.866 20 70 DFIDLO CC1=C(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000159668281 186134300 /nfs/dbraw/zinc/13/43/00/186134300.db2.gz WFFIWSJAJDNBAX-UHFFFAOYSA-N 1 2 316.401 2.542 20 70 DFIDLO c1cn(CCSc2nnc(-c3cccnc3)n2C2CC2)c[nH+]1 ZINC000159738551 186138465 /nfs/dbraw/zinc/13/84/65/186138465.db2.gz GLEOYMBFQPMETM-UHFFFAOYSA-N 1 2 312.402 2.664 20 70 DFIDLO Cc1cc(N[C@H]2CCc3nc(C(C)C)nn3C2)c(C#N)c(C)[nH+]1 ZINC000160662069 197429533 /nfs/dbraw/zinc/42/95/33/197429533.db2.gz OKKIUFWYIZDRLA-ZDUSSCGKSA-N 1 2 310.405 2.712 20 70 DFIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC2(CCC2)C1 ZINC000160063162 197383071 /nfs/dbraw/zinc/38/30/71/197383071.db2.gz PKYPORHTFBLHSB-UHFFFAOYSA-N 1 2 314.433 2.767 20 70 DFIDLO O=C(Nc1cccc(F)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159781132 197364682 /nfs/dbraw/zinc/36/46/82/197364682.db2.gz RKVBYZYAHXXCAA-CQSZACIVSA-N 1 2 300.337 2.621 20 70 DFIDLO CCO[C@@H](CC)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161415138 542729543 /nfs/dbraw/zinc/72/95/43/542729543.db2.gz BOWOYPDAXOQYPQ-INIZCTEOSA-N 1 2 324.852 2.799 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(OC(F)F)cc2)n1 ZINC000160522304 425985688 /nfs/dbraw/zinc/98/56/88/425985688.db2.gz LEAQULMKUPAODN-UHFFFAOYSA-N 1 2 323.343 2.978 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)n1 ZINC000160522304 425985691 /nfs/dbraw/zinc/98/56/91/425985691.db2.gz LEAQULMKUPAODN-UHFFFAOYSA-N 1 2 323.343 2.978 20 70 DFIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000160607430 425989581 /nfs/dbraw/zinc/98/95/81/425989581.db2.gz GEHIOXRETGAXHL-XJKSGUPXSA-N 1 2 319.449 2.762 20 70 DFIDLO Cn1c(C[N@H+](C)CCOc2ccccc2)nnc1-c1ccccc1 ZINC000160684302 425992204 /nfs/dbraw/zinc/99/22/04/425992204.db2.gz SPHVXNWUWODWRR-UHFFFAOYSA-N 1 2 322.412 2.993 20 70 DFIDLO Cn1c(C[N@@H+](C)CCOc2ccccc2)nnc1-c1ccccc1 ZINC000160684302 425992205 /nfs/dbraw/zinc/99/22/05/425992205.db2.gz SPHVXNWUWODWRR-UHFFFAOYSA-N 1 2 322.412 2.993 20 70 DFIDLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160695299 425993318 /nfs/dbraw/zinc/99/33/18/425993318.db2.gz HNHPRMDJYAMLOJ-ZDUSSCGKSA-N 1 2 300.358 2.851 20 70 DFIDLO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC2(C1)OCCO2 ZINC000160695299 425993320 /nfs/dbraw/zinc/99/33/20/425993320.db2.gz HNHPRMDJYAMLOJ-ZDUSSCGKSA-N 1 2 300.358 2.851 20 70 DFIDLO CC(C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160700383 425993454 /nfs/dbraw/zinc/99/34/54/425993454.db2.gz JYDVMYGYIVKPQR-HUUCEWRRSA-N 1 2 311.376 2.665 20 70 DFIDLO CC(C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160700383 425993456 /nfs/dbraw/zinc/99/34/56/425993456.db2.gz JYDVMYGYIVKPQR-HUUCEWRRSA-N 1 2 311.376 2.665 20 70 DFIDLO CC[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702403 425993560 /nfs/dbraw/zinc/99/35/60/425993560.db2.gz YTGIQGDASYFYPW-WKPIXPDZSA-N 1 2 311.376 2.808 20 70 DFIDLO CC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160702403 425993562 /nfs/dbraw/zinc/99/35/62/425993562.db2.gz YTGIQGDASYFYPW-WKPIXPDZSA-N 1 2 311.376 2.808 20 70 DFIDLO CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705105 425993621 /nfs/dbraw/zinc/99/36/21/425993621.db2.gz ASABNQVVNBJHBD-LSDHHAIUSA-N 1 2 311.376 2.809 20 70 DFIDLO CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705105 425993623 /nfs/dbraw/zinc/99/36/23/425993623.db2.gz ASABNQVVNBJHBD-LSDHHAIUSA-N 1 2 311.376 2.809 20 70 DFIDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccnn1C ZINC000160739978 425994833 /nfs/dbraw/zinc/99/48/33/425994833.db2.gz WFLVEERTFWCGOH-UHFFFAOYSA-N 1 2 300.406 2.579 20 70 DFIDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccnn1C ZINC000160739978 425994836 /nfs/dbraw/zinc/99/48/36/425994836.db2.gz WFLVEERTFWCGOH-UHFFFAOYSA-N 1 2 300.406 2.579 20 70 DFIDLO Cc1nc(N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc[nH+]1 ZINC000160921017 426001423 /nfs/dbraw/zinc/00/14/23/426001423.db2.gz JZFFTXSFUQKZSL-AWEZNQCLSA-N 1 2 306.373 2.912 20 70 DFIDLO CC[C@H]1CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160941806 426002535 /nfs/dbraw/zinc/00/25/35/426002535.db2.gz NLPYDVWVHQHIKZ-GWCFXTLKSA-N 1 2 311.223 2.707 20 70 DFIDLO CC[C@H]1CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160941806 426002537 /nfs/dbraw/zinc/00/25/37/426002537.db2.gz NLPYDVWVHQHIKZ-GWCFXTLKSA-N 1 2 311.223 2.707 20 70 DFIDLO N#CCCN(Cc1ccco1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000159575381 425962750 /nfs/dbraw/zinc/96/27/50/425962750.db2.gz BCIYTVMLTSVEHU-UHFFFAOYSA-N 1 2 305.341 2.715 20 70 DFIDLO C[C@H](SCC[NH+]1CCOCC1)c1nc(-c2ccccc2)no1 ZINC000159920661 425969934 /nfs/dbraw/zinc/96/99/34/425969934.db2.gz YAWIEIRAMFUMPH-ZDUSSCGKSA-N 1 2 319.430 2.863 20 70 DFIDLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)cc[nH+]1 ZINC000159924799 425970531 /nfs/dbraw/zinc/97/05/31/425970531.db2.gz ZZKXXEHCKBRTHL-IUODEOHRSA-N 1 2 315.398 2.610 20 70 DFIDLO CCc1ccc(CC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000160039593 425973482 /nfs/dbraw/zinc/97/34/82/425973482.db2.gz QABLITWTAHTKCN-UHFFFAOYSA-N 1 2 311.429 2.683 20 70 DFIDLO O=C(NCCc1ccc(Cl)s1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160072814 425974184 /nfs/dbraw/zinc/97/41/84/425974184.db2.gz USOPQVAKVMLDBA-SNVBAGLBSA-N 1 2 309.822 2.519 20 70 DFIDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)NCc1ccccc1 ZINC000160074881 425974663 /nfs/dbraw/zinc/97/46/63/425974663.db2.gz MAJBOZBXYKEIQR-CYBMUJFWSA-N 1 2 316.376 2.801 20 70 DFIDLO O=C(NCCc1cccc(O)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000160182680 425976127 /nfs/dbraw/zinc/97/61/27/425976127.db2.gz AVHGONMCMCRCLE-UHFFFAOYSA-N 1 2 321.380 2.610 20 70 DFIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cncc2ccccc21 ZINC000161426004 426023096 /nfs/dbraw/zinc/02/30/96/426023096.db2.gz HYVXOGCFBTZPLJ-OAHLLOKOSA-N 1 2 318.380 2.639 20 70 DFIDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000161452970 426024523 /nfs/dbraw/zinc/02/45/23/426024523.db2.gz LWJQEDHDQANSKX-HNNXBMFYSA-N 1 2 307.401 2.540 20 70 DFIDLO Cc1noc([C@@H]2COCC[N@@H+]2C[C@@H]2CCc3ccccc3C2)n1 ZINC000161129745 426010456 /nfs/dbraw/zinc/01/04/56/426010456.db2.gz COBGSZPCJHZYIY-PBHICJAKSA-N 1 2 313.401 2.556 20 70 DFIDLO Cc1noc([C@@H]2COCC[N@H+]2C[C@@H]2CCc3ccccc3C2)n1 ZINC000161129745 426010458 /nfs/dbraw/zinc/01/04/58/426010458.db2.gz COBGSZPCJHZYIY-PBHICJAKSA-N 1 2 313.401 2.556 20 70 DFIDLO C[C@@H]1CCCN(c2cc(N(C)CC3CCOCC3)[nH+]cn2)C1 ZINC000161251952 426014639 /nfs/dbraw/zinc/01/46/39/426014639.db2.gz UEUPUWCYBHFRLV-CQSZACIVSA-N 1 2 304.438 2.576 20 70 DFIDLO C[C@@H]1CCCN(c2cc(N(C)CC3CCOCC3)nc[nH+]2)C1 ZINC000161251952 426014642 /nfs/dbraw/zinc/01/46/42/426014642.db2.gz UEUPUWCYBHFRLV-CQSZACIVSA-N 1 2 304.438 2.576 20 70 DFIDLO CNC(=O)c1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000161245584 426014742 /nfs/dbraw/zinc/01/47/42/426014742.db2.gz PXZITELEVDDXBO-UHFFFAOYSA-N 1 2 306.369 2.844 20 70 DFIDLO CCc1nnc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)[nH]1 ZINC000161241631 426014822 /nfs/dbraw/zinc/01/48/22/426014822.db2.gz GEEZGXCADWIDSM-CQSZACIVSA-N 1 2 316.405 2.540 20 70 DFIDLO CSCc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161268877 426016133 /nfs/dbraw/zinc/01/61/33/426016133.db2.gz CSCFBGXKQQOUSZ-ZDUSSCGKSA-N 1 2 301.415 2.947 20 70 DFIDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(F)c1F ZINC000159440548 295376742 /nfs/dbraw/zinc/37/67/42/295376742.db2.gz WUUXTFWIRAABTA-QLJPJBMISA-N 1 2 315.323 2.714 20 70 DFIDLO CCO[C@H](C)c1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159846920 295382560 /nfs/dbraw/zinc/38/25/60/295382560.db2.gz UGFHHDRQGLNGSJ-GFCCVEGCSA-N 1 2 316.492 2.806 20 70 DFIDLO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1nc(C2CC2)no1 ZINC000159854753 295382735 /nfs/dbraw/zinc/38/27/35/295382735.db2.gz YVLAMWSGCQAHNN-VXGBXAGGSA-N 1 2 324.388 2.940 20 70 DFIDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)o1 ZINC000159873195 295383244 /nfs/dbraw/zinc/38/32/44/295383244.db2.gz WBLYLRJDQOLXGA-NWDGAFQWSA-N 1 2 312.377 2.625 20 70 DFIDLO Cn1cc[nH+]c1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000160878383 295396213 /nfs/dbraw/zinc/39/62/13/295396213.db2.gz CTVPPYIIPLFMIX-MRXNPFEDSA-N 1 2 303.381 2.740 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000161077539 295398776 /nfs/dbraw/zinc/39/87/76/295398776.db2.gz PRTNDVPFCDEPJW-GFCCVEGCSA-N 1 2 320.824 2.923 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000161077539 295398777 /nfs/dbraw/zinc/39/87/77/295398777.db2.gz PRTNDVPFCDEPJW-GFCCVEGCSA-N 1 2 320.824 2.923 20 70 DFIDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1cccnc1 ZINC000159741142 332697606 /nfs/dbraw/zinc/69/76/06/332697606.db2.gz ZWPFNKNBLSLJSI-UHFFFAOYSA-N 1 2 312.402 2.515 20 70 DFIDLO CSC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000217858134 337082028 /nfs/dbraw/zinc/08/20/28/337082028.db2.gz PRTONERJCYJBGC-LBPRGKRZSA-N 1 2 310.246 2.903 20 70 DFIDLO C[C@H](c1nc(Cc2ccccc2)no1)N1CC[NH+](C2CC2)CC1 ZINC000159719900 186137360 /nfs/dbraw/zinc/13/73/60/186137360.db2.gz QMOBSRNEQUAINE-CQSZACIVSA-N 1 2 312.417 2.501 20 70 DFIDLO CC[NH+]1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000159719682 186137483 /nfs/dbraw/zinc/13/74/83/186137483.db2.gz RYDLDMTYUHTMHN-UHFFFAOYSA-N 1 2 304.619 2.639 20 70 DFIDLO C#CCCCCNC(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000160068687 197383218 /nfs/dbraw/zinc/38/32/18/197383218.db2.gz WZFXZAIFWIMETH-UHFFFAOYSA-N 1 2 302.422 2.531 20 70 DFIDLO O=C(Nc1ccc(F)cc1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159884050 197370831 /nfs/dbraw/zinc/37/08/31/197370831.db2.gz FNYGXDYXLPDLCH-GFCCVEGCSA-N 1 2 318.327 2.760 20 70 DFIDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000159861143 197368890 /nfs/dbraw/zinc/36/88/90/197368890.db2.gz FBKFVSFHTDOQGE-JTQLQIEISA-N 1 2 311.307 2.924 20 70 DFIDLO Cc1ccc(C)c(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159832048 197367668 /nfs/dbraw/zinc/36/76/68/197367668.db2.gz VDHOYPZBNUFPHP-OAHLLOKOSA-N 1 2 322.474 2.696 20 70 DFIDLO Cc1ccc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c(C)c1 ZINC000159788606 197364078 /nfs/dbraw/zinc/36/40/78/197364078.db2.gz NQBXYXUULQVUTN-OAHLLOKOSA-N 1 2 322.474 2.696 20 70 DFIDLO CCCCSCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000159476627 197357243 /nfs/dbraw/zinc/35/72/43/197357243.db2.gz XHMVZEUNCKTHTK-UHFFFAOYSA-N 1 2 318.446 2.807 20 70 DFIDLO Cc1cccn2cc(CNC(=O)[C@H]3OCCc4ccccc43)[nH+]c12 ZINC000159448561 197354406 /nfs/dbraw/zinc/35/44/06/197354406.db2.gz KXWWLOWDZVNKLJ-KRWDZBQOSA-N 1 2 321.380 2.573 20 70 DFIDLO CCCn1c(=O)c2ccccc2nc1SCCn1cc[nH+]c1 ZINC000159421291 197352692 /nfs/dbraw/zinc/35/26/92/197352692.db2.gz IPYHITORJHFTAJ-UHFFFAOYSA-N 1 2 314.414 2.795 20 70 DFIDLO Cc1cccn2cc(CCNC(=O)C[C@@H](C)c3ccncc3)[nH+]c12 ZINC000161211917 542727961 /nfs/dbraw/zinc/72/79/61/542727961.db2.gz DSSNKLCKKANVFF-OAHLLOKOSA-N 1 2 322.412 2.890 20 70 DFIDLO C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC000161283990 542728900 /nfs/dbraw/zinc/72/89/00/542728900.db2.gz VSIILEIHDZIHKJ-CYBMUJFWSA-N 1 2 317.364 2.580 20 70 DFIDLO O=C(/C=C\c1ccc(Br)cc1)NCc1[nH]cc[nH+]1 ZINC000217006968 268138513 /nfs/dbraw/zinc/13/85/13/268138513.db2.gz PYZDJASRIHKPKG-UTCJRWHESA-N 1 2 306.163 2.502 20 70 DFIDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160423083 425981259 /nfs/dbraw/zinc/98/12/59/425981259.db2.gz CRQUSQJHSKBOEL-JSGCOSHPSA-N 1 2 315.421 2.951 20 70 DFIDLO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160452107 425982924 /nfs/dbraw/zinc/98/29/24/425982924.db2.gz VFBXTUJQHDUZJS-ZDUSSCGKSA-N 1 2 318.327 2.760 20 70 DFIDLO N#Cc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[nH]1 ZINC000160515716 425985544 /nfs/dbraw/zinc/98/55/44/425985544.db2.gz OTUFZTZHJHLDSC-UHFFFAOYSA-N 1 2 315.402 2.581 20 70 DFIDLO CC[N@H+](Cc1ccc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160531908 425986127 /nfs/dbraw/zinc/98/61/27/425986127.db2.gz LGFNAGRJWSFUKW-OAHLLOKOSA-N 1 2 319.426 2.956 20 70 DFIDLO CC[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160531908 425986129 /nfs/dbraw/zinc/98/61/29/425986129.db2.gz LGFNAGRJWSFUKW-OAHLLOKOSA-N 1 2 319.426 2.956 20 70 DFIDLO O=C(NCCn1cc[nH+]c1)NCC1(c2ccccc2Cl)CC1 ZINC000160648677 425990796 /nfs/dbraw/zinc/99/07/96/425990796.db2.gz ODQQHNXSNGFKEQ-UHFFFAOYSA-N 1 2 318.808 2.568 20 70 DFIDLO Cc1cc(C#N)ccc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160948580 426002514 /nfs/dbraw/zinc/00/25/14/426002514.db2.gz QCUFCEGOZDLFAW-UHFFFAOYSA-N 1 2 320.396 2.792 20 70 DFIDLO CC[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160941678 426002807 /nfs/dbraw/zinc/00/28/07/426002807.db2.gz NLPYDVWVHQHIKZ-MFKMUULPSA-N 1 2 311.223 2.707 20 70 DFIDLO CC[C@@H]1CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160941678 426002808 /nfs/dbraw/zinc/00/28/08/426002808.db2.gz NLPYDVWVHQHIKZ-MFKMUULPSA-N 1 2 311.223 2.707 20 70 DFIDLO CC[C@H]1c2cccn2CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000159885079 425970368 /nfs/dbraw/zinc/97/03/68/425970368.db2.gz WSOIMVRRWMWOLA-HNNXBMFYSA-N 1 2 321.384 2.676 20 70 DFIDLO CC[C@@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)c1c(C)noc1C ZINC000159991863 425971506 /nfs/dbraw/zinc/97/15/06/425971506.db2.gz JSAZKEMQHSGFNR-QWHCGFSZSA-N 1 2 302.378 2.633 20 70 DFIDLO CC[C@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1c(C)noc1C ZINC000159991548 425971830 /nfs/dbraw/zinc/97/18/30/425971830.db2.gz JSAZKEMQHSGFNR-OLZOCXBDSA-N 1 2 302.378 2.633 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000160106017 425973777 /nfs/dbraw/zinc/97/37/77/425973777.db2.gz KNWWGVFGJZDWKH-AEFFLSMTSA-N 1 2 314.433 2.581 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000160106017 425973780 /nfs/dbraw/zinc/97/37/80/425973780.db2.gz KNWWGVFGJZDWKH-AEFFLSMTSA-N 1 2 314.433 2.581 20 70 DFIDLO c1nc(N2CCCCC2)cc(N[C@H]2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000160316767 425979207 /nfs/dbraw/zinc/97/92/07/425979207.db2.gz HXBUOPWLYQKYLH-GJZGRUSLSA-N 1 2 302.422 2.836 20 70 DFIDLO c1nc(N[C@H]2CCO[C@H](C3CC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000160316767 425979210 /nfs/dbraw/zinc/97/92/10/425979210.db2.gz HXBUOPWLYQKYLH-GJZGRUSLSA-N 1 2 302.422 2.836 20 70 DFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cncc2ccccc21 ZINC000161426146 426022870 /nfs/dbraw/zinc/02/28/70/426022870.db2.gz HYVXOGCFBTZPLJ-HNNXBMFYSA-N 1 2 318.380 2.639 20 70 DFIDLO O=C(Nc1ccc(Cl)nc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161275322 426015731 /nfs/dbraw/zinc/01/57/31/426015731.db2.gz BZXQJHZUJJTVFX-GFCCVEGCSA-N 1 2 317.780 2.530 20 70 DFIDLO COCCCCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161284152 426017251 /nfs/dbraw/zinc/01/72/51/426017251.db2.gz QZEFHQSCVLXOPQ-UHFFFAOYSA-N 1 2 324.852 2.801 20 70 DFIDLO CCCn1c(C)nnc1C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000161370526 426020790 /nfs/dbraw/zinc/02/07/90/426020790.db2.gz HROUJXZQLMKEHA-CABCVRRESA-N 1 2 306.454 2.776 20 70 DFIDLO CCCn1c(C)nnc1C[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000161370526 426020793 /nfs/dbraw/zinc/02/07/93/426020793.db2.gz HROUJXZQLMKEHA-CABCVRRESA-N 1 2 306.454 2.776 20 70 DFIDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160422968 278586941 /nfs/dbraw/zinc/58/69/41/278586941.db2.gz CRQUSQJHSKBOEL-OCCSQVGLSA-N 1 2 315.421 2.951 20 70 DFIDLO Cc1c[nH+]ccc1NC(=O)CCN1C(=O)CCc2ccccc21 ZINC000159388260 295376067 /nfs/dbraw/zinc/37/60/67/295376067.db2.gz OEGYJBOOEPUWQE-UHFFFAOYSA-N 1 2 309.369 2.698 20 70 DFIDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(F)c1F ZINC000159440156 295376775 /nfs/dbraw/zinc/37/67/75/295376775.db2.gz WUUXTFWIRAABTA-QFYYESIMSA-N 1 2 315.323 2.714 20 70 DFIDLO Cc1[nH+]c2ccccn2c1CN(CCC(N)=O)c1cccc(C)c1 ZINC000159533140 295378137 /nfs/dbraw/zinc/37/81/37/295378137.db2.gz KQYAWOJIGHHGCT-UHFFFAOYSA-N 1 2 322.412 2.833 20 70 DFIDLO CC[N@H+](Cc1cccc(O)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159908764 295383450 /nfs/dbraw/zinc/38/34/50/295383450.db2.gz NWTSMXZSSXFWHB-UHFFFAOYSA-N 1 2 309.369 2.651 20 70 DFIDLO CC[N@@H+](Cc1cccc(O)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159908764 295383452 /nfs/dbraw/zinc/38/34/52/295383452.db2.gz NWTSMXZSSXFWHB-UHFFFAOYSA-N 1 2 309.369 2.651 20 70 DFIDLO C[C@@H]1CCCN(c2cc(N(C)CCC3CCOCC3)[nH+]cn2)C1 ZINC000160536837 295392342 /nfs/dbraw/zinc/39/23/42/295392342.db2.gz GFLVOOMLFDLNIE-OAHLLOKOSA-N 1 2 318.465 2.966 20 70 DFIDLO C[C@@H]1CCCN(c2cc(N(C)CCC3CCOCC3)nc[nH+]2)C1 ZINC000160536837 295392345 /nfs/dbraw/zinc/39/23/45/295392345.db2.gz GFLVOOMLFDLNIE-OAHLLOKOSA-N 1 2 318.465 2.966 20 70 DFIDLO Cc1cccc2nc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)[nH]c21 ZINC000160578024 295392883 /nfs/dbraw/zinc/39/28/83/295392883.db2.gz ULMBZSIXXVECFS-SFHVURJKSA-N 1 2 322.412 2.790 20 70 DFIDLO Cn1cnnc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000160694180 295394568 /nfs/dbraw/zinc/39/45/68/295394568.db2.gz VEAJQWWNEPYOPS-UHFFFAOYSA-N 1 2 313.430 2.804 20 70 DFIDLO CCn1cc[nH+]c1CN(C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000160760750 295395153 /nfs/dbraw/zinc/39/51/53/295395153.db2.gz VINJKLXDORBEDI-UHFFFAOYSA-N 1 2 314.433 2.899 20 70 DFIDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(C)nn(C)c1C)c1nccs1 ZINC000161099727 295398462 /nfs/dbraw/zinc/39/84/62/295398462.db2.gz LDCYHAYAJWUHFF-CMPLNLGQSA-N 1 2 321.450 2.561 20 70 DFIDLO CCN(Cc1cnn(C)c1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000161121645 521440593 /nfs/dbraw/zinc/44/05/93/521440593.db2.gz YZAOXCTWXMAJAK-UHFFFAOYSA-N 1 2 309.417 2.687 20 70 DFIDLO O=[N+]([O-])c1ccc(SCc2ccc(-n3cc[nH+]c3)nc2)nc1 ZINC000160366142 527376849 /nfs/dbraw/zinc/37/68/49/527376849.db2.gz FLPHYBPJXIQFPT-UHFFFAOYSA-N 1 2 313.342 2.863 20 70 DFIDLO CSCCCCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159500363 197358984 /nfs/dbraw/zinc/35/89/84/197358984.db2.gz YSPLNZGVUDEACF-UHFFFAOYSA-N 1 2 307.463 2.831 20 70 DFIDLO C[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)C1CCC1 ZINC000161435057 542729870 /nfs/dbraw/zinc/72/98/70/542729870.db2.gz HTTYAVSHDBIRRN-CQSZACIVSA-N 1 2 317.433 2.829 20 70 DFIDLO O=C(/C=C\c1cccc(Br)c1)NCc1[nH]cc[nH+]1 ZINC000217007930 268138447 /nfs/dbraw/zinc/13/84/47/268138447.db2.gz LUPOJMMZWSLWRM-PLNGDYQASA-N 1 2 306.163 2.502 20 70 DFIDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)CC[C@@H]1O ZINC000159429937 425960634 /nfs/dbraw/zinc/96/06/34/425960634.db2.gz XZAONJGOAXXWCW-RNCFNFMXSA-N 1 2 302.187 2.791 20 70 DFIDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)CC[C@@H]1O ZINC000159429937 425960637 /nfs/dbraw/zinc/96/06/37/425960637.db2.gz XZAONJGOAXXWCW-RNCFNFMXSA-N 1 2 302.187 2.791 20 70 DFIDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2F)CC[C@@H]1O ZINC000159430025 425960896 /nfs/dbraw/zinc/96/08/96/425960896.db2.gz XZAONJGOAXXWCW-ZANVPECISA-N 1 2 302.187 2.791 20 70 DFIDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2F)CC[C@@H]1O ZINC000159430025 425960898 /nfs/dbraw/zinc/96/08/98/425960898.db2.gz XZAONJGOAXXWCW-ZANVPECISA-N 1 2 302.187 2.791 20 70 DFIDLO O=C(NCCc1ccc2ccccc2c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159816006 425967241 /nfs/dbraw/zinc/96/72/41/425967241.db2.gz KZJFHYMSYUSYFZ-GOSISDBHSA-N 1 2 319.408 2.958 20 70 DFIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc2ncccc21 ZINC000161406185 426023654 /nfs/dbraw/zinc/02/36/54/426023654.db2.gz AMQVGMBQGIWAEY-AWEZNQCLSA-N 1 2 318.380 2.639 20 70 DFIDLO Cc1cc(-c2nnc(C[N@H+](C)C[C@H]3CCCCO3)o2)c(C)o1 ZINC000161449666 426024489 /nfs/dbraw/zinc/02/44/89/426024489.db2.gz VGOBCIQUTYDFFE-CYBMUJFWSA-N 1 2 305.378 2.947 20 70 DFIDLO Cc1cc(-c2nnc(C[N@@H+](C)C[C@H]3CCCCO3)o2)c(C)o1 ZINC000161449666 426024491 /nfs/dbraw/zinc/02/44/91/426024491.db2.gz VGOBCIQUTYDFFE-CYBMUJFWSA-N 1 2 305.378 2.947 20 70 DFIDLO CCC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000161458351 426024538 /nfs/dbraw/zinc/02/45/38/426024538.db2.gz JAIJXNPOSSAQGT-AWEZNQCLSA-N 1 2 306.431 2.655 20 70 DFIDLO CCC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000161458351 426024541 /nfs/dbraw/zinc/02/45/41/426024541.db2.gz JAIJXNPOSSAQGT-AWEZNQCLSA-N 1 2 306.431 2.655 20 70 DFIDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000161113294 426008966 /nfs/dbraw/zinc/00/89/66/426008966.db2.gz QIDLISVSHVPGIX-UHFFFAOYSA-N 1 2 324.428 2.558 20 70 DFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000161168516 426011178 /nfs/dbraw/zinc/01/11/78/426011178.db2.gz OBDWEEYMWQSLOD-UHFFFAOYSA-N 1 2 318.320 2.554 20 70 DFIDLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000161166620 426011316 /nfs/dbraw/zinc/01/13/16/426011316.db2.gz UVWWQRMYXHFQLS-TZMCWYRMSA-N 1 2 302.447 2.982 20 70 DFIDLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nsc(N(C)C)n1 ZINC000161166620 426011318 /nfs/dbraw/zinc/01/13/18/426011318.db2.gz UVWWQRMYXHFQLS-TZMCWYRMSA-N 1 2 302.447 2.982 20 70 DFIDLO O=C(c1cnc(-c2ccco2)s1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000216844657 426561872 /nfs/dbraw/zinc/56/18/72/426561872.db2.gz VGKBSCZOTUDRRU-GFCCVEGCSA-N 1 2 317.414 2.713 20 70 DFIDLO O=C(c1cnc(-c2ccco2)s1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000216844657 426561874 /nfs/dbraw/zinc/56/18/74/426561874.db2.gz VGKBSCZOTUDRRU-GFCCVEGCSA-N 1 2 317.414 2.713 20 70 DFIDLO CCc1nnc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000159470654 295377438 /nfs/dbraw/zinc/37/74/38/295377438.db2.gz UYTKTEBJWIGMLM-ZDUSSCGKSA-N 1 2 318.396 2.650 20 70 DFIDLO CCOc1cncc(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159724692 295380943 /nfs/dbraw/zinc/38/09/43/295380943.db2.gz FMMAJAQBFHTZJT-UHFFFAOYSA-N 1 2 323.400 2.757 20 70 DFIDLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)n1 ZINC000159870484 295382896 /nfs/dbraw/zinc/38/28/96/295382896.db2.gz UTEWYZVYSABXBH-NWDGAFQWSA-N 1 2 312.377 2.625 20 70 DFIDLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000160288649 295389277 /nfs/dbraw/zinc/38/92/77/295389277.db2.gz QPPRBDIGVNZMQS-ZIFCJYIRSA-N 1 2 316.445 2.612 20 70 DFIDLO O=C(NCCc1cn2ccccc2[nH+]1)c1nc2ccccc2s1 ZINC000160819923 295395666 /nfs/dbraw/zinc/39/56/66/295395666.db2.gz ADFVQTPLMBHAJE-UHFFFAOYSA-N 1 2 322.393 2.917 20 70 DFIDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159719153 186137343 /nfs/dbraw/zinc/13/73/43/186137343.db2.gz OXNQJWNLBVLIKL-VYDXJSESSA-N 1 2 304.434 2.723 20 70 DFIDLO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159719153 186137344 /nfs/dbraw/zinc/13/73/44/186137344.db2.gz OXNQJWNLBVLIKL-VYDXJSESSA-N 1 2 304.434 2.723 20 70 DFIDLO CCOC(=O)C[N@H+](C)CCOc1ccccc1C(F)(F)F ZINC000159515429 398965029 /nfs/dbraw/zinc/96/50/29/398965029.db2.gz XJYAXKBFBMDLKR-UHFFFAOYSA-N 1 2 305.296 2.579 20 70 DFIDLO CCOC(=O)C[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000159515429 398965034 /nfs/dbraw/zinc/96/50/34/398965034.db2.gz XJYAXKBFBMDLKR-UHFFFAOYSA-N 1 2 305.296 2.579 20 70 DFIDLO CS[C@@H](C)CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000161004020 398974322 /nfs/dbraw/zinc/97/43/22/398974322.db2.gz FCAJPPLNUDEOSV-ZDUSSCGKSA-N 1 2 308.447 2.599 20 70 DFIDLO CC(C)c1cccc(NC(=O)CSCC[NH+]2CCOCC2)c1 ZINC000160016089 197380095 /nfs/dbraw/zinc/38/00/95/197380095.db2.gz QUNDAKBERBQRML-UHFFFAOYSA-N 1 2 322.474 2.814 20 70 DFIDLO CC[N@@H+]1CC[C@H](NC[C@@H](C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000159802965 197365212 /nfs/dbraw/zinc/36/52/12/197365212.db2.gz XZNSYDBVDMKYOI-HLIPFELVSA-N 1 2 315.505 2.753 20 70 DFIDLO CC[N@H+]1CC[C@H](NC[C@@H](C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000159802965 197365214 /nfs/dbraw/zinc/36/52/14/197365214.db2.gz XZNSYDBVDMKYOI-HLIPFELVSA-N 1 2 315.505 2.753 20 70 DFIDLO CCCOc1ccc(OCC[N@@H+]2CCCC[C@H]2C(=O)OC)cc1 ZINC000216904216 268138397 /nfs/dbraw/zinc/13/83/97/268138397.db2.gz COIBKNFFKZWNEO-KRWDZBQOSA-N 1 2 321.417 2.882 20 70 DFIDLO CCCOc1ccc(OCC[N@H+]2CCCC[C@H]2C(=O)OC)cc1 ZINC000216904216 268138401 /nfs/dbraw/zinc/13/84/01/268138401.db2.gz COIBKNFFKZWNEO-KRWDZBQOSA-N 1 2 321.417 2.882 20 70 DFIDLO CN(C)c1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)c(F)c1 ZINC000160441403 425983308 /nfs/dbraw/zinc/98/33/08/425983308.db2.gz XNUPVSXIPCSWTO-UHFFFAOYSA-N 1 2 302.353 2.605 20 70 DFIDLO C=CC[NH+](CC=C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000160553740 425987434 /nfs/dbraw/zinc/98/74/34/425987434.db2.gz SGIMQHANKGSFFL-UHFFFAOYSA-N 1 2 312.369 2.811 20 70 DFIDLO Cc1cc(N2CCO[C@H](c3nccs3)C2)c(C#N)c(C)[nH+]1 ZINC000160628627 425990391 /nfs/dbraw/zinc/99/03/91/425990391.db2.gz HDJBLJHSOSAJSC-AWEZNQCLSA-N 1 2 300.387 2.605 20 70 DFIDLO O=C(NCCn1cc[nH+]c1)NCC1(c2cccc(Cl)c2)CC1 ZINC000160803142 425996501 /nfs/dbraw/zinc/99/65/01/425996501.db2.gz NLMPYDPRPQABLT-UHFFFAOYSA-N 1 2 318.808 2.568 20 70 DFIDLO CC[C@@H](c1ccncc1)N(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160829952 425997904 /nfs/dbraw/zinc/99/79/04/425997904.db2.gz NFJHCAABMCDAKA-HOCLYGCPSA-N 1 2 315.421 2.849 20 70 DFIDLO COC(=O)C1([N@H+](C)Cc2c(C)nc3ccccn32)CCCC1 ZINC000159428297 425960081 /nfs/dbraw/zinc/96/00/81/425960081.db2.gz NUHHRBXDELLUKQ-UHFFFAOYSA-N 1 2 301.390 2.560 20 70 DFIDLO COC(=O)C1([N@@H+](C)Cc2c(C)nc3ccccn32)CCCC1 ZINC000159428297 425960084 /nfs/dbraw/zinc/96/00/84/425960084.db2.gz NUHHRBXDELLUKQ-UHFFFAOYSA-N 1 2 301.390 2.560 20 70 DFIDLO CC(C)(C)c1nsc(N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000159419615 425960508 /nfs/dbraw/zinc/96/05/08/425960508.db2.gz YJTODCXEKUKCDQ-CYBMUJFWSA-N 1 2 324.494 2.527 20 70 DFIDLO CCCCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000159642764 425964822 /nfs/dbraw/zinc/96/48/22/425964822.db2.gz CSGNAJKTSKHPFY-UHFFFAOYSA-N 1 2 301.394 2.711 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)n1 ZINC000159839174 425969563 /nfs/dbraw/zinc/96/95/63/425969563.db2.gz BGOAOIOXMGZFKF-MRXNPFEDSA-N 1 2 310.463 2.740 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@@H+]2CCCS(=O)(=O)C(C)C)n1 ZINC000159839174 425969564 /nfs/dbraw/zinc/96/95/64/425969564.db2.gz BGOAOIOXMGZFKF-MRXNPFEDSA-N 1 2 310.463 2.740 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2cccs2)n1 ZINC000159926497 425970373 /nfs/dbraw/zinc/97/03/73/425970373.db2.gz URZCOQRRAVNNNW-INIZCTEOSA-N 1 2 315.442 2.905 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2cccs2)n1 ZINC000159926497 425970375 /nfs/dbraw/zinc/97/03/75/425970375.db2.gz URZCOQRRAVNNNW-INIZCTEOSA-N 1 2 315.442 2.905 20 70 DFIDLO Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000159948462 425971341 /nfs/dbraw/zinc/97/13/41/425971341.db2.gz ATPAIVAEECAVEC-AWEZNQCLSA-N 1 2 314.364 2.930 20 70 DFIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c(F)cc(F)cc1F ZINC000160040034 425973305 /nfs/dbraw/zinc/97/33/05/425973305.db2.gz QKWBSFWYMXJTEJ-UHFFFAOYSA-N 1 2 323.318 2.609 20 70 DFIDLO CCC[N@@H+](Cc1csnn1)C[C@H]1COc2ccccc2O1 ZINC000161425786 426022710 /nfs/dbraw/zinc/02/27/10/426022710.db2.gz LJRAYBYYFXQBIG-ZDUSSCGKSA-N 1 2 305.403 2.590 20 70 DFIDLO CCC[N@H+](Cc1csnn1)C[C@H]1COc2ccccc2O1 ZINC000161425786 426022711 /nfs/dbraw/zinc/02/27/11/426022711.db2.gz LJRAYBYYFXQBIG-ZDUSSCGKSA-N 1 2 305.403 2.590 20 70 DFIDLO Cc1[nH]ccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161437908 426023868 /nfs/dbraw/zinc/02/38/68/426023868.db2.gz QGGAZJWUHBLFSZ-UHFFFAOYSA-N 1 2 317.820 2.935 20 70 DFIDLO COc1ccc([NH2+]C2CCC(NC(C)=O)CC2)c(OC)c1OC ZINC000161111873 426009094 /nfs/dbraw/zinc/00/90/94/426009094.db2.gz QUDHQODSLBIJJK-UHFFFAOYSA-N 1 2 322.405 2.572 20 70 DFIDLO Cc1cccc(OCCN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161174849 426011385 /nfs/dbraw/zinc/01/13/85/426011385.db2.gz XNCPZLAUCBJCEK-UHFFFAOYSA-N 1 2 311.429 2.587 20 70 DFIDLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(C)(O)CC2)c(Cl)c1 ZINC000161217217 426013496 /nfs/dbraw/zinc/01/34/96/426013496.db2.gz NJVIWYVPPAWCRG-UHFFFAOYSA-N 1 2 310.825 2.742 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000161258914 426014950 /nfs/dbraw/zinc/01/49/50/426014950.db2.gz KBGDWOJCTNAOIW-MRXNPFEDSA-N 1 2 307.390 2.621 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(OC)cc(OC)c1 ZINC000161258914 426014952 /nfs/dbraw/zinc/01/49/52/426014952.db2.gz KBGDWOJCTNAOIW-MRXNPFEDSA-N 1 2 307.390 2.621 20 70 DFIDLO COc1ccc2cc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)ccc2n1 ZINC000161278863 426016942 /nfs/dbraw/zinc/01/69/42/426016942.db2.gz IBUWYNYLGJBZTC-CYBMUJFWSA-N 1 2 322.368 2.641 20 70 DFIDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000216934317 426562767 /nfs/dbraw/zinc/56/27/67/426562767.db2.gz YFNRTWVFTDYBCD-TZMCWYRMSA-N 1 2 307.344 2.623 20 70 DFIDLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000216934317 426562770 /nfs/dbraw/zinc/56/27/70/426562770.db2.gz YFNRTWVFTDYBCD-TZMCWYRMSA-N 1 2 307.344 2.623 20 70 DFIDLO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC2(CCC2)C1 ZINC000161224848 295099719 /nfs/dbraw/zinc/09/97/19/295099719.db2.gz MNOXNHOOKNUKRE-CYBMUJFWSA-N 1 2 323.234 2.852 20 70 DFIDLO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC2(CCC2)C1 ZINC000161224848 295099720 /nfs/dbraw/zinc/09/97/20/295099720.db2.gz MNOXNHOOKNUKRE-CYBMUJFWSA-N 1 2 323.234 2.852 20 70 DFIDLO COCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000159375709 295375789 /nfs/dbraw/zinc/37/57/89/295375789.db2.gz KFZLQXRNZNBACZ-UHFFFAOYSA-N 1 2 324.852 2.657 20 70 DFIDLO Cc1cc(C(=O)C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c(C)[nH]1 ZINC000159665545 295379842 /nfs/dbraw/zinc/37/98/42/295379842.db2.gz UIAMUKKWAVLSJQ-HXUWFJFHSA-N 1 2 324.424 2.988 20 70 DFIDLO Cc1cc(C(=O)C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c(C)[nH]1 ZINC000159665545 295379844 /nfs/dbraw/zinc/37/98/44/295379844.db2.gz UIAMUKKWAVLSJQ-HXUWFJFHSA-N 1 2 324.424 2.988 20 70 DFIDLO Cc1ccc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)cc1C ZINC000159787642 295381726 /nfs/dbraw/zinc/38/17/26/295381726.db2.gz WUVCQEZSDYWGBT-OAHLLOKOSA-N 1 2 322.474 2.696 20 70 DFIDLO COCC(C)(C)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000159830852 295382599 /nfs/dbraw/zinc/38/25/99/295382599.db2.gz FYBODRMQTFZUIZ-UHFFFAOYSA-N 1 2 324.852 2.657 20 70 DFIDLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000160028483 295385736 /nfs/dbraw/zinc/38/57/36/295385736.db2.gz GWNSAUOWLZFBAP-LBPRGKRZSA-N 1 2 305.809 2.911 20 70 DFIDLO c1cn(CCSc2nnc(CCc3ccccc3)o2)c[nH+]1 ZINC000160156322 295387205 /nfs/dbraw/zinc/38/72/05/295387205.db2.gz KGANICCVYLEUGY-UHFFFAOYSA-N 1 2 300.387 2.844 20 70 DFIDLO CC(C)Oc1cncc(C(=O)Nc2ccc[nH+]c2N(C)C)c1 ZINC000160446213 295391097 /nfs/dbraw/zinc/39/10/97/295391097.db2.gz WZUWWOIJJDDTIZ-UHFFFAOYSA-N 1 2 300.362 2.582 20 70 DFIDLO O=C(Cc1cn2ccccc2[nH+]1)Nc1cccc(OCCF)c1 ZINC000160478878 295391609 /nfs/dbraw/zinc/39/16/09/295391609.db2.gz GTBOLAYRROGOFL-UHFFFAOYSA-N 1 2 313.332 2.864 20 70 DFIDLO CS[C@@H](C)CC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000160523369 295392524 /nfs/dbraw/zinc/39/25/24/295392524.db2.gz LBKTVKFSBLQNAX-ZDUSSCGKSA-N 1 2 308.447 2.599 20 70 DFIDLO COC(=O)c1ccc([C@@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)o1 ZINC000160551267 295392539 /nfs/dbraw/zinc/39/25/39/295392539.db2.gz BBCRSXIXBBMJQK-LLVKDONJSA-N 1 2 303.362 2.730 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000161104094 295398533 /nfs/dbraw/zinc/39/85/33/295398533.db2.gz KKNHDNHPOIOPID-LLVKDONJSA-N 1 2 322.359 2.547 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000161104094 295398536 /nfs/dbraw/zinc/39/85/36/295398536.db2.gz KKNHDNHPOIOPID-LLVKDONJSA-N 1 2 322.359 2.547 20 70 DFIDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1c(C)nn(C)c1C)c1nccs1 ZINC000161099985 295398604 /nfs/dbraw/zinc/39/86/04/295398604.db2.gz LDCYHAYAJWUHFF-ZYHUDNBSSA-N 1 2 321.450 2.561 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000161098493 295398734 /nfs/dbraw/zinc/39/87/34/295398734.db2.gz AEYKMPVGPHMPKQ-HNNXBMFYSA-N 1 2 318.465 2.637 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000161098493 295398735 /nfs/dbraw/zinc/39/87/35/295398735.db2.gz AEYKMPVGPHMPKQ-HNNXBMFYSA-N 1 2 318.465 2.637 20 70 DFIDLO Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161167838 295399447 /nfs/dbraw/zinc/39/94/47/295399447.db2.gz NEXDQXLNWXDXJA-AWEZNQCLSA-N 1 2 322.412 2.594 20 70 DFIDLO CC(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159698969 186136553 /nfs/dbraw/zinc/13/65/53/186136553.db2.gz CNUMBSUVWQWRRV-INIZCTEOSA-N 1 2 324.384 2.685 20 70 DFIDLO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000160709871 283050382 /nfs/dbraw/zinc/05/03/82/283050382.db2.gz JGKKLUCUEWHQEW-ZIAGYGMSSA-N 1 2 311.376 2.808 20 70 DFIDLO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000160709871 283050385 /nfs/dbraw/zinc/05/03/85/283050385.db2.gz JGKKLUCUEWHQEW-ZIAGYGMSSA-N 1 2 311.376 2.808 20 70 DFIDLO CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccoc1 ZINC000160247727 398968559 /nfs/dbraw/zinc/96/85/59/398968559.db2.gz RCRWGAZYQSNOBO-UHFFFAOYSA-N 1 2 318.421 2.771 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccoc1 ZINC000160247727 398968567 /nfs/dbraw/zinc/96/85/67/398968567.db2.gz RCRWGAZYQSNOBO-UHFFFAOYSA-N 1 2 318.421 2.771 20 70 DFIDLO O[C@@H](C[NH+]1CCN(c2cccs2)CC1)c1cc(F)ccc1F ZINC000160303383 197399527 /nfs/dbraw/zinc/39/95/27/197399527.db2.gz MPXRCSAOUNGORR-HNNXBMFYSA-N 1 2 324.396 2.882 20 70 DFIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1c(C)n[nH]c1C ZINC000160254719 197395547 /nfs/dbraw/zinc/39/55/47/197395547.db2.gz GRUNWEXJGFYUFT-UHFFFAOYSA-N 1 2 322.359 2.765 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1c(C)n[nH]c1C ZINC000160254719 197395549 /nfs/dbraw/zinc/39/55/49/197395549.db2.gz GRUNWEXJGFYUFT-UHFFFAOYSA-N 1 2 322.359 2.765 20 70 DFIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(CO)o1 ZINC000160248614 197395624 /nfs/dbraw/zinc/39/56/24/197395624.db2.gz VZKMVDFVORWFIQ-UHFFFAOYSA-N 1 2 324.327 2.511 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(CO)o1 ZINC000160248614 197395625 /nfs/dbraw/zinc/39/56/25/197395625.db2.gz VZKMVDFVORWFIQ-UHFFFAOYSA-N 1 2 324.327 2.511 20 70 DFIDLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)s1 ZINC000160105976 197386494 /nfs/dbraw/zinc/38/64/94/197386494.db2.gz BCILQGNCLIEXKM-ZDUSSCGKSA-N 1 2 317.462 2.940 20 70 DFIDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)n1 ZINC000160083041 197384519 /nfs/dbraw/zinc/38/45/19/197384519.db2.gz NXORHCBEOOMXEV-HNNXBMFYSA-N 1 2 307.401 2.540 20 70 DFIDLO Cc1cc(F)c(C(=O)NCCc2cn3ccccc3[nH+]2)cc1F ZINC000160836675 542725156 /nfs/dbraw/zinc/72/51/56/542725156.db2.gz YTTQNHYWORTFDB-UHFFFAOYSA-N 1 2 315.323 2.893 20 70 DFIDLO O=C(N[C@H]1CCc2c1cccc2Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC000160423050 425981290 /nfs/dbraw/zinc/98/12/90/425981290.db2.gz VSOZQVVQWVKRMS-NHYWBVRUSA-N 1 2 315.804 2.903 20 70 DFIDLO Cc1nc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000160438180 425983173 /nfs/dbraw/zinc/98/31/73/425983173.db2.gz LLUFZNHRXHTUQS-UHFFFAOYSA-N 1 2 306.410 2.621 20 70 DFIDLO Cc1ccc(C#N)c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000160473981 425984046 /nfs/dbraw/zinc/98/40/46/425984046.db2.gz MNWOHTVSORYCQF-GOSISDBHSA-N 1 2 322.412 2.747 20 70 DFIDLO Cc1ccc(C#N)c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000160473861 425984081 /nfs/dbraw/zinc/98/40/81/425984081.db2.gz MNWOHTVSORYCQF-SFHVURJKSA-N 1 2 322.412 2.747 20 70 DFIDLO CCCOC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160469592 425984334 /nfs/dbraw/zinc/98/43/34/425984334.db2.gz DWBXKEYOONZZCQ-CQSZACIVSA-N 1 2 320.433 2.552 20 70 DFIDLO CCCOC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160469592 425984336 /nfs/dbraw/zinc/98/43/36/425984336.db2.gz DWBXKEYOONZZCQ-CQSZACIVSA-N 1 2 320.433 2.552 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccc(OC)cc2)C2CC2)n1 ZINC000160575890 425987249 /nfs/dbraw/zinc/98/72/49/425987249.db2.gz AEWQBXIKSGNOAC-UHFFFAOYSA-N 1 2 313.401 2.918 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccc(OC)cc2)C2CC2)n1 ZINC000160575890 425987251 /nfs/dbraw/zinc/98/72/51/425987251.db2.gz AEWQBXIKSGNOAC-UHFFFAOYSA-N 1 2 313.401 2.918 20 70 DFIDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1cccs1)C1CC1 ZINC000160754206 425994145 /nfs/dbraw/zinc/99/41/45/425994145.db2.gz OQBDJKCPTKBDCP-UHFFFAOYSA-N 1 2 301.477 2.926 20 70 DFIDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1cccs1)C1CC1 ZINC000160754206 425994148 /nfs/dbraw/zinc/99/41/48/425994148.db2.gz OQBDJKCPTKBDCP-UHFFFAOYSA-N 1 2 301.477 2.926 20 70 DFIDLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1 ZINC000159388570 425959383 /nfs/dbraw/zinc/95/93/83/425959383.db2.gz KNFOGORZLOHOID-ABAIWWIYSA-N 1 2 315.398 2.610 20 70 DFIDLO C[N@@H+](Cc1noc(-c2cccc(Cl)c2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159450010 425960216 /nfs/dbraw/zinc/96/02/16/425960216.db2.gz AJTWVSPHBWQCTB-JSGCOSHPSA-N 1 2 321.808 2.983 20 70 DFIDLO C[N@H+](Cc1noc(-c2cccc(Cl)c2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159450010 425960220 /nfs/dbraw/zinc/96/02/20/425960220.db2.gz AJTWVSPHBWQCTB-JSGCOSHPSA-N 1 2 321.808 2.983 20 70 DFIDLO CCOCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000159438478 425960250 /nfs/dbraw/zinc/96/02/50/425960250.db2.gz MYZBXAWJXRIRRQ-MRXNPFEDSA-N 1 2 301.390 2.904 20 70 DFIDLO CCOCCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000159438478 425960254 /nfs/dbraw/zinc/96/02/54/425960254.db2.gz MYZBXAWJXRIRRQ-MRXNPFEDSA-N 1 2 301.390 2.904 20 70 DFIDLO CC[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccc(F)cc1 ZINC000159597618 425964702 /nfs/dbraw/zinc/96/47/02/425964702.db2.gz IVSWDPSWGUOFSH-CVEARBPZSA-N 1 2 315.392 2.955 20 70 DFIDLO Cc1ccc([C@H](CNC(=O)[C@@H]2CC2(C)C)[NH+]2CCOCC2)cc1 ZINC000159757556 425967119 /nfs/dbraw/zinc/96/71/19/425967119.db2.gz DJMSAKIZXAOJME-IRXDYDNUSA-N 1 2 316.445 2.531 20 70 DFIDLO CSc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)ccc1F ZINC000160173242 425975290 /nfs/dbraw/zinc/97/52/90/425975290.db2.gz YTCZQOZUQJWJFL-GFCCVEGCSA-N 1 2 319.405 2.797 20 70 DFIDLO CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161480333 426025461 /nfs/dbraw/zinc/02/54/61/426025461.db2.gz HFVXEAYECBCYCA-LLVKDONJSA-N 1 2 321.783 2.897 20 70 DFIDLO Cc1sc2[nH]c(C[N@@H+]3CCCSCC3)nc(=O)c2c1C ZINC000161484790 426027047 /nfs/dbraw/zinc/02/70/47/426027047.db2.gz FFCPCJPXXCWLQN-UHFFFAOYSA-N 1 2 309.460 2.540 20 70 DFIDLO Cc1sc2[nH]c(C[N@H+]3CCCSCC3)nc(=O)c2c1C ZINC000161484790 426027051 /nfs/dbraw/zinc/02/70/51/426027051.db2.gz FFCPCJPXXCWLQN-UHFFFAOYSA-N 1 2 309.460 2.540 20 70 DFIDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1cnn(C)c1 ZINC000161089053 426008243 /nfs/dbraw/zinc/00/82/43/426008243.db2.gz PGRNQHMLCSWYTH-UHFFFAOYSA-N 1 2 324.787 2.673 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1cnn(C)c1 ZINC000161089053 426008246 /nfs/dbraw/zinc/00/82/46/426008246.db2.gz PGRNQHMLCSWYTH-UHFFFAOYSA-N 1 2 324.787 2.673 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1nc(-c2ccsc2)no1 ZINC000161101999 426009169 /nfs/dbraw/zinc/00/91/69/426009169.db2.gz YXJNCFBVZUSBAJ-UHFFFAOYSA-N 1 2 303.391 2.554 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)Cc1nc(-c2ccsc2)no1 ZINC000161101999 426009172 /nfs/dbraw/zinc/00/91/72/426009172.db2.gz YXJNCFBVZUSBAJ-UHFFFAOYSA-N 1 2 303.391 2.554 20 70 DFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000161165694 426011523 /nfs/dbraw/zinc/01/15/23/426011523.db2.gz DUUIJWLGCYCBEV-UHFFFAOYSA-N 1 2 319.213 2.842 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCOC)cc1 ZINC000161276833 426015789 /nfs/dbraw/zinc/01/57/89/426015789.db2.gz IOOSHXKGWNZGQJ-KRWDZBQOSA-N 1 2 321.417 2.629 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCCOC)cc1 ZINC000161276833 426015791 /nfs/dbraw/zinc/01/57/91/426015791.db2.gz IOOSHXKGWNZGQJ-KRWDZBQOSA-N 1 2 321.417 2.629 20 70 DFIDLO CC[C@@H](C)c1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)on1 ZINC000161283156 426017284 /nfs/dbraw/zinc/01/72/84/426017284.db2.gz BMCZBPMIMKBALA-SECBINFHSA-N 1 2 320.418 2.885 20 70 DFIDLO CC[C@@H](C)c1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)on1 ZINC000161283156 426017286 /nfs/dbraw/zinc/01/72/86/426017286.db2.gz BMCZBPMIMKBALA-SECBINFHSA-N 1 2 320.418 2.885 20 70 DFIDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000216934296 426561796 /nfs/dbraw/zinc/56/17/96/426561796.db2.gz YFNRTWVFTDYBCD-GXTWGEPZSA-N 1 2 307.344 2.623 20 70 DFIDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000216934296 426561798 /nfs/dbraw/zinc/56/17/98/426561798.db2.gz YFNRTWVFTDYBCD-GXTWGEPZSA-N 1 2 307.344 2.623 20 70 DFIDLO Cn1ncc2c1nc[nH+]c2SCC(=O)CCC1CCCC1 ZINC000160212758 271079956 /nfs/dbraw/zinc/07/99/56/271079956.db2.gz KRKBMQROYCOGEH-UHFFFAOYSA-N 1 2 304.419 2.995 20 70 DFIDLO Clc1cnc(N2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000159799001 279296964 /nfs/dbraw/zinc/29/69/64/279296964.db2.gz FYOHFELISRNVEO-UHFFFAOYSA-N 1 2 313.586 2.714 20 70 DFIDLO CC[N@H+](CCCNC(=O)N(C[C@@H](C)O)C(C)C)c1ccccc1 ZINC000159372954 295375620 /nfs/dbraw/zinc/37/56/20/295375620.db2.gz WBERJDSGQXMQSC-MRXNPFEDSA-N 1 2 321.465 2.704 20 70 DFIDLO CC[N@@H+](CCCNC(=O)N(C[C@@H](C)O)C(C)C)c1ccccc1 ZINC000159372954 295375622 /nfs/dbraw/zinc/37/56/22/295375622.db2.gz WBERJDSGQXMQSC-MRXNPFEDSA-N 1 2 321.465 2.704 20 70 DFIDLO c1csc(CCn2cnnc2SCCn2cc[nH+]c2)c1 ZINC000159752209 295380977 /nfs/dbraw/zinc/38/09/77/295380977.db2.gz YSJIKWMPDXNNLS-UHFFFAOYSA-N 1 2 305.432 2.571 20 70 DFIDLO CC[N@H+](Cc1scnc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159912204 295383462 /nfs/dbraw/zinc/38/34/62/295383462.db2.gz FPMIYLUEHKBSFP-UHFFFAOYSA-N 1 2 314.414 2.710 20 70 DFIDLO CC[N@@H+](Cc1scnc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159912204 295383464 /nfs/dbraw/zinc/38/34/64/295383464.db2.gz FPMIYLUEHKBSFP-UHFFFAOYSA-N 1 2 314.414 2.710 20 70 DFIDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccnc1C ZINC000160236853 295388430 /nfs/dbraw/zinc/38/84/30/295388430.db2.gz CZCVUXVPESPHJS-UHFFFAOYSA-N 1 2 315.392 2.667 20 70 DFIDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccnc1C ZINC000160236853 295388432 /nfs/dbraw/zinc/38/84/32/295388432.db2.gz CZCVUXVPESPHJS-UHFFFAOYSA-N 1 2 315.392 2.667 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000161112590 295398838 /nfs/dbraw/zinc/39/88/38/295398838.db2.gz JMUMZRXNFJODIV-HNNXBMFYSA-N 1 2 314.433 2.886 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000161112590 295398839 /nfs/dbraw/zinc/39/88/39/295398839.db2.gz JMUMZRXNFJODIV-HNNXBMFYSA-N 1 2 314.433 2.886 20 70 DFIDLO Cn1nccc1CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000161179011 295399461 /nfs/dbraw/zinc/39/94/61/295399461.db2.gz ZWGYPTRDOUCEFJ-UHFFFAOYSA-N 1 2 322.397 2.841 20 70 DFIDLO Cc1nc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000161365189 295401941 /nfs/dbraw/zinc/40/19/41/295401941.db2.gz KAVQGTDYJXMBHQ-UHFFFAOYSA-N 1 2 302.334 2.845 20 70 DFIDLO CC[C@H](NC(=O)c1ccc(Br)c(O)c1)c1[nH]cc[nH+]1 ZINC000218080870 535872294 /nfs/dbraw/zinc/87/22/94/535872294.db2.gz ZOKKOXYWXVWIEJ-JTQLQIEISA-N 1 2 324.178 2.759 20 70 DFIDLO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000218100224 398346057 /nfs/dbraw/zinc/34/60/57/398346057.db2.gz SJDWUHWYDACZBU-AWEZNQCLSA-N 1 2 300.337 2.621 20 70 DFIDLO CCOC(=O)C[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000159520817 398964671 /nfs/dbraw/zinc/96/46/71/398964671.db2.gz CKXZLEUSGZDHFQ-UHFFFAOYSA-N 1 2 305.296 2.623 20 70 DFIDLO CCOC(=O)C[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000159520817 398964677 /nfs/dbraw/zinc/96/46/77/398964677.db2.gz CKXZLEUSGZDHFQ-UHFFFAOYSA-N 1 2 305.296 2.623 20 70 DFIDLO Clc1cnc(N2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000159753500 294119346 /nfs/dbraw/zinc/11/93/46/294119346.db2.gz FQIWNOINPQVATR-UHFFFAOYSA-N 1 2 316.630 2.782 20 70 DFIDLO Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000161475270 197497163 /nfs/dbraw/zinc/49/71/63/197497163.db2.gz WVVLICKCDZANFG-YPMHNXCESA-N 1 2 318.446 2.738 20 70 DFIDLO CCc1ncnc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1F ZINC000159910902 197372412 /nfs/dbraw/zinc/37/24/12/197372412.db2.gz DUTHYUOQWFTQIU-UHFFFAOYSA-N 1 2 303.385 2.598 20 70 DFIDLO C[C@H](CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159806398 197365679 /nfs/dbraw/zinc/36/56/79/197365679.db2.gz QLWADWUUINJXJH-YZLZLFLDSA-N 1 2 315.505 2.752 20 70 DFIDLO C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159806398 197365681 /nfs/dbraw/zinc/36/56/81/197365681.db2.gz QLWADWUUINJXJH-YZLZLFLDSA-N 1 2 315.505 2.752 20 70 DFIDLO C[C@@H](O)C[N@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000159539331 197360427 /nfs/dbraw/zinc/36/04/27/197360427.db2.gz ZQVQSNCJCRHRME-MNOVXSKESA-N 1 2 309.797 2.687 20 70 DFIDLO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000159539331 197360429 /nfs/dbraw/zinc/36/04/29/197360429.db2.gz ZQVQSNCJCRHRME-MNOVXSKESA-N 1 2 309.797 2.687 20 70 DFIDLO CCCCSCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159384382 197350050 /nfs/dbraw/zinc/35/00/50/197350050.db2.gz SWNXUHHDEPYKRB-UHFFFAOYSA-N 1 2 321.490 2.649 20 70 DFIDLO CCC(C)(CC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000159495454 542717507 /nfs/dbraw/zinc/71/75/07/542717507.db2.gz CLFXUSSKBFLZLB-UHFFFAOYSA-N 1 2 305.422 2.991 20 70 DFIDLO CC(C)COc1ccc([C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC000159600054 542718816 /nfs/dbraw/zinc/71/88/16/542718816.db2.gz OJPPZIHCIYQMGP-CQSZACIVSA-N 1 2 301.390 2.795 20 70 DFIDLO CC[N@H+](Cc1ccc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160532015 425986534 /nfs/dbraw/zinc/98/65/34/425986534.db2.gz LGFNAGRJWSFUKW-HNNXBMFYSA-N 1 2 319.426 2.956 20 70 DFIDLO CC[N@@H+](Cc1ccc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000160532015 425986538 /nfs/dbraw/zinc/98/65/38/425986538.db2.gz LGFNAGRJWSFUKW-HNNXBMFYSA-N 1 2 319.426 2.956 20 70 DFIDLO CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160979139 426004171 /nfs/dbraw/zinc/00/41/71/426004171.db2.gz NLSSTPSXBOXHHJ-QGZVFWFLSA-N 1 2 304.482 2.958 20 70 DFIDLO CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160979139 426004175 /nfs/dbraw/zinc/00/41/75/426004175.db2.gz NLSSTPSXBOXHHJ-QGZVFWFLSA-N 1 2 304.482 2.958 20 70 DFIDLO CC(C)Oc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159523762 425962286 /nfs/dbraw/zinc/96/22/86/425962286.db2.gz ZZTXHXNCQRSVQG-OAHLLOKOSA-N 1 2 313.401 2.549 20 70 DFIDLO CC[C@H](C)c1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)on1 ZINC000160045395 425972397 /nfs/dbraw/zinc/97/23/97/425972397.db2.gz ILWKDSQPWOIGHG-LBPRGKRZSA-N 1 2 316.405 2.693 20 70 DFIDLO C[C@@H]1CCO[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000160117377 425973690 /nfs/dbraw/zinc/97/36/90/425973690.db2.gz MEMWUMGEULKKSO-RHSMWYFYSA-N 1 2 317.433 2.503 20 70 DFIDLO C[C@@H](CCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160157844 425975613 /nfs/dbraw/zinc/97/56/13/425975613.db2.gz IPFQXJRBIXYLGN-YJBOKZPZSA-N 1 2 316.445 2.550 20 70 DFIDLO C[C@@H](CCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160157844 425975616 /nfs/dbraw/zinc/97/56/16/425975616.db2.gz IPFQXJRBIXYLGN-YJBOKZPZSA-N 1 2 316.445 2.550 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnnn2-c2ccccc2)n1 ZINC000160227248 425978114 /nfs/dbraw/zinc/97/81/14/425978114.db2.gz MHWMUPIFBAAIKR-KRWDZBQOSA-N 1 2 320.400 2.703 20 70 DFIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnnn2-c2ccccc2)n1 ZINC000160227248 425978116 /nfs/dbraw/zinc/97/81/16/425978116.db2.gz MHWMUPIFBAAIKR-KRWDZBQOSA-N 1 2 320.400 2.703 20 70 DFIDLO O=C(NCCCc1c[nH]c2ccccc12)[C@H]1CCn2cc[nH+]c2C1 ZINC000161490456 426026812 /nfs/dbraw/zinc/02/68/12/426026812.db2.gz RIGPTXFZIRHLBS-AWEZNQCLSA-N 1 2 322.412 2.676 20 70 DFIDLO CS[C@@H](C)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000161046767 426006636 /nfs/dbraw/zinc/00/66/36/426006636.db2.gz GXOHFIWZFMHGCM-AWEZNQCLSA-N 1 2 321.490 2.514 20 70 DFIDLO Cc1ccccc1C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161152207 426011367 /nfs/dbraw/zinc/01/13/67/426011367.db2.gz MPRWPMDXWFJIOY-HNNXBMFYSA-N 1 2 309.413 2.602 20 70 DFIDLO CCc1ncc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000161161596 426011414 /nfs/dbraw/zinc/01/14/14/426011414.db2.gz KPCZBGHKTUTQHN-GFCCVEGCSA-N 1 2 300.366 2.521 20 70 DFIDLO CC1(O)CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000161221180 426013644 /nfs/dbraw/zinc/01/36/44/426013644.db2.gz KGDDUXNBHFNFAU-UHFFFAOYSA-N 1 2 317.216 2.779 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OCCOC)c1 ZINC000161251602 426014727 /nfs/dbraw/zinc/01/47/27/426014727.db2.gz UBFFCGGIOBKPAA-QGZVFWFLSA-N 1 2 321.417 2.629 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OCCOC)c1 ZINC000161251602 426014729 /nfs/dbraw/zinc/01/47/29/426014729.db2.gz UBFFCGGIOBKPAA-QGZVFWFLSA-N 1 2 321.417 2.629 20 70 DFIDLO CCOC(=O)[C@@H]1CCCCN1Cc1c[nH+]c2ccc(C)cn12 ZINC000161285656 426017349 /nfs/dbraw/zinc/01/73/49/426017349.db2.gz CRDMAGIEHBBGES-HNNXBMFYSA-N 1 2 301.390 2.560 20 70 DFIDLO O=C(NC1CC1)[C@@H](Cc1ccccc1)Nc1cc[nH+]c(C2CC2)n1 ZINC000161322781 426018336 /nfs/dbraw/zinc/01/83/36/426018336.db2.gz XLFQKKYFMFJJDZ-MRXNPFEDSA-N 1 2 322.412 2.656 20 70 DFIDLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000161487097 281668786 /nfs/dbraw/zinc/66/87/86/281668786.db2.gz MBCIHSIJPMGIIG-VIFPVBQESA-N 1 2 324.306 2.876 20 70 DFIDLO O=[S@](Cc1[nH+]ccn1Cc1ccccc1)CC1CCOCC1 ZINC000159397529 295375994 /nfs/dbraw/zinc/37/59/94/295375994.db2.gz DKVFFTMBWGENLC-JOCHJYFZSA-N 1 2 318.442 2.607 20 70 DFIDLO N#Cc1ccc(F)cc1C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000159530954 295378171 /nfs/dbraw/zinc/37/81/71/295378171.db2.gz YIOZGSOUEXAKRQ-UHFFFAOYSA-N 1 2 317.408 2.955 20 70 DFIDLO N#Cc1ccc(F)cc1C[N@H+](CCC1CCCCC1)CC(N)=O ZINC000159530954 295378172 /nfs/dbraw/zinc/37/81/72/295378172.db2.gz YIOZGSOUEXAKRQ-UHFFFAOYSA-N 1 2 317.408 2.955 20 70 DFIDLO Cc1cc(N2CCN(C(=O)C3=CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000160147647 295387177 /nfs/dbraw/zinc/38/71/77/295387177.db2.gz DEPFEUDMFWUQLA-UHFFFAOYSA-N 1 2 314.433 2.667 20 70 DFIDLO CCCC1(CNC(=O)NCc2ccc[nH+]c2N(C)C)CCC1 ZINC000160254944 295388944 /nfs/dbraw/zinc/38/89/44/295388944.db2.gz FFHGHHQKZWBUEF-UHFFFAOYSA-N 1 2 304.438 2.917 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)CCOc2ccc(C)cc2)n1 ZINC000160591016 295393481 /nfs/dbraw/zinc/39/34/81/295393481.db2.gz SHCHBKPLIIFAOJ-UHFFFAOYSA-N 1 2 301.390 2.564 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCOc2ccc(C)cc2)n1 ZINC000160591016 295393482 /nfs/dbraw/zinc/39/34/82/295393482.db2.gz SHCHBKPLIIFAOJ-UHFFFAOYSA-N 1 2 301.390 2.564 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000161105694 295398507 /nfs/dbraw/zinc/39/85/07/295398507.db2.gz OXRCKSPFWWVCRN-OAHLLOKOSA-N 1 2 314.433 2.886 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000161105694 295398508 /nfs/dbraw/zinc/39/85/08/295398508.db2.gz OXRCKSPFWWVCRN-OAHLLOKOSA-N 1 2 314.433 2.886 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000161112719 295398880 /nfs/dbraw/zinc/39/88/80/295398880.db2.gz JMUMZRXNFJODIV-OAHLLOKOSA-N 1 2 314.433 2.886 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000161112719 295398882 /nfs/dbraw/zinc/39/88/82/295398882.db2.gz JMUMZRXNFJODIV-OAHLLOKOSA-N 1 2 314.433 2.886 20 70 DFIDLO CCc1nnc(C[NH2+][C@H](C)c2ccccc2Br)[nH]1 ZINC000160269736 197396494 /nfs/dbraw/zinc/39/64/94/197396494.db2.gz ICGOEAAGPFWHTO-SECBINFHSA-N 1 2 309.211 2.980 20 70 DFIDLO OC[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1cc(F)c(F)c(F)c1 ZINC000160130409 197387839 /nfs/dbraw/zinc/38/78/39/197387839.db2.gz XWAWXGOZNZBEAA-GFCCVEGCSA-N 1 2 309.291 2.917 20 70 DFIDLO CC(C)(C)c1nsc(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000160091276 197385717 /nfs/dbraw/zinc/38/57/17/197385717.db2.gz VUUDJPLUKTWWOH-LLVKDONJSA-N 1 2 303.435 2.921 20 70 DFIDLO CC(C)c1nsc(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)n1 ZINC000160086132 197384872 /nfs/dbraw/zinc/38/48/72/197384872.db2.gz BZCUKUNFWCYYFS-ZDUSSCGKSA-N 1 2 317.462 2.940 20 70 DFIDLO Cc1ccc(C(=O)CC[NH+]2CCN(CCOC(C)C)CC2)cc1 ZINC000159937682 197374948 /nfs/dbraw/zinc/37/49/48/197374948.db2.gz ZGGKRPZPEMWBDC-UHFFFAOYSA-N 1 2 318.461 2.610 20 70 DFIDLO CC1(C)CC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159839110 197368381 /nfs/dbraw/zinc/36/83/81/197368381.db2.gz SFOZIUVXMCSBDK-GFCCVEGCSA-N 1 2 311.223 2.707 20 70 DFIDLO CC1(C)CC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159839110 197368382 /nfs/dbraw/zinc/36/83/82/197368382.db2.gz SFOZIUVXMCSBDK-GFCCVEGCSA-N 1 2 311.223 2.707 20 70 DFIDLO Cc1ccc(NC(=O)[C@H](C)SCC[NH+]2CCOCC2)c(C)c1 ZINC000159788743 197364617 /nfs/dbraw/zinc/36/46/17/197364617.db2.gz NQBXYXUULQVUTN-HNNXBMFYSA-N 1 2 322.474 2.696 20 70 DFIDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159482367 145219915 /nfs/dbraw/zinc/21/99/15/145219915.db2.gz PQNDCXGHPGFWJS-KRWDZBQOSA-N 1 2 322.412 2.756 20 70 DFIDLO O=C(N[C@@H]1CCc2c1cccc2Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160422910 425981654 /nfs/dbraw/zinc/98/16/54/425981654.db2.gz VSOZQVVQWVKRMS-IAQYHMDHSA-N 1 2 315.804 2.903 20 70 DFIDLO Cc1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c(C#N)c(C)n1 ZINC000160619371 425989775 /nfs/dbraw/zinc/98/97/75/425989775.db2.gz QTLHQUKBIBNUJK-HNNXBMFYSA-N 1 2 307.401 2.904 20 70 DFIDLO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1F ZINC000160725773 425993421 /nfs/dbraw/zinc/99/34/21/425993421.db2.gz ROTVFVUNEPWLFC-UHFFFAOYSA-N 1 2 321.421 2.751 20 70 DFIDLO C[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1F ZINC000160725773 425993423 /nfs/dbraw/zinc/99/34/23/425993423.db2.gz ROTVFVUNEPWLFC-UHFFFAOYSA-N 1 2 321.421 2.751 20 70 DFIDLO CCc1ccccc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000160762670 425995707 /nfs/dbraw/zinc/99/57/07/425995707.db2.gz YRQKBWNETOLUAG-UHFFFAOYSA-N 1 2 309.413 2.602 20 70 DFIDLO Cn1c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)nnc1-c1ccccc1 ZINC000160848664 425998394 /nfs/dbraw/zinc/99/83/94/425998394.db2.gz VOWCLDPYUOTGRJ-HOTGVXAUSA-N 1 2 312.417 2.626 20 70 DFIDLO Cn1c(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)nnc1-c1ccccc1 ZINC000160848664 425998396 /nfs/dbraw/zinc/99/83/96/425998396.db2.gz VOWCLDPYUOTGRJ-HOTGVXAUSA-N 1 2 312.417 2.626 20 70 DFIDLO C#CC[N@@H+](CCCS(=O)(=O)C(C)C)[C@@H]1CCc2ccccc21 ZINC000160862554 425998792 /nfs/dbraw/zinc/99/87/92/425998792.db2.gz GDMAARJUGQJGGB-GOSISDBHSA-N 1 2 319.470 2.822 20 70 DFIDLO C#CC[N@H+](CCCS(=O)(=O)C(C)C)[C@@H]1CCc2ccccc21 ZINC000160862554 425998796 /nfs/dbraw/zinc/99/87/96/425998796.db2.gz GDMAARJUGQJGGB-GOSISDBHSA-N 1 2 319.470 2.822 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000161054312 426006156 /nfs/dbraw/zinc/00/61/56/426006156.db2.gz FTADGHSSIYQLDJ-CQSZACIVSA-N 1 2 315.421 2.708 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000161054312 426006159 /nfs/dbraw/zinc/00/61/59/426006159.db2.gz FTADGHSSIYQLDJ-CQSZACIVSA-N 1 2 315.421 2.708 20 70 DFIDLO Cc1[nH+]c2ccccn2c1CN(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000160947175 426002618 /nfs/dbraw/zinc/00/26/18/426002618.db2.gz ALKIATRULIZLKW-ZDUSSCGKSA-N 1 2 303.406 2.805 20 70 DFIDLO Cc1cnc(C)c(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159722020 425966662 /nfs/dbraw/zinc/96/66/62/425966662.db2.gz HGOIAQRKLGLHCN-UHFFFAOYSA-N 1 2 307.401 2.975 20 70 DFIDLO C[C@@H](CCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160157612 425975330 /nfs/dbraw/zinc/97/53/30/425975330.db2.gz IPFQXJRBIXYLGN-MAUKXSAKSA-N 1 2 316.445 2.550 20 70 DFIDLO C[C@@H](CCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160157612 425975332 /nfs/dbraw/zinc/97/53/32/425975332.db2.gz IPFQXJRBIXYLGN-MAUKXSAKSA-N 1 2 316.445 2.550 20 70 DFIDLO Cc1cc(C)c(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000160117978 425975847 /nfs/dbraw/zinc/97/58/47/425975847.db2.gz SNPFOGVSLIJOIB-MRXNPFEDSA-N 1 2 311.429 2.730 20 70 DFIDLO O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cc[nH+]cc1O ZINC000161503284 426026962 /nfs/dbraw/zinc/02/69/62/426026962.db2.gz WAFGUPGBFRLATG-UHFFFAOYSA-N 1 2 312.247 2.867 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000161254848 426014830 /nfs/dbraw/zinc/01/48/30/426014830.db2.gz NGKGXRNHDNFNFY-CQSZACIVSA-N 1 2 306.362 2.821 20 70 DFIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000161254848 426014831 /nfs/dbraw/zinc/01/48/31/426014831.db2.gz NGKGXRNHDNFNFY-CQSZACIVSA-N 1 2 306.362 2.821 20 70 DFIDLO COc1ccc2cc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)ccc2n1 ZINC000161278987 426017376 /nfs/dbraw/zinc/01/73/76/426017376.db2.gz IBUWYNYLGJBZTC-ZDUSSCGKSA-N 1 2 322.368 2.641 20 70 DFIDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CC1(C)C ZINC000160527057 289734607 /nfs/dbraw/zinc/73/46/07/289734607.db2.gz NPJOEKOYQZMUOU-UONOGXRCSA-N 1 2 322.474 2.626 20 70 DFIDLO Cc1cccc(NC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c1C ZINC000159869911 295383014 /nfs/dbraw/zinc/38/30/14/295383014.db2.gz GBRLDBQJOXDNDX-OAHLLOKOSA-N 1 2 322.474 2.696 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@H+](C)CCOc2ccccc2C)n1 ZINC000160591864 295393602 /nfs/dbraw/zinc/39/36/02/295393602.db2.gz XJXSTGDPNHZWLA-UHFFFAOYSA-N 1 2 301.390 2.564 20 70 DFIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCOc2ccccc2C)n1 ZINC000160591864 295393604 /nfs/dbraw/zinc/39/36/04/295393604.db2.gz XJXSTGDPNHZWLA-UHFFFAOYSA-N 1 2 301.390 2.564 20 70 DFIDLO COCCN(CC(C)C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000160918141 295396477 /nfs/dbraw/zinc/39/64/77/295396477.db2.gz COYQHJNJHZRPDG-UHFFFAOYSA-N 1 2 300.406 2.956 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161114101 295398992 /nfs/dbraw/zinc/39/89/92/295398992.db2.gz QGMDMOUSLVPSCY-ZDUSSCGKSA-N 1 2 318.396 2.717 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161114101 295398995 /nfs/dbraw/zinc/39/89/95/295398995.db2.gz QGMDMOUSLVPSCY-ZDUSSCGKSA-N 1 2 318.396 2.717 20 70 DFIDLO CCOC(=O)[C@H]1CCCCN1Cc1c[nH+]c2c(C)cccn12 ZINC000161265757 295401037 /nfs/dbraw/zinc/40/10/37/295401037.db2.gz SMWYKWNCKJTIPF-OAHLLOKOSA-N 1 2 301.390 2.560 20 70 DFIDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1OC ZINC000160368243 521257082 /nfs/dbraw/zinc/25/70/82/521257082.db2.gz ZWAPGKQQCKTGNQ-NSHDSACASA-N 1 2 304.394 2.625 20 70 DFIDLO COCCC1(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CCCC1 ZINC000159631830 186131804 /nfs/dbraw/zinc/13/18/04/186131804.db2.gz AXLLYYCSWNQPPB-UHFFFAOYSA-N 1 2 323.462 2.666 20 70 DFIDLO COCCC1(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CCCC1 ZINC000159631830 186131805 /nfs/dbraw/zinc/13/18/05/186131805.db2.gz AXLLYYCSWNQPPB-UHFFFAOYSA-N 1 2 323.462 2.666 20 70 DFIDLO CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1nc2ccccc2[nH]1 ZINC000161266281 398975713 /nfs/dbraw/zinc/97/57/13/398975713.db2.gz AUQWIBSVDWEUMH-QWHCGFSZSA-N 1 2 323.400 2.589 20 70 DFIDLO Cc1nc(C)n(C[C@H]2CCCN(c3cc(C)[nH+]c(C)c3C#N)C2)n1 ZINC000160692995 197431941 /nfs/dbraw/zinc/43/19/41/197431941.db2.gz ZBHSAFQZGQSHPT-INIZCTEOSA-N 1 2 324.432 2.695 20 70 DFIDLO Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000159974842 197377524 /nfs/dbraw/zinc/37/75/24/197377524.db2.gz ZXOCOWQCVFZXCB-ZDUSSCGKSA-N 1 2 314.364 2.930 20 70 DFIDLO C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159806639 197365070 /nfs/dbraw/zinc/36/50/70/197365070.db2.gz QLWADWUUINJXJH-AXVVYFOYSA-N 1 2 315.505 2.752 20 70 DFIDLO C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159806639 197365073 /nfs/dbraw/zinc/36/50/73/197365073.db2.gz QLWADWUUINJXJH-AXVVYFOYSA-N 1 2 315.505 2.752 20 70 DFIDLO CC(C)n1cc[nH+]c1CSc1nnc(-c2ccccn2)n1C ZINC000159525362 197360868 /nfs/dbraw/zinc/36/08/68/197360868.db2.gz FKXPZLXCGWJZJS-UHFFFAOYSA-N 1 2 314.418 2.947 20 70 DFIDLO CC(C)Cn1cc[nH+]c1CNC(=O)C[C@H](C)c1ccncc1 ZINC000159717821 542719598 /nfs/dbraw/zinc/71/95/98/542719598.db2.gz HQAJNVGTUIWASJ-AWEZNQCLSA-N 1 2 300.406 2.744 20 70 DFIDLO C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC000161283868 542728312 /nfs/dbraw/zinc/72/83/12/542728312.db2.gz VSIILEIHDZIHKJ-ZDUSSCGKSA-N 1 2 317.364 2.580 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2nccs2)n1 ZINC000159727027 145219687 /nfs/dbraw/zinc/21/96/87/145219687.db2.gz CCZRAVPLXODHGK-CQSZACIVSA-N 1 2 316.430 2.646 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2nccs2)n1 ZINC000159727027 145219690 /nfs/dbraw/zinc/21/96/90/145219690.db2.gz CCZRAVPLXODHGK-CQSZACIVSA-N 1 2 316.430 2.646 20 70 DFIDLO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC2(C)C)[NH+]2CCOCC2)s1 ZINC000160530211 425986621 /nfs/dbraw/zinc/98/66/21/425986621.db2.gz VYUASRAGEDYOEY-UONOGXRCSA-N 1 2 322.474 2.592 20 70 DFIDLO Cc1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)c(C#N)c(C)n1 ZINC000160619236 425989656 /nfs/dbraw/zinc/98/96/56/425989656.db2.gz QTLHQUKBIBNUJK-OAHLLOKOSA-N 1 2 307.401 2.904 20 70 DFIDLO C[C@@H]1CN(Cc2c[nH+]c3ccccn23)c2ccccc2NC1=O ZINC000160861730 425998917 /nfs/dbraw/zinc/99/89/17/425998917.db2.gz ULUIQNITSLKKBX-CYBMUJFWSA-N 1 2 306.369 2.929 20 70 DFIDLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 ZINC000159388821 425958852 /nfs/dbraw/zinc/95/88/52/425958852.db2.gz KNFOGORZLOHOID-IAQYHMDHSA-N 1 2 315.398 2.610 20 70 DFIDLO C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159392719 425959418 /nfs/dbraw/zinc/95/94/18/425959418.db2.gz QEEYXXAGQDRVLC-OLZOCXBDSA-N 1 2 301.365 2.804 20 70 DFIDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2F)CC[C@@H]1O ZINC000159418272 425960500 /nfs/dbraw/zinc/96/05/00/425960500.db2.gz IQFGCYPNADLHPG-ZANVPECISA-N 1 2 302.187 2.791 20 70 DFIDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2F)CC[C@@H]1O ZINC000159418272 425960503 /nfs/dbraw/zinc/96/05/03/425960503.db2.gz IQFGCYPNADLHPG-ZANVPECISA-N 1 2 302.187 2.791 20 70 DFIDLO OC[C@H]1CCCC[N@@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000159910786 425970123 /nfs/dbraw/zinc/97/01/23/425970123.db2.gz IMNWUEPJLLHQGE-GFCCVEGCSA-N 1 2 314.216 2.988 20 70 DFIDLO OC[C@H]1CCCC[N@H+]1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000159910786 425970125 /nfs/dbraw/zinc/97/01/25/425970125.db2.gz IMNWUEPJLLHQGE-GFCCVEGCSA-N 1 2 314.216 2.988 20 70 DFIDLO CC(C)Oc1ccccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160216417 425976905 /nfs/dbraw/zinc/97/69/05/425976905.db2.gz XIOZITNZPGIAEY-AWEZNQCLSA-N 1 2 313.401 2.549 20 70 DFIDLO CCC[N@@H+](Cc1cn[nH]c1C)C[C@H]1COc2ccccc2O1 ZINC000161428977 426022785 /nfs/dbraw/zinc/02/27/85/426022785.db2.gz RWXYXGSDOWKUQP-HNNXBMFYSA-N 1 2 301.390 2.770 20 70 DFIDLO CCC[N@H+](Cc1cn[nH]c1C)C[C@H]1COc2ccccc2O1 ZINC000161428977 426022789 /nfs/dbraw/zinc/02/27/89/426022789.db2.gz RWXYXGSDOWKUQP-HNNXBMFYSA-N 1 2 301.390 2.770 20 70 DFIDLO CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1cnn(C)c1 ZINC000161082441 426008023 /nfs/dbraw/zinc/00/80/23/426008023.db2.gz IMHRALOVXYZWFR-UHFFFAOYSA-N 1 2 320.824 2.843 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)Cc1cnn(C)c1 ZINC000161082441 426008026 /nfs/dbraw/zinc/00/80/26/426008026.db2.gz IMHRALOVXYZWFR-UHFFFAOYSA-N 1 2 320.824 2.843 20 70 DFIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000161167282 426011645 /nfs/dbraw/zinc/01/16/45/426011645.db2.gz LKTKZUWHXNGLDL-UHFFFAOYSA-N 1 2 319.213 2.842 20 70 DFIDLO CCCN(CC[NH+](CC)CC)Cc1nc(=O)c2sccc2[nH]1 ZINC000161241347 426014625 /nfs/dbraw/zinc/01/46/25/426014625.db2.gz ZLRDFAZEIDTYEO-UHFFFAOYSA-N 1 2 322.478 2.538 20 70 DFIDLO CC(=O)Nc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000161365052 426020907 /nfs/dbraw/zinc/02/09/07/426020907.db2.gz CDZKPCOFDKIZRR-UHFFFAOYSA-N 1 2 314.389 2.896 20 70 DFIDLO Cc1ccc(C(C)(C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161381991 426022291 /nfs/dbraw/zinc/02/22/91/426022291.db2.gz MQQDUCGUKTYECR-HNNXBMFYSA-N 1 2 311.429 2.848 20 70 DFIDLO CC1(C)CCC(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000160760915 280919319 /nfs/dbraw/zinc/91/93/19/280919319.db2.gz QCCKJZKUEGAXGR-INIZCTEOSA-N 1 2 308.466 2.526 20 70 DFIDLO Cc1cc(S(=O)(=O)Nc2cc[nH+]cc2)c(Cl)cc1F ZINC000159593139 295379154 /nfs/dbraw/zinc/37/91/54/295379154.db2.gz QVSRBJVAXUGFSV-UHFFFAOYSA-N 1 2 300.742 2.983 20 70 DFIDLO CC[C@]1(C)C[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159835971 295382474 /nfs/dbraw/zinc/38/24/74/295382474.db2.gz NWBLTMHARXDKEK-PKOBYXMFSA-N 1 2 316.445 2.646 20 70 DFIDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)o1 ZINC000159873468 295383185 /nfs/dbraw/zinc/38/31/85/295383185.db2.gz WBLYLRJDQOLXGA-VXGBXAGGSA-N 1 2 312.377 2.625 20 70 DFIDLO CC[N@@H+](Cc1cccnc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159911740 295383542 /nfs/dbraw/zinc/38/35/42/295383542.db2.gz KPLRTAUZVWEBIV-UHFFFAOYSA-N 1 2 308.385 2.649 20 70 DFIDLO CC[N@H+](Cc1cccnc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159911740 295383543 /nfs/dbraw/zinc/38/35/43/295383543.db2.gz KPLRTAUZVWEBIV-UHFFFAOYSA-N 1 2 308.385 2.649 20 70 DFIDLO CCCC1(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000160645151 295394127 /nfs/dbraw/zinc/39/41/27/295394127.db2.gz RECUXMAYJYKJDB-UHFFFAOYSA-N 1 2 316.445 2.829 20 70 DFIDLO COc1cccc(C[N@@H+](Cc2nccn2C)C[C@@H]2CCCO2)c1 ZINC000160855156 295395999 /nfs/dbraw/zinc/39/59/99/295395999.db2.gz QXRMQJZCJQHBPR-KRWDZBQOSA-N 1 2 315.417 2.610 20 70 DFIDLO COc1cccc(C[N@H+](Cc2nccn2C)C[C@@H]2CCCO2)c1 ZINC000160855156 295396000 /nfs/dbraw/zinc/39/60/00/295396000.db2.gz QXRMQJZCJQHBPR-KRWDZBQOSA-N 1 2 315.417 2.610 20 70 DFIDLO COc1cccc(CN(Cc2[nH+]ccn2C)C[C@@H]2CCCO2)c1 ZINC000160855156 295396001 /nfs/dbraw/zinc/39/60/01/295396001.db2.gz QXRMQJZCJQHBPR-KRWDZBQOSA-N 1 2 315.417 2.610 20 70 DFIDLO FC(F)(F)COCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159605637 303115410 /nfs/dbraw/zinc/11/54/10/303115410.db2.gz BJZPPJZLISGYRI-OAHLLOKOSA-N 1 2 315.335 2.739 20 70 DFIDLO FC(F)(F)COCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159605637 303115412 /nfs/dbraw/zinc/11/54/12/303115412.db2.gz BJZPPJZLISGYRI-OAHLLOKOSA-N 1 2 315.335 2.739 20 70 DFIDLO N#CCc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160419922 333342528 /nfs/dbraw/zinc/34/25/28/333342528.db2.gz BBLKOEZLSNBSNI-INIZCTEOSA-N 1 2 321.384 2.548 20 70 DFIDLO CCCO[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000160107943 197386159 /nfs/dbraw/zinc/38/61/59/197386159.db2.gz YAJMNGOXHKCXIV-HOTGVXAUSA-N 1 2 306.406 2.577 20 70 DFIDLO CCCO[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000160107943 197386161 /nfs/dbraw/zinc/38/61/61/197386161.db2.gz YAJMNGOXHKCXIV-HOTGVXAUSA-N 1 2 306.406 2.577 20 70 DFIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC2(CCC2)C1 ZINC000159857925 197368736 /nfs/dbraw/zinc/36/87/36/197368736.db2.gz ITLCZGYPRKUTHX-UHFFFAOYSA-N 1 2 314.433 2.767 20 70 DFIDLO c1oc(-c2ccccc2)nc1CSCC[NH+]1CCOCC1 ZINC000159804078 197365481 /nfs/dbraw/zinc/36/54/81/197365481.db2.gz IEGOMNCDKCZPBX-UHFFFAOYSA-N 1 2 304.415 2.907 20 70 DFIDLO C[C@@H](CCn1cccn1)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000159467521 197356417 /nfs/dbraw/zinc/35/64/17/197356417.db2.gz PMLSBDXLUNGHMQ-JKSUJKDBSA-N 1 2 314.433 2.999 20 70 DFIDLO CS(=O)(=O)CCCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000161277270 542727767 /nfs/dbraw/zinc/72/77/67/542727767.db2.gz DJINYQJHPKJJGA-UHFFFAOYSA-N 1 2 311.403 2.700 20 70 DFIDLO CCn1cc(C2CC[NH+](Cc3nnc(C)n3C3CC3)CC2)cn1 ZINC000160466165 425984200 /nfs/dbraw/zinc/98/42/00/425984200.db2.gz XXZMTCMWPDUJOU-UHFFFAOYSA-N 1 2 314.437 2.517 20 70 DFIDLO Cc1cc(NCCNC(=O)c2ccccc2F)c(C#N)c(C)[nH+]1 ZINC000160516348 425984926 /nfs/dbraw/zinc/98/49/26/425984926.db2.gz BMSHPZSABBTRRS-UHFFFAOYSA-N 1 2 312.348 2.551 20 70 DFIDLO Cc1cc(N[C@@H]2CCc3nc(C(C)C)nn3C2)c(C#N)c(C)[nH+]1 ZINC000160661926 425990634 /nfs/dbraw/zinc/99/06/34/425990634.db2.gz OKKIUFWYIZDRLA-CYBMUJFWSA-N 1 2 310.405 2.712 20 70 DFIDLO CC[C@H](c1ccncc1)N(CC)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000160830316 425997913 /nfs/dbraw/zinc/99/79/13/425997913.db2.gz NFJHCAABMCDAKA-GDBMZVCRSA-N 1 2 315.421 2.849 20 70 DFIDLO Cn1cc[nH+]c1CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000160897927 425999763 /nfs/dbraw/zinc/99/97/63/425999763.db2.gz XRXGTEVTMOGGCP-GFCCVEGCSA-N 1 2 320.462 2.748 20 70 DFIDLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@H+](C)C[C@@H](C)O ZINC000159522774 425962210 /nfs/dbraw/zinc/96/22/10/425962210.db2.gz QFIRTVJMEVNKOC-PELKAZGASA-N 1 2 306.189 2.520 20 70 DFIDLO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@@H+](C)C[C@@H](C)O ZINC000159522774 425962212 /nfs/dbraw/zinc/96/22/12/425962212.db2.gz QFIRTVJMEVNKOC-PELKAZGASA-N 1 2 306.189 2.520 20 70 DFIDLO C[C@H](SCC[NH+]1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000159828349 425969014 /nfs/dbraw/zinc/96/90/14/425969014.db2.gz NSNQSTQPPNTIDK-ZDUSSCGKSA-N 1 2 319.430 2.863 20 70 DFIDLO Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccs2)cc[nH+]1 ZINC000159924946 425970696 /nfs/dbraw/zinc/97/06/96/425970696.db2.gz ZZKXXEHCKBRTHL-SWLSCSKDSA-N 1 2 315.398 2.610 20 70 DFIDLO C[C@H]1CCO[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000160117488 425975195 /nfs/dbraw/zinc/97/51/95/425975195.db2.gz MEMWUMGEULKKSO-WMLDXEAASA-N 1 2 317.433 2.503 20 70 DFIDLO O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160138072 425975604 /nfs/dbraw/zinc/97/56/04/425975604.db2.gz YQFQBIKNDUVKIL-ZDUSSCGKSA-N 1 2 308.341 2.739 20 70 DFIDLO Cc1[nH]ncc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160208144 425976761 /nfs/dbraw/zinc/97/67/61/425976761.db2.gz RMNKKOBGIWJZIE-MRXNPFEDSA-N 1 2 301.390 2.605 20 70 DFIDLO Cc1[nH]ncc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160208144 425976765 /nfs/dbraw/zinc/97/67/65/425976765.db2.gz RMNKKOBGIWJZIE-MRXNPFEDSA-N 1 2 301.390 2.605 20 70 DFIDLO COC(=O)c1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000161435844 426024634 /nfs/dbraw/zinc/02/46/34/426024634.db2.gz ZQOKVNSIOKHFDM-AWEZNQCLSA-N 1 2 318.398 2.503 20 70 DFIDLO COC(=O)c1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000161435844 426024637 /nfs/dbraw/zinc/02/46/37/426024637.db2.gz ZQOKVNSIOKHFDM-AWEZNQCLSA-N 1 2 318.398 2.503 20 70 DFIDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cccc(F)c1F ZINC000159397391 295376155 /nfs/dbraw/zinc/37/61/55/295376155.db2.gz OIIKKQYFTAKKRC-PSLIRLAXSA-N 1 2 308.303 2.981 20 70 DFIDLO Cc1noc(C)c1CC[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000159408685 295376592 /nfs/dbraw/zinc/37/65/92/295376592.db2.gz BVUOBZQZFRLTER-QFIPXVFZSA-N 1 2 317.414 2.739 20 70 DFIDLO c1cn(CCSc2nnc3sc4ccccc4n23)c[nH+]1 ZINC000159498064 295377837 /nfs/dbraw/zinc/37/78/37/295377837.db2.gz UMTKUZGCUDHXKX-UHFFFAOYSA-N 1 2 301.400 2.933 20 70 DFIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000159575435 295378787 /nfs/dbraw/zinc/37/87/87/295378787.db2.gz QOZVKXSOMGTSDB-QMTHXVAHSA-N 1 2 319.792 2.609 20 70 DFIDLO COC(=O)c1oc([C@H](C)SCC[NH+]2CCOCC2)cc1C ZINC000159801821 295382048 /nfs/dbraw/zinc/38/20/48/295382048.db2.gz DEMAYVILTLKEJU-LBPRGKRZSA-N 1 2 313.419 2.501 20 70 DFIDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)o1 ZINC000159873333 295382850 /nfs/dbraw/zinc/38/28/50/295382850.db2.gz WBLYLRJDQOLXGA-RYUDHWBXSA-N 1 2 312.377 2.625 20 70 DFIDLO CCc1cccc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000160003640 295385364 /nfs/dbraw/zinc/38/53/64/295385364.db2.gz UVAWBVODBINMEM-UHFFFAOYSA-N 1 2 315.442 2.875 20 70 DFIDLO CCc1cccc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000160003640 295385368 /nfs/dbraw/zinc/38/53/68/295385368.db2.gz UVAWBVODBINMEM-UHFFFAOYSA-N 1 2 315.442 2.875 20 70 DFIDLO CCOCCC1(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)CC1 ZINC000160820933 295395371 /nfs/dbraw/zinc/39/53/71/295395371.db2.gz UJVVDXUTQKTHLU-UHFFFAOYSA-N 1 2 307.442 2.680 20 70 DFIDLO CCOCCC1(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000160820933 295395374 /nfs/dbraw/zinc/39/53/74/295395374.db2.gz UJVVDXUTQKTHLU-UHFFFAOYSA-N 1 2 307.442 2.680 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000161102550 295398705 /nfs/dbraw/zinc/39/87/05/295398705.db2.gz SNUGMODBICFOAV-HNNXBMFYSA-N 1 2 314.433 2.886 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000161102550 295398707 /nfs/dbraw/zinc/39/87/07/295398707.db2.gz SNUGMODBICFOAV-HNNXBMFYSA-N 1 2 314.433 2.886 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)Cc1nc(-c2cccs2)no1 ZINC000161091256 295398751 /nfs/dbraw/zinc/39/87/51/295398751.db2.gz BZDRRVOCNGVJKE-UHFFFAOYSA-N 1 2 303.391 2.554 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)Cc1nc(-c2cccs2)no1 ZINC000161091256 295398752 /nfs/dbraw/zinc/39/87/52/295398752.db2.gz BZDRRVOCNGVJKE-UHFFFAOYSA-N 1 2 303.391 2.554 20 70 DFIDLO Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000159948363 525174790 /nfs/dbraw/zinc/17/47/90/525174790.db2.gz ATPAIVAEECAVEC-CQSZACIVSA-N 1 2 314.364 2.930 20 70 DFIDLO CCc1nnc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)[nH]1 ZINC000159563284 536136892 /nfs/dbraw/zinc/13/68/92/536136892.db2.gz HPRGGDGPIACJJR-ZDUSSCGKSA-N 1 2 306.797 2.674 20 70 DFIDLO CCc1nnc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)[nH]1 ZINC000159563284 536136894 /nfs/dbraw/zinc/13/68/94/536136894.db2.gz HPRGGDGPIACJJR-ZDUSSCGKSA-N 1 2 306.797 2.674 20 70 DFIDLO C[S@@](=O)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000159576586 186128585 /nfs/dbraw/zinc/12/85/85/186128585.db2.gz QJBMGWXEUCAFGF-ASSNKEHSSA-N 1 2 324.427 2.866 20 70 DFIDLO CC(C)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000159585995 186129183 /nfs/dbraw/zinc/12/91/83/186129183.db2.gz AAUHUCGPJFEHTO-UHFFFAOYSA-N 1 2 310.401 2.562 20 70 DFIDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000159703809 186136098 /nfs/dbraw/zinc/13/60/98/186136098.db2.gz PLDQTJBEHOOMDQ-INIZCTEOSA-N 1 2 311.429 2.951 20 70 DFIDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000159703809 186136099 /nfs/dbraw/zinc/13/60/99/186136099.db2.gz PLDQTJBEHOOMDQ-INIZCTEOSA-N 1 2 311.429 2.951 20 70 DFIDLO CC(C)c1csc(CNC(=O)N(CC[NH+](C)C)C(C)C)n1 ZINC000159722454 186137270 /nfs/dbraw/zinc/13/72/70/186137270.db2.gz WEACSXRPASRDEN-UHFFFAOYSA-N 1 2 312.483 2.748 20 70 DFIDLO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC2(C)C)[NH+]2CCOCC2)cc1 ZINC000159757447 186139625 /nfs/dbraw/zinc/13/96/25/186139625.db2.gz DJMSAKIZXAOJME-DLBZAZTESA-N 1 2 316.445 2.531 20 70 DFIDLO Cc1ccc(F)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160025046 197380483 /nfs/dbraw/zinc/38/04/83/197380483.db2.gz HPLZFQMMJZJYKV-CYBMUJFWSA-N 1 2 314.364 2.930 20 70 DFIDLO C[C@@H](CCn1cccn1)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000159467645 197355762 /nfs/dbraw/zinc/35/57/62/197355762.db2.gz PMLSBDXLUNGHMQ-HOTGVXAUSA-N 1 2 314.433 2.999 20 70 DFIDLO CC[N@H+](CCc1nccs1)Cc1csc(NC(C)=O)n1 ZINC000159439727 197353687 /nfs/dbraw/zinc/35/36/87/197353687.db2.gz PIRHFFSDQGSIND-UHFFFAOYSA-N 1 2 310.448 2.623 20 70 DFIDLO CC[N@@H+](CCc1nccs1)Cc1csc(NC(C)=O)n1 ZINC000159439727 197353689 /nfs/dbraw/zinc/35/36/89/197353689.db2.gz PIRHFFSDQGSIND-UHFFFAOYSA-N 1 2 310.448 2.623 20 70 DFIDLO Cc1ccc(-c2[nH]nc(NC(=O)CCCn3cc[nH+]c3)c2C)o1 ZINC000161484737 542729560 /nfs/dbraw/zinc/72/95/60/542729560.db2.gz YMZNLAYESROWFR-UHFFFAOYSA-N 1 2 313.361 2.902 20 70 DFIDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000160465908 425982755 /nfs/dbraw/zinc/98/27/55/425982755.db2.gz IKTNOCJIUHGRPS-KFWWJZLASA-N 1 2 318.421 2.604 20 70 DFIDLO Cc1csc([C@@H]2CN(c3cc(C)[nH+]c(C)c3C#N)CCO2)n1 ZINC000160616219 425989649 /nfs/dbraw/zinc/98/96/49/425989649.db2.gz VTRSHLYPGOYTOQ-HNNXBMFYSA-N 1 2 314.414 2.913 20 70 DFIDLO COc1cc(CCC(=O)NCCCn2cc[nH+]c2)ccc1Cl ZINC000160939787 426002820 /nfs/dbraw/zinc/00/28/20/426002820.db2.gz LBOLFFSPAVGJQC-UHFFFAOYSA-N 1 2 321.808 2.684 20 70 DFIDLO CCc1ccc(CC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000159949823 425971426 /nfs/dbraw/zinc/97/14/26/425971426.db2.gz HECSADJGVFUHEN-UHFFFAOYSA-N 1 2 320.396 2.689 20 70 DFIDLO CCn1cnnc1C[NH2+]Cc1ccc(C)cc1Br ZINC000160008297 425972741 /nfs/dbraw/zinc/97/27/41/425972741.db2.gz CEIOILQTRQFQSS-UHFFFAOYSA-N 1 2 309.211 2.659 20 70 DFIDLO C[C@H]1CCO[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000160117279 425974541 /nfs/dbraw/zinc/97/45/41/425974541.db2.gz MEMWUMGEULKKSO-YOEHRIQHSA-N 1 2 317.433 2.503 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnnn2-c2ccccc2)n1 ZINC000160227379 425977571 /nfs/dbraw/zinc/97/75/71/425977571.db2.gz MHWMUPIFBAAIKR-QGZVFWFLSA-N 1 2 320.400 2.703 20 70 DFIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnnn2-c2ccccc2)n1 ZINC000160227379 425977573 /nfs/dbraw/zinc/97/75/73/425977573.db2.gz MHWMUPIFBAAIKR-QGZVFWFLSA-N 1 2 320.400 2.703 20 70 DFIDLO CCc1nnc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)[nH]1 ZINC000160226065 425978203 /nfs/dbraw/zinc/97/82/03/425978203.db2.gz FXFFMGHKIPNNSO-UHFFFAOYSA-N 1 2 318.396 2.687 20 70 DFIDLO Cc1cc(NCCCC(=O)OC(C)C)nc(-c2cccnc2)[nH+]1 ZINC000160266404 425978257 /nfs/dbraw/zinc/97/82/57/425978257.db2.gz FGGPFZZGVKHLOM-UHFFFAOYSA-N 1 2 314.389 2.991 20 70 DFIDLO Cc1ccc(-c2nc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)n[nH]2)o1 ZINC000160312061 425979712 /nfs/dbraw/zinc/97/97/12/425979712.db2.gz ICDABPUZNBDYTF-GFCCVEGCSA-N 1 2 317.393 2.576 20 70 DFIDLO Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)[NH+]3CCCCCC3)n2)o1 ZINC000160312061 425979716 /nfs/dbraw/zinc/97/97/16/425979716.db2.gz ICDABPUZNBDYTF-GFCCVEGCSA-N 1 2 317.393 2.576 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000161054172 426006451 /nfs/dbraw/zinc/00/64/51/426006451.db2.gz FTADGHSSIYQLDJ-AWEZNQCLSA-N 1 2 315.421 2.708 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000161054172 426006452 /nfs/dbraw/zinc/00/64/52/426006452.db2.gz FTADGHSSIYQLDJ-AWEZNQCLSA-N 1 2 315.421 2.708 20 70 DFIDLO CCc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000161089107 426007841 /nfs/dbraw/zinc/00/78/41/426007841.db2.gz XRWBJFFHZUKYBN-FUTAKVPZSA-N 1 2 312.369 2.930 20 70 DFIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000161064229 426008122 /nfs/dbraw/zinc/00/81/22/426008122.db2.gz GPYAENCOYXXHNT-ZDUSSCGKSA-N 1 2 308.385 2.901 20 70 DFIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000161064229 426008125 /nfs/dbraw/zinc/00/81/25/426008125.db2.gz GPYAENCOYXXHNT-ZDUSSCGKSA-N 1 2 308.385 2.901 20 70 DFIDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)c[nH]1 ZINC000161344546 426019656 /nfs/dbraw/zinc/01/96/56/426019656.db2.gz GKZWQOPLAMZEOS-UHFFFAOYSA-N 1 2 319.792 2.753 20 70 DFIDLO CC(C)(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000161381472 426021982 /nfs/dbraw/zinc/02/19/82/426021982.db2.gz WFSUPOQEWDBLGD-ZDUSSCGKSA-N 1 2 315.392 2.679 20 70 DFIDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccnc2ccccc21)C1CC1 ZINC000218530074 426567159 /nfs/dbraw/zinc/56/71/59/426567159.db2.gz ABXKGZIQFCDEAB-INIZCTEOSA-N 1 2 306.369 2.849 20 70 DFIDLO CCn1cnnc1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000218232985 426567581 /nfs/dbraw/zinc/56/75/81/426567581.db2.gz UAELXPLCNQHKDR-UHFFFAOYSA-N 1 2 316.739 2.843 20 70 DFIDLO COc1ccc2[nH+]c(N3CCC(n4ccnn4)CC3)ccc2c1 ZINC000160203263 271079924 /nfs/dbraw/zinc/07/99/24/271079924.db2.gz CJJGUDNROMHYHE-UHFFFAOYSA-N 1 2 309.373 2.676 20 70 DFIDLO CCO[C@@H](C)c1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159846798 295382531 /nfs/dbraw/zinc/38/25/31/295382531.db2.gz UGFHHDRQGLNGSJ-LBPRGKRZSA-N 1 2 316.492 2.806 20 70 DFIDLO Cc1nc(CSCC[NH+]2CCOCC2)nc2ccccc12 ZINC000159868190 295382969 /nfs/dbraw/zinc/38/29/69/295382969.db2.gz YCMPUXCDLCMWFP-UHFFFAOYSA-N 1 2 303.431 2.504 20 70 DFIDLO CC[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1c(C)noc1C ZINC000160303828 295389383 /nfs/dbraw/zinc/38/93/83/295389383.db2.gz XOOKJTCBAXCWDR-CQSZACIVSA-N 1 2 312.373 2.749 20 70 DFIDLO CC[C@]1(C)C[C@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000160288916 295389388 /nfs/dbraw/zinc/38/93/88/295389388.db2.gz QPPRBDIGVNZMQS-JENIJYKNSA-N 1 2 316.445 2.612 20 70 DFIDLO C[C@H]1CCCN(c2cc(N(C)CCC3CCOCC3)[nH+]cn2)C1 ZINC000160536968 295392576 /nfs/dbraw/zinc/39/25/76/295392576.db2.gz GFLVOOMLFDLNIE-HNNXBMFYSA-N 1 2 318.465 2.966 20 70 DFIDLO C[C@H]1CCCN(c2cc(N(C)CCC3CCOCC3)nc[nH+]2)C1 ZINC000160536968 295392578 /nfs/dbraw/zinc/39/25/78/295392578.db2.gz GFLVOOMLFDLNIE-HNNXBMFYSA-N 1 2 318.465 2.966 20 70 DFIDLO C[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160731533 295394958 /nfs/dbraw/zinc/39/49/58/295394958.db2.gz HCVFAHOPJVEDEG-CVEARBPZSA-N 1 2 306.356 2.937 20 70 DFIDLO C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160731533 295394960 /nfs/dbraw/zinc/39/49/60/295394960.db2.gz HCVFAHOPJVEDEG-CVEARBPZSA-N 1 2 306.356 2.937 20 70 DFIDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1c(C)nn(C)c1C)c1nccs1 ZINC000161099856 295398686 /nfs/dbraw/zinc/39/86/86/295398686.db2.gz LDCYHAYAJWUHFF-PWSUYJOCSA-N 1 2 321.450 2.561 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161114207 295399084 /nfs/dbraw/zinc/39/90/84/295399084.db2.gz QGMDMOUSLVPSCY-CYBMUJFWSA-N 1 2 318.396 2.717 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161114207 295399085 /nfs/dbraw/zinc/39/90/85/295399085.db2.gz QGMDMOUSLVPSCY-CYBMUJFWSA-N 1 2 318.396 2.717 20 70 DFIDLO Oc1ccc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cc1 ZINC000161005035 333779984 /nfs/dbraw/zinc/77/99/84/333779984.db2.gz DBOKLMJUGDOZFM-UHFFFAOYSA-N 1 2 310.372 2.705 20 70 DFIDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159719242 186137397 /nfs/dbraw/zinc/13/73/97/186137397.db2.gz OXNQJWNLBVLIKL-ZOBUZTSGSA-N 1 2 304.434 2.723 20 70 DFIDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159719242 186137398 /nfs/dbraw/zinc/13/73/98/186137398.db2.gz OXNQJWNLBVLIKL-ZOBUZTSGSA-N 1 2 304.434 2.723 20 70 DFIDLO CCOCC[NH+]1CCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000159724504 186137557 /nfs/dbraw/zinc/13/75/57/186137557.db2.gz GIHSQQDHPJEJEG-UXBLZVDNSA-N 1 2 316.445 2.661 20 70 DFIDLO N#Cc1ccc(Nc2cccc(C(=O)NCc3[nH]cc[nH+]3)c2)cc1 ZINC000159863358 398967529 /nfs/dbraw/zinc/96/75/29/398967529.db2.gz JLKIRKOVHZQPBS-UHFFFAOYSA-N 1 2 317.352 2.955 20 70 DFIDLO C[C@@H](c1ccccn1)[NH+]1CCN(c2noc(C(C)(C)C)n2)CC1 ZINC000160070998 197383745 /nfs/dbraw/zinc/38/37/45/197383745.db2.gz HPVQPIXVEJXCAL-ZDUSSCGKSA-N 1 2 315.421 2.645 20 70 DFIDLO Cc1cc(F)ccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160123397 197386818 /nfs/dbraw/zinc/38/68/18/197386818.db2.gz DPWHLAZISLCIKZ-CQSZACIVSA-N 1 2 314.364 2.930 20 70 DFIDLO CC[C@@H](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160429944 197410406 /nfs/dbraw/zinc/41/04/06/197410406.db2.gz GDFNKSYTRBJJIK-HZPDHXFCSA-N 1 2 318.465 2.734 20 70 DFIDLO CN(Cc1[nH+]ccn1C)c1ncc(Cl)cc1Br ZINC000159799153 197365460 /nfs/dbraw/zinc/36/54/60/197365460.db2.gz HCEMUKXBWXCTPE-UHFFFAOYSA-N 1 2 315.602 2.867 20 70 DFIDLO C[C@@H](CCn1cccn1)[NH2+]c1ccc(N2CCOCC2)c(F)c1 ZINC000159449953 197354242 /nfs/dbraw/zinc/35/42/42/197354242.db2.gz HOZFRRUXICHODR-AWEZNQCLSA-N 1 2 318.396 2.750 20 70 DFIDLO CCNC(=O)C(C)(C)CNc1ccc2cc(OC)ccc2[nH+]1 ZINC000161341969 542728909 /nfs/dbraw/zinc/72/89/09/542728909.db2.gz GQDCTVIWPLOUIW-UHFFFAOYSA-N 1 2 301.390 2.818 20 70 DFIDLO C[C@@H](CC(=O)c1cccs1)NC(=O)CCCn1cc[nH+]c1 ZINC000160851555 542725036 /nfs/dbraw/zinc/72/50/36/542725036.db2.gz CCXQQXQOKNIZAQ-LBPRGKRZSA-N 1 2 305.403 2.503 20 70 DFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N(Cc1cccc(F)c1)C1CC1 ZINC000159403030 145219807 /nfs/dbraw/zinc/21/98/07/145219807.db2.gz KGYLKOWYUXHJLM-AWEZNQCLSA-N 1 2 313.376 2.776 20 70 DFIDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CC1(C)C ZINC000160526916 425985532 /nfs/dbraw/zinc/98/55/32/425985532.db2.gz NPJOEKOYQZMUOU-KBPBESRZSA-N 1 2 322.474 2.626 20 70 DFIDLO CCC[C@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000160588499 425989171 /nfs/dbraw/zinc/98/91/71/425989171.db2.gz IMGLZCJUVHCRKI-HOTGVXAUSA-N 1 2 318.465 2.702 20 70 DFIDLO CCC[C@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000160588499 425989175 /nfs/dbraw/zinc/98/91/75/425989175.db2.gz IMGLZCJUVHCRKI-HOTGVXAUSA-N 1 2 318.465 2.702 20 70 DFIDLO Cc1c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cnn1CCC(C)C ZINC000160604619 425990034 /nfs/dbraw/zinc/99/00/34/425990034.db2.gz IZPZTMGUBXUHSH-AWEZNQCLSA-N 1 2 317.437 2.500 20 70 DFIDLO Cc1c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cnn1CCC(C)C ZINC000160604486 425990223 /nfs/dbraw/zinc/99/02/23/425990223.db2.gz IZPZTMGUBXUHSH-CQSZACIVSA-N 1 2 317.437 2.500 20 70 DFIDLO COC(=O)c1ccc(C[N@H+](C)Cc2nccn2C(C)C)cc1 ZINC000160769879 425995316 /nfs/dbraw/zinc/99/53/16/425995316.db2.gz HCIZRDBHVPHVAD-UHFFFAOYSA-N 1 2 301.390 2.883 20 70 DFIDLO COC(=O)c1ccc(C[N@@H+](C)Cc2nccn2C(C)C)cc1 ZINC000160769879 425995321 /nfs/dbraw/zinc/99/53/21/425995321.db2.gz HCIZRDBHVPHVAD-UHFFFAOYSA-N 1 2 301.390 2.883 20 70 DFIDLO COC(=O)c1ccc(CN(C)Cc2[nH+]ccn2C(C)C)cc1 ZINC000160769879 425995324 /nfs/dbraw/zinc/99/53/24/425995324.db2.gz HCIZRDBHVPHVAD-UHFFFAOYSA-N 1 2 301.390 2.883 20 70 DFIDLO Cc1nn(C)c(C)c1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000160997448 426004734 /nfs/dbraw/zinc/00/47/34/426004734.db2.gz JLVQGWIUHOFGFW-UHFFFAOYSA-N 1 2 313.409 2.544 20 70 DFIDLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159448426 425960015 /nfs/dbraw/zinc/96/00/15/425960015.db2.gz GBGZNHMVUQYHOV-NEPJUHHUSA-N 1 2 319.355 2.943 20 70 DFIDLO Cc1cccc([C@@H](C)C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000159552934 425963338 /nfs/dbraw/zinc/96/33/38/425963338.db2.gz UVXPCYNUZHQNQF-OAHLLOKOSA-N 1 2 311.429 2.990 20 70 DFIDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159758960 425967127 /nfs/dbraw/zinc/96/71/27/425967127.db2.gz OBQWYNVSANRACQ-LBPRGKRZSA-N 1 2 318.421 2.942 20 70 DFIDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159758960 425967130 /nfs/dbraw/zinc/96/71/30/425967130.db2.gz OBQWYNVSANRACQ-LBPRGKRZSA-N 1 2 318.421 2.942 20 70 DFIDLO Cc1ccccc1CNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000159891724 425970922 /nfs/dbraw/zinc/97/09/22/425970922.db2.gz BCTXWKGXFRFTCC-QGZVFWFLSA-N 1 2 324.428 2.858 20 70 DFIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1c1ccsc1 ZINC000159992296 425971413 /nfs/dbraw/zinc/97/14/13/425971413.db2.gz KNOAUMWXYHPZJT-TZMCWYRMSA-N 1 2 301.415 2.871 20 70 DFIDLO CCC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000161458217 426024093 /nfs/dbraw/zinc/02/40/93/426024093.db2.gz JAIJXNPOSSAQGT-CQSZACIVSA-N 1 2 306.431 2.655 20 70 DFIDLO CCC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000161458217 426024095 /nfs/dbraw/zinc/02/40/95/426024095.db2.gz JAIJXNPOSSAQGT-CQSZACIVSA-N 1 2 306.431 2.655 20 70 DFIDLO CCC[N@H+](Cc1cnc(C(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161076748 426007812 /nfs/dbraw/zinc/00/78/12/426007812.db2.gz QSCIIHXIVCRNLB-LBPRGKRZSA-N 1 2 316.492 2.666 20 70 DFIDLO CCC[N@@H+](Cc1cnc(C(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161076748 426007815 /nfs/dbraw/zinc/00/78/15/426007815.db2.gz QSCIIHXIVCRNLB-LBPRGKRZSA-N 1 2 316.492 2.666 20 70 DFIDLO O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161090094 426008282 /nfs/dbraw/zinc/00/82/82/426008282.db2.gz XMEQVQOTTKBPOJ-AWEZNQCLSA-N 1 2 317.820 2.848 20 70 DFIDLO CS[C@@H](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000161101305 426008711 /nfs/dbraw/zinc/00/87/11/426008711.db2.gz WBDLJIVDRALCOJ-NSHDSACASA-N 1 2 307.394 2.769 20 70 DFIDLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC2(CCC2)C1 ZINC000161224733 426013579 /nfs/dbraw/zinc/01/35/79/426013579.db2.gz MNOXNHOOKNUKRE-ZDUSSCGKSA-N 1 2 323.234 2.852 20 70 DFIDLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC2(CCC2)C1 ZINC000161224733 426013581 /nfs/dbraw/zinc/01/35/81/426013581.db2.gz MNOXNHOOKNUKRE-ZDUSSCGKSA-N 1 2 323.234 2.852 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000161254725 426015181 /nfs/dbraw/zinc/01/51/81/426015181.db2.gz NGKGXRNHDNFNFY-AWEZNQCLSA-N 1 2 306.362 2.821 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000161254725 426015183 /nfs/dbraw/zinc/01/51/83/426015183.db2.gz NGKGXRNHDNFNFY-AWEZNQCLSA-N 1 2 306.362 2.821 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000161261640 426016604 /nfs/dbraw/zinc/01/66/04/426016604.db2.gz OSUGTEPVTOKTJE-INIZCTEOSA-N 1 2 301.386 2.880 20 70 DFIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000161261640 426016606 /nfs/dbraw/zinc/01/66/06/426016606.db2.gz OSUGTEPVTOKTJE-INIZCTEOSA-N 1 2 301.386 2.880 20 70 DFIDLO CC[C@H](C)c1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)on1 ZINC000161283274 426017512 /nfs/dbraw/zinc/01/75/12/426017512.db2.gz BMCZBPMIMKBALA-VIFPVBQESA-N 1 2 320.418 2.885 20 70 DFIDLO CC[C@H](C)c1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)on1 ZINC000161283274 426017515 /nfs/dbraw/zinc/01/75/15/426017515.db2.gz BMCZBPMIMKBALA-VIFPVBQESA-N 1 2 320.418 2.885 20 70 DFIDLO O=C(NC1CC1)[C@H](Cc1ccccc1)Nc1cc[nH+]c(C2CC2)n1 ZINC000161322666 426018552 /nfs/dbraw/zinc/01/85/52/426018552.db2.gz XLFQKKYFMFJJDZ-INIZCTEOSA-N 1 2 322.412 2.656 20 70 DFIDLO CCC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161328483 426018995 /nfs/dbraw/zinc/01/89/95/426018995.db2.gz KTLZSANVJMBZIJ-IRXDYDNUSA-N 1 2 311.429 2.973 20 70 DFIDLO CC[N@H+](CCCNC(=O)N(C[C@H](C)O)C(C)C)c1ccccc1 ZINC000159373109 295375758 /nfs/dbraw/zinc/37/57/58/295375758.db2.gz WBERJDSGQXMQSC-INIZCTEOSA-N 1 2 321.465 2.704 20 70 DFIDLO CC[N@@H+](CCCNC(=O)N(C[C@H](C)O)C(C)C)c1ccccc1 ZINC000159373109 295375759 /nfs/dbraw/zinc/37/57/59/295375759.db2.gz WBERJDSGQXMQSC-INIZCTEOSA-N 1 2 321.465 2.704 20 70 DFIDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cccc(F)c1F ZINC000159397643 295376062 /nfs/dbraw/zinc/37/60/62/295376062.db2.gz OIIKKQYFTAKKRC-RFAUZJTJSA-N 1 2 308.303 2.981 20 70 DFIDLO O=C(NCCCCNc1cccc[nH+]1)c1cccc2[nH]cnc21 ZINC000159417615 295376528 /nfs/dbraw/zinc/37/65/28/295376528.db2.gz VQVRZDSEPDNCPG-UHFFFAOYSA-N 1 2 309.373 2.580 20 70 DFIDLO C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000160028603 295385585 /nfs/dbraw/zinc/38/55/85/295385585.db2.gz GWNSAUOWLZFBAP-GFCCVEGCSA-N 1 2 305.809 2.911 20 70 DFIDLO CCC(CC)(CCO)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160235173 295388164 /nfs/dbraw/zinc/38/81/64/295388164.db2.gz DPNKKUMGFCEKQX-UHFFFAOYSA-N 1 2 309.458 2.662 20 70 DFIDLO CCC(CC)(CCO)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160235173 295388165 /nfs/dbraw/zinc/38/81/65/295388165.db2.gz DPNKKUMGFCEKQX-UHFFFAOYSA-N 1 2 309.458 2.662 20 70 DFIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cncs1 ZINC000160243208 295388188 /nfs/dbraw/zinc/38/81/88/295388188.db2.gz IJSJNAGBIBFBGU-UHFFFAOYSA-N 1 2 311.357 2.882 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cncs1 ZINC000160243208 295388190 /nfs/dbraw/zinc/38/81/90/295388190.db2.gz IJSJNAGBIBFBGU-UHFFFAOYSA-N 1 2 311.357 2.882 20 70 DFIDLO CC[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1c(C)noc1C ZINC000160303672 295389359 /nfs/dbraw/zinc/38/93/59/295389359.db2.gz XOOKJTCBAXCWDR-AWEZNQCLSA-N 1 2 312.373 2.749 20 70 DFIDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc(F)cc2cccnc21 ZINC000160410587 295390743 /nfs/dbraw/zinc/39/07/43/295390743.db2.gz WSHMVODJYMMUAA-UHFFFAOYSA-N 1 2 324.359 2.765 20 70 DFIDLO CS[C@H](C)CC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000160523487 295392635 /nfs/dbraw/zinc/39/26/35/295392635.db2.gz LBKTVKFSBLQNAX-CYBMUJFWSA-N 1 2 308.447 2.599 20 70 DFIDLO Cn1cnnc1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000160757963 295395125 /nfs/dbraw/zinc/39/51/25/295395125.db2.gz HTHVHODDKORWJU-UHFFFAOYSA-N 1 2 310.323 2.999 20 70 DFIDLO Cn1cnnc1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000160757963 295395128 /nfs/dbraw/zinc/39/51/28/295395128.db2.gz HTHVHODDKORWJU-UHFFFAOYSA-N 1 2 310.323 2.999 20 70 DFIDLO CN(Cc1[nH+]ccn1C)Cc1cc(Br)ccc1F ZINC000160867346 295395944 /nfs/dbraw/zinc/39/59/44/295395944.db2.gz MLYIULWQDFCHLT-UHFFFAOYSA-N 1 2 312.186 2.954 20 70 DFIDLO CCN(C(=O)[C@@H](C)[N@H+](CC)Cc1cnn(C)c1)c1ccccc1 ZINC000161098892 295398611 /nfs/dbraw/zinc/39/86/11/295398611.db2.gz RKFNOYACGNESMU-OAHLLOKOSA-N 1 2 314.433 2.684 20 70 DFIDLO CCN(C(=O)[C@@H](C)[N@@H+](CC)Cc1cnn(C)c1)c1ccccc1 ZINC000161098892 295398612 /nfs/dbraw/zinc/39/86/12/295398612.db2.gz RKFNOYACGNESMU-OAHLLOKOSA-N 1 2 314.433 2.684 20 70 DFIDLO CC(C)c1noc([C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)n1 ZINC000161405778 295402383 /nfs/dbraw/zinc/40/23/83/295402383.db2.gz DPONPMVZRYBSHL-MWLCHTKSSA-N 1 2 321.343 2.889 20 70 DFIDLO CCC(CC)c1cc(C(=O)NCc2ccc[nH+]c2N(C)C)on1 ZINC000160481135 521631810 /nfs/dbraw/zinc/63/18/10/521631810.db2.gz GPUOLGCSLCAIOO-UHFFFAOYSA-N 1 2 316.405 2.969 20 70 DFIDLO CN(CCCCc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160102082 522740598 /nfs/dbraw/zinc/74/05/98/522740598.db2.gz IMJRJESISIEKDF-QGZVFWFLSA-N 1 2 311.429 2.927 20 70 DFIDLO C[N@H+](Cc1ncc(-c2ccccc2F)o1)[C@@H]1CCCCNC1=O ZINC000160295454 523574890 /nfs/dbraw/zinc/57/48/90/523574890.db2.gz CKEFNPYTWUJOHD-CQSZACIVSA-N 1 2 317.364 2.581 20 70 DFIDLO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)[C@@H]1CCCCNC1=O ZINC000160295454 523574899 /nfs/dbraw/zinc/57/48/99/523574899.db2.gz CKEFNPYTWUJOHD-CQSZACIVSA-N 1 2 317.364 2.581 20 70 DFIDLO CN(Cc1[nH+]ccn1C)c1ccc(C#N)cc1Br ZINC000160061224 197382982 /nfs/dbraw/zinc/38/29/82/197382982.db2.gz AYRMFGRMQVCHKQ-UHFFFAOYSA-N 1 2 305.179 2.691 20 70 DFIDLO CC(C)c1cc(C(=O)NCCn2cc[nH+]c2)nn1-c1ccccc1 ZINC000160022701 197380490 /nfs/dbraw/zinc/38/04/90/197380490.db2.gz VPTGCEODVCBGMW-UHFFFAOYSA-N 1 2 323.400 2.622 20 70 DFIDLO C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159806510 197365374 /nfs/dbraw/zinc/36/53/74/197365374.db2.gz QLWADWUUINJXJH-WOCWXWTJSA-N 1 2 315.505 2.752 20 70 DFIDLO C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000159806510 197365375 /nfs/dbraw/zinc/36/53/75/197365375.db2.gz QLWADWUUINJXJH-WOCWXWTJSA-N 1 2 315.505 2.752 20 70 DFIDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000159513211 197359745 /nfs/dbraw/zinc/35/97/45/197359745.db2.gz WFGAKJGGTKYSQQ-INIZCTEOSA-N 1 2 303.381 2.578 20 70 DFIDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000159513211 197359748 /nfs/dbraw/zinc/35/97/48/197359748.db2.gz WFGAKJGGTKYSQQ-INIZCTEOSA-N 1 2 303.381 2.578 20 70 DFIDLO O=C1CCN(Cc2c[nH+]c3ccccn23)c2ccc(F)cc2N1 ZINC000160909542 542725418 /nfs/dbraw/zinc/72/54/18/542725418.db2.gz JRRQATNGEPSRSC-UHFFFAOYSA-N 1 2 310.332 2.822 20 70 DFIDLO CCCOC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160469734 425983892 /nfs/dbraw/zinc/98/38/92/425983892.db2.gz DWBXKEYOONZZCQ-AWEZNQCLSA-N 1 2 320.433 2.552 20 70 DFIDLO CCCOC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160469734 425983894 /nfs/dbraw/zinc/98/38/94/425983894.db2.gz DWBXKEYOONZZCQ-AWEZNQCLSA-N 1 2 320.433 2.552 20 70 DFIDLO CSc1ccccc1NC(=O)CN(C)c1cc[nH+]c(C)n1 ZINC000160707892 425992982 /nfs/dbraw/zinc/99/29/82/425992982.db2.gz CKDSMUAQIAPQOU-UHFFFAOYSA-N 1 2 302.403 2.582 20 70 DFIDLO C[C@H]1CN(Cc2c[nH+]c3ccccn23)c2ccccc2NC1=O ZINC000160861808 425999054 /nfs/dbraw/zinc/99/90/54/425999054.db2.gz ULUIQNITSLKKBX-ZDUSSCGKSA-N 1 2 306.369 2.929 20 70 DFIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCc2ccc(Cl)cc21 ZINC000160994205 426004305 /nfs/dbraw/zinc/00/43/05/426004305.db2.gz BQKHDZCNEOHSJK-LBPRGKRZSA-N 1 2 301.777 2.688 20 70 DFIDLO Cc1[nH+]c2ccccn2c1CN1CCO[C@@H](c2nccs2)C1 ZINC000159442879 425960576 /nfs/dbraw/zinc/96/05/76/425960576.db2.gz LFZSRCJIHJINBQ-CQSZACIVSA-N 1 2 314.414 2.673 20 70 DFIDLO Cc1nccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1Cl ZINC000159652695 425965031 /nfs/dbraw/zinc/96/50/31/425965031.db2.gz NXAMKKXQXNFNIY-GFCCVEGCSA-N 1 2 319.796 2.936 20 70 DFIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc2[nH]cnc21 ZINC000159785295 425967292 /nfs/dbraw/zinc/96/72/92/425967292.db2.gz YFGWKRCBQRNUOW-UHFFFAOYSA-N 1 2 319.368 2.651 20 70 DFIDLO Cc1ccc(C#N)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000160314957 425979481 /nfs/dbraw/zinc/97/94/81/425979481.db2.gz OSPKLYMLRYTIIA-GOSISDBHSA-N 1 2 322.412 2.575 20 70 DFIDLO Cc1ccc(C#N)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000160314957 425979483 /nfs/dbraw/zinc/97/94/83/425979483.db2.gz OSPKLYMLRYTIIA-GOSISDBHSA-N 1 2 322.412 2.575 20 70 DFIDLO O=C(Nc1ccc(Cl)nc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161275183 426016205 /nfs/dbraw/zinc/01/62/05/426016205.db2.gz BZXQJHZUJJTVFX-LBPRGKRZSA-N 1 2 317.780 2.530 20 70 DFIDLO Cc1nc(Cl)ccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000160001344 293283550 /nfs/dbraw/zinc/28/35/50/293283550.db2.gz YPISFAORKUXFDL-UHFFFAOYSA-N 1 2 322.821 2.740 20 70 DFIDLO Cc1nc(Cl)ccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000160001344 293283553 /nfs/dbraw/zinc/28/35/53/293283553.db2.gz YPISFAORKUXFDL-UHFFFAOYSA-N 1 2 322.821 2.740 20 70 DFIDLO O=[S@@](Cc1cn2cc(Cl)ccc2[nH+]1)CC1CCOCC1 ZINC000159407385 295376371 /nfs/dbraw/zinc/37/63/71/295376371.db2.gz MLHPQAVKSGBIHN-FQEVSTJZSA-N 1 2 312.822 2.663 20 70 DFIDLO C[S@](=O)C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000159587526 295378729 /nfs/dbraw/zinc/37/87/29/295378729.db2.gz KDBARDWUNBHMQR-KSFYIVLOSA-N 1 2 313.426 2.544 20 70 DFIDLO COc1cc[nH+]cc1NC(=O)c1cc(NC(C)=O)ccc1Cl ZINC000159623315 295379411 /nfs/dbraw/zinc/37/94/11/295379411.db2.gz KJOQZNFQMVWWOS-UHFFFAOYSA-N 1 2 319.748 2.954 20 70 DFIDLO CCC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)OCC ZINC000159856263 295382406 /nfs/dbraw/zinc/38/24/06/295382406.db2.gz OIMXZFWCSHSAKX-BBRMVZONSA-N 1 2 316.405 2.650 20 70 DFIDLO CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000160356378 295390377 /nfs/dbraw/zinc/39/03/77/295390377.db2.gz VVUHSJPTKYPOMF-SUMWQHHRSA-N 1 2 321.440 2.758 20 70 DFIDLO CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000160356378 295390378 /nfs/dbraw/zinc/39/03/78/295390378.db2.gz VVUHSJPTKYPOMF-SUMWQHHRSA-N 1 2 321.440 2.758 20 70 DFIDLO O[C@H](C1CC[NH+](Cc2nc3ccccc3o2)CC1)C(F)(F)F ZINC000161289155 295401422 /nfs/dbraw/zinc/40/14/22/295401422.db2.gz PTFRJLQKAQCVRG-CQSZACIVSA-N 1 2 314.307 2.963 20 70 DFIDLO Cc1c(/C=C/C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cnn1C ZINC000160322800 525517311 /nfs/dbraw/zinc/51/73/11/525517311.db2.gz QFUDNXGEGSNVTR-BQYQJAHWSA-N 1 2 321.384 2.781 20 70 DFIDLO C[NH+](C)[C@@H](CNC(=O)NC1(C)CCC1)c1c(F)cccc1F ZINC000161293991 197483086 /nfs/dbraw/zinc/48/30/86/197483086.db2.gz BCBUFUULPLDHAI-ZDUSSCGKSA-N 1 2 311.376 2.809 20 70 DFIDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000160238997 197394585 /nfs/dbraw/zinc/39/45/85/197394585.db2.gz XMMDYXHTURIUEB-STQMWFEESA-N 1 2 302.271 2.585 20 70 DFIDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000160238997 197394586 /nfs/dbraw/zinc/39/45/86/197394586.db2.gz XMMDYXHTURIUEB-STQMWFEESA-N 1 2 302.271 2.585 20 70 DFIDLO COc1ccc(C(F)(F)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000160070206 197383656 /nfs/dbraw/zinc/38/36/56/197383656.db2.gz AXZXPYFFWKRYPW-UHFFFAOYSA-N 1 2 323.343 2.532 20 70 DFIDLO Cc1ccc(F)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160025176 197380549 /nfs/dbraw/zinc/38/05/49/197380549.db2.gz HPLZFQMMJZJYKV-ZDUSSCGKSA-N 1 2 314.364 2.930 20 70 DFIDLO O=C(Nc1cccc(F)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159780975 197364844 /nfs/dbraw/zinc/36/48/44/197364844.db2.gz RKVBYZYAHXXCAA-AWEZNQCLSA-N 1 2 300.337 2.621 20 70 DFIDLO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@H](CO)C1 ZINC000159459784 197355403 /nfs/dbraw/zinc/35/54/03/197355403.db2.gz VIEWQDPOMLKKLK-ZDUSSCGKSA-N 1 2 313.357 2.720 20 70 DFIDLO COc1ccc2[nH+]c(NCCCNC(=O)C(C)C)ccc2c1 ZINC000161438417 542729980 /nfs/dbraw/zinc/72/99/80/542729980.db2.gz KBAPQZALSXHYQG-UHFFFAOYSA-N 1 2 301.390 2.818 20 70 DFIDLO CS(=O)(=O)CCCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000161492174 542730531 /nfs/dbraw/zinc/73/05/31/542730531.db2.gz MAGXVAHCNYBPML-UHFFFAOYSA-N 1 2 317.401 2.754 20 70 DFIDLO CS(=O)(=O)CCCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000161492174 542730533 /nfs/dbraw/zinc/73/05/33/542730533.db2.gz MAGXVAHCNYBPML-UHFFFAOYSA-N 1 2 317.401 2.754 20 70 DFIDLO O[C@@H](C1CC[NH+](Cc2noc3c2CCCC3)CC1)C(F)(F)F ZINC000161509119 542730625 /nfs/dbraw/zinc/73/06/25/542730625.db2.gz DUEOKNVVYMLTEF-AWEZNQCLSA-N 1 2 318.339 2.689 20 70 DFIDLO C[C@H](CC(=O)c1cccs1)NC(=O)CCCn1cc[nH+]c1 ZINC000160851692 542725332 /nfs/dbraw/zinc/72/53/32/542725332.db2.gz CCXQQXQOKNIZAQ-GFCCVEGCSA-N 1 2 305.403 2.503 20 70 DFIDLO C[C@@H](NC(=O)c1c(F)cccc1Br)c1[nH]cc[nH+]1 ZINC000161005189 542726420 /nfs/dbraw/zinc/72/64/20/542726420.db2.gz OCDPVKDNPCKDRF-SSDOTTSWSA-N 1 2 312.142 2.802 20 70 DFIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccccc1Cl ZINC000160526010 425984973 /nfs/dbraw/zinc/98/49/73/425984973.db2.gz QZSJFLJEWSTRRY-UHFFFAOYSA-N 1 2 303.855 2.985 20 70 DFIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccccc1Cl ZINC000160526010 425984975 /nfs/dbraw/zinc/98/49/75/425984975.db2.gz QZSJFLJEWSTRRY-UHFFFAOYSA-N 1 2 303.855 2.985 20 70 DFIDLO C[C@H]1C[N@@H+]([C@@H](CNC(=O)[C@@H]2CC2(C)C)c2cccs2)CCO1 ZINC000160535597 425986054 /nfs/dbraw/zinc/98/60/54/425986054.db2.gz VOPCYDFFXZMDCN-IHRRRGAJSA-N 1 2 322.474 2.672 20 70 DFIDLO C[C@H]1C[N@H+]([C@@H](CNC(=O)[C@@H]2CC2(C)C)c2cccs2)CCO1 ZINC000160535597 425986058 /nfs/dbraw/zinc/98/60/58/425986058.db2.gz VOPCYDFFXZMDCN-IHRRRGAJSA-N 1 2 322.474 2.672 20 70 DFIDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC2(CCC2)C1 ZINC000160676672 425992366 /nfs/dbraw/zinc/99/23/66/425992366.db2.gz HUNCKIMPTYYRDS-UHFFFAOYSA-N 1 2 314.433 2.636 20 70 DFIDLO Cc1cc(F)ccc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000159376419 425958739 /nfs/dbraw/zinc/95/87/39/425958739.db2.gz HHUVWLAQUJSXSF-AWEZNQCLSA-N 1 2 315.392 2.963 20 70 DFIDLO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159448267 425960967 /nfs/dbraw/zinc/96/09/67/425960967.db2.gz GBGZNHMVUQYHOV-RYUDHWBXSA-N 1 2 319.355 2.943 20 70 DFIDLO CC(C)Oc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159523893 425962094 /nfs/dbraw/zinc/96/20/94/425962094.db2.gz ZZTXHXNCQRSVQG-HNNXBMFYSA-N 1 2 313.401 2.549 20 70 DFIDLO CCCCSCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159551044 425963075 /nfs/dbraw/zinc/96/30/75/425963075.db2.gz PKMKBXRFCYGHGT-UHFFFAOYSA-N 1 2 309.479 2.802 20 70 DFIDLO CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000159627686 425964126 /nfs/dbraw/zinc/96/41/26/425964126.db2.gz GTMCYLHVIXRTHP-AEFFLSMTSA-N 1 2 316.445 2.827 20 70 DFIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000160056271 425972956 /nfs/dbraw/zinc/97/29/56/425972956.db2.gz XOIRSNVKMSRFDH-CQSZACIVSA-N 1 2 307.438 2.814 20 70 DFIDLO C[C@H](CCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160158049 425975787 /nfs/dbraw/zinc/97/57/87/425975787.db2.gz IPFQXJRBIXYLGN-QAPCUYQASA-N 1 2 316.445 2.550 20 70 DFIDLO C[C@H](CCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160158049 425975789 /nfs/dbraw/zinc/97/57/89/425975789.db2.gz IPFQXJRBIXYLGN-QAPCUYQASA-N 1 2 316.445 2.550 20 70 DFIDLO c1nc(N2CCCCC2)cc(N[C@@H]2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000160316899 425979179 /nfs/dbraw/zinc/97/91/79/425979179.db2.gz HXBUOPWLYQKYLH-HUUCEWRRSA-N 1 2 302.422 2.836 20 70 DFIDLO c1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000160316899 425979183 /nfs/dbraw/zinc/97/91/83/425979183.db2.gz HXBUOPWLYQKYLH-HUUCEWRRSA-N 1 2 302.422 2.836 20 70 DFIDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc[nH]n1 ZINC000161488540 426026981 /nfs/dbraw/zinc/02/69/81/426026981.db2.gz JQNUVPJGLOZARQ-UHFFFAOYSA-N 1 2 304.369 2.788 20 70 DFIDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc[nH]n1 ZINC000161488540 426026984 /nfs/dbraw/zinc/02/69/84/426026984.db2.gz JQNUVPJGLOZARQ-UHFFFAOYSA-N 1 2 304.369 2.788 20 70 DFIDLO O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161089975 426007421 /nfs/dbraw/zinc/00/74/21/426007421.db2.gz XMEQVQOTTKBPOJ-CQSZACIVSA-N 1 2 317.820 2.848 20 70 DFIDLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161080808 426007784 /nfs/dbraw/zinc/00/77/84/426007784.db2.gz QTKVDQBOUJANQK-UHFFFAOYSA-N 1 2 306.797 2.534 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000161080808 426007787 /nfs/dbraw/zinc/00/77/87/426007787.db2.gz QTKVDQBOUJANQK-UHFFFAOYSA-N 1 2 306.797 2.534 20 70 DFIDLO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1cnn(C)c1 ZINC000161078088 426008233 /nfs/dbraw/zinc/00/82/33/426008233.db2.gz FQGAZGXYBQYJRI-UHFFFAOYSA-N 1 2 320.824 2.843 20 70 DFIDLO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)Cc1cnn(C)c1 ZINC000161078088 426008237 /nfs/dbraw/zinc/00/82/37/426008237.db2.gz FQGAZGXYBQYJRI-UHFFFAOYSA-N 1 2 320.824 2.843 20 70 DFIDLO Cc1noc([C@H]2COCC[N@@H+]2C[C@@H]2CCc3ccccc3C2)n1 ZINC000161129852 426009611 /nfs/dbraw/zinc/00/96/11/426009611.db2.gz COBGSZPCJHZYIY-RHSMWYFYSA-N 1 2 313.401 2.556 20 70 DFIDLO Cc1noc([C@H]2COCC[N@H+]2C[C@@H]2CCc3ccccc3C2)n1 ZINC000161129852 426009613 /nfs/dbraw/zinc/00/96/13/426009613.db2.gz COBGSZPCJHZYIY-RHSMWYFYSA-N 1 2 313.401 2.556 20 70 DFIDLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1nsc(N(C)C)n1 ZINC000161166753 426011375 /nfs/dbraw/zinc/01/13/75/426011375.db2.gz UVWWQRMYXHFQLS-GXTWGEPZSA-N 1 2 302.447 2.982 20 70 DFIDLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nsc(N(C)C)n1 ZINC000161166753 426011378 /nfs/dbraw/zinc/01/13/78/426011378.db2.gz UVWWQRMYXHFQLS-GXTWGEPZSA-N 1 2 302.447 2.982 20 70 DFIDLO CCc1nc(CS(=O)(=O)Cc2[nH+]ccn2C(C)C)cs1 ZINC000161221391 426013797 /nfs/dbraw/zinc/01/37/97/426013797.db2.gz RETXSOUMTXFPDS-UHFFFAOYSA-N 1 2 313.448 2.598 20 70 DFIDLO CCOC(=O)[C@@H]1CCCCN1Cc1c[nH+]c2c(C)cccn12 ZINC000161265628 426016245 /nfs/dbraw/zinc/01/62/45/426016245.db2.gz SMWYKWNCKJTIPF-HNNXBMFYSA-N 1 2 301.390 2.560 20 70 DFIDLO CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161328260 426019146 /nfs/dbraw/zinc/01/91/46/426019146.db2.gz KTLZSANVJMBZIJ-SJORKVTESA-N 1 2 311.429 2.973 20 70 DFIDLO CCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)OCC ZINC000159856409 295383055 /nfs/dbraw/zinc/38/30/55/295383055.db2.gz OIMXZFWCSHSAKX-XJKSGUPXSA-N 1 2 316.405 2.650 20 70 DFIDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1scnc1C ZINC000160237167 295388212 /nfs/dbraw/zinc/38/82/12/295388212.db2.gz RLTXZJBYCOKSMC-UHFFFAOYSA-N 1 2 321.421 2.729 20 70 DFIDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1scnc1C ZINC000160237167 295388215 /nfs/dbraw/zinc/38/82/15/295388215.db2.gz RLTXZJBYCOKSMC-UHFFFAOYSA-N 1 2 321.421 2.729 20 70 DFIDLO CN(Cc1csc(Br)c1)Cc1[nH+]ccn1C ZINC000160845061 295396021 /nfs/dbraw/zinc/39/60/21/295396021.db2.gz HUXMSAVETQXMQZ-UHFFFAOYSA-N 1 2 300.225 2.876 20 70 DFIDLO Cn1cc[nH+]c1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000160878244 295396209 /nfs/dbraw/zinc/39/62/09/295396209.db2.gz CTVPPYIIPLFMIX-INIZCTEOSA-N 1 2 303.381 2.740 20 70 DFIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000161114669 295399015 /nfs/dbraw/zinc/39/90/15/295399015.db2.gz RRTZWRDEZJLPOE-ZDUSSCGKSA-N 1 2 318.396 2.717 20 70 DFIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000161114669 295399016 /nfs/dbraw/zinc/39/90/16/295399016.db2.gz RRTZWRDEZJLPOE-ZDUSSCGKSA-N 1 2 318.396 2.717 20 70 DFIDLO CCn1c2ccc(F)cc2[nH+]c1Cn1cnc(C(C)C)cc1=O ZINC000160779206 333656568 /nfs/dbraw/zinc/65/65/68/333656568.db2.gz JYBYVMPKLVASPE-UHFFFAOYSA-N 1 2 314.364 2.924 20 70 DFIDLO CC[C@H](C)c1cc(C(=O)NCc2ccc[nH+]c2N(C)C)on1 ZINC000160486510 522029649 /nfs/dbraw/zinc/02/96/49/522029649.db2.gz LWBRLZAQNLUMEO-NSHDSACASA-N 1 2 302.378 2.579 20 70 DFIDLO CC[C@@H](C)c1cc(C(=O)NCc2ccc[nH+]c2N(C)C)on1 ZINC000160486378 522420816 /nfs/dbraw/zinc/42/08/16/522420816.db2.gz LWBRLZAQNLUMEO-LLVKDONJSA-N 1 2 302.378 2.579 20 70 DFIDLO CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160362466 523920356 /nfs/dbraw/zinc/92/03/56/523920356.db2.gz ZTRXYFYBCLREIQ-OCCSQVGLSA-N 1 2 302.378 2.818 20 70 DFIDLO CO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160362466 523920364 /nfs/dbraw/zinc/92/03/64/523920364.db2.gz ZTRXYFYBCLREIQ-OCCSQVGLSA-N 1 2 302.378 2.818 20 70 DFIDLO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159448130 526036216 /nfs/dbraw/zinc/03/62/16/526036216.db2.gz GBGZNHMVUQYHOV-VXGBXAGGSA-N 1 2 319.355 2.943 20 70 DFIDLO CC[C@@H](NC(=O)c1ccc(Br)c(O)c1)c1[nH]cc[nH+]1 ZINC000218080793 535799863 /nfs/dbraw/zinc/79/98/63/535799863.db2.gz ZOKKOXYWXVWIEJ-SNVBAGLBSA-N 1 2 324.178 2.759 20 70 DFIDLO Nc1c(N[C@@H]2CCCc3sccc32)[nH+]cnc1-n1cccn1 ZINC000161058467 283653620 /nfs/dbraw/zinc/65/36/20/283653620.db2.gz HGOXKXIEJZVYPI-LLVKDONJSA-N 1 2 312.402 2.796 20 70 DFIDLO CS[C@H](C)CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000161004140 398974266 /nfs/dbraw/zinc/97/42/66/398974266.db2.gz FCAJPPLNUDEOSV-CYBMUJFWSA-N 1 2 308.447 2.599 20 70 DFIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)C1CCOCC1 ZINC000160171250 197390491 /nfs/dbraw/zinc/39/04/91/197390491.db2.gz MRPYIVPURDELDH-CYBMUJFWSA-N 1 2 315.417 2.524 20 70 DFIDLO COC[C@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 ZINC000160028172 197380942 /nfs/dbraw/zinc/38/09/42/197380942.db2.gz MFKRAERDYOSKAL-HNNXBMFYSA-N 1 2 314.389 2.634 20 70 DFIDLO Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000159974718 197378033 /nfs/dbraw/zinc/37/80/33/197378033.db2.gz ZXOCOWQCVFZXCB-CYBMUJFWSA-N 1 2 314.364 2.930 20 70 DFIDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000159894552 197371583 /nfs/dbraw/zinc/37/15/83/197371583.db2.gz LPELAVLEFFIWAV-UHFFFAOYSA-N 1 2 311.364 2.564 20 70 DFIDLO CC(C)c1ncc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)s1 ZINC000159494731 197357734 /nfs/dbraw/zinc/35/77/34/197357734.db2.gz DWJOUNISPYPLTO-UHFFFAOYSA-N 1 2 322.459 2.963 20 70 DFIDLO CC(C)c1ncc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)s1 ZINC000159494731 197357735 /nfs/dbraw/zinc/35/77/35/197357735.db2.gz DWJOUNISPYPLTO-UHFFFAOYSA-N 1 2 322.459 2.963 20 70 DFIDLO Clc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2)nc(C2CC2)n1 ZINC000160388089 425980331 /nfs/dbraw/zinc/98/03/31/425980331.db2.gz JPASETOVIJMANI-GFCCVEGCSA-N 1 2 303.797 2.873 20 70 DFIDLO CC1(C)CCC(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000160760787 425995457 /nfs/dbraw/zinc/99/54/57/425995457.db2.gz QCCKJZKUEGAXGR-MRXNPFEDSA-N 1 2 308.466 2.526 20 70 DFIDLO CC[C@H](c1ccncc1)N(CC)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160830085 425997826 /nfs/dbraw/zinc/99/78/26/425997826.db2.gz NFJHCAABMCDAKA-GOEBONIOSA-N 1 2 315.421 2.849 20 70 DFIDLO C#CC[N@@H+](CCCS(=O)(=O)C(C)C)[C@H]1CCc2ccccc21 ZINC000160862716 425998880 /nfs/dbraw/zinc/99/88/80/425998880.db2.gz GDMAARJUGQJGGB-SFHVURJKSA-N 1 2 319.470 2.822 20 70 DFIDLO C#CC[N@H+](CCCS(=O)(=O)C(C)C)[C@H]1CCc2ccccc21 ZINC000160862716 425998883 /nfs/dbraw/zinc/99/88/83/425998883.db2.gz GDMAARJUGQJGGB-SFHVURJKSA-N 1 2 319.470 2.822 20 70 DFIDLO C[C@@H](c1ccccc1F)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159392581 425959434 /nfs/dbraw/zinc/95/94/34/425959434.db2.gz QEEYXXAGQDRVLC-STQMWFEESA-N 1 2 301.365 2.804 20 70 DFIDLO C[C@@H](SCC[NH+]1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000159828487 425969279 /nfs/dbraw/zinc/96/92/79/425969279.db2.gz NSNQSTQPPNTIDK-CYBMUJFWSA-N 1 2 319.430 2.863 20 70 DFIDLO CC(C)[N@H+](CCc1nccs1)Cc1nsc(N(C)C)n1 ZINC000159844798 425969378 /nfs/dbraw/zinc/96/93/78/425969378.db2.gz CTVYHYWDNNIVTG-UHFFFAOYSA-N 1 2 311.480 2.514 20 70 DFIDLO CC(C)[N@@H+](CCc1nccs1)Cc1nsc(N(C)C)n1 ZINC000159844798 425969381 /nfs/dbraw/zinc/96/93/81/425969381.db2.gz CTVYHYWDNNIVTG-UHFFFAOYSA-N 1 2 311.480 2.514 20 70 DFIDLO CC(C)(C)c1nsc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000159961846 425971350 /nfs/dbraw/zinc/97/13/50/425971350.db2.gz HZVZGCHCQJZFAM-GFCCVEGCSA-N 1 2 304.419 2.888 20 70 DFIDLO CN(CCCCc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160102205 425974228 /nfs/dbraw/zinc/97/42/28/425974228.db2.gz IMJRJESISIEKDF-KRWDZBQOSA-N 1 2 311.429 2.927 20 70 DFIDLO CSCc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161268735 426016014 /nfs/dbraw/zinc/01/60/14/426016014.db2.gz CSCFBGXKQQOUSZ-CYBMUJFWSA-N 1 2 301.415 2.947 20 70 DFIDLO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000159463962 295377472 /nfs/dbraw/zinc/37/74/72/295377472.db2.gz FURABCPLNVEQHN-GRDNDAEWSA-N 1 2 322.474 2.674 20 70 DFIDLO CCOC(=O)C[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000159519170 295377844 /nfs/dbraw/zinc/37/78/44/295377844.db2.gz XNVJXKFVYLDVFQ-UHFFFAOYSA-N 1 2 314.385 2.656 20 70 DFIDLO CCOC(=O)C[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000159519170 295377845 /nfs/dbraw/zinc/37/78/45/295377845.db2.gz XNVJXKFVYLDVFQ-UHFFFAOYSA-N 1 2 314.385 2.656 20 70 DFIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000159575548 295378607 /nfs/dbraw/zinc/37/86/07/295378607.db2.gz QOZVKXSOMGTSDB-IINYFYTJSA-N 1 2 319.792 2.609 20 70 DFIDLO CCn1c(=O)c2cc(F)ccc2nc1SCCn1cc[nH+]c1 ZINC000160335539 295389805 /nfs/dbraw/zinc/38/98/05/295389805.db2.gz HJUOKLGJCQBZDN-UHFFFAOYSA-N 1 2 318.377 2.544 20 70 DFIDLO COC(=O)c1ccc([C@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)o1 ZINC000160551169 295392454 /nfs/dbraw/zinc/39/24/54/295392454.db2.gz BBCRSXIXBBMJQK-NSHDSACASA-N 1 2 303.362 2.730 20 70 DFIDLO CC(C)n1cc[nH+]c1CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000160735244 295394953 /nfs/dbraw/zinc/39/49/53/295394953.db2.gz CSLRJSKNVQMZLP-UHFFFAOYSA-N 1 2 308.426 2.517 20 70 DFIDLO COc1cccc(C[N@@H+](Cc2nccn2C)C[C@H]2CCCO2)c1 ZINC000160855290 295396074 /nfs/dbraw/zinc/39/60/74/295396074.db2.gz QXRMQJZCJQHBPR-QGZVFWFLSA-N 1 2 315.417 2.610 20 70 DFIDLO COc1cccc(C[N@H+](Cc2nccn2C)C[C@H]2CCCO2)c1 ZINC000160855290 295396075 /nfs/dbraw/zinc/39/60/75/295396075.db2.gz QXRMQJZCJQHBPR-QGZVFWFLSA-N 1 2 315.417 2.610 20 70 DFIDLO COc1cccc(CN(Cc2[nH+]ccn2C)C[C@H]2CCCO2)c1 ZINC000160855290 295396077 /nfs/dbraw/zinc/39/60/77/295396077.db2.gz QXRMQJZCJQHBPR-QGZVFWFLSA-N 1 2 315.417 2.610 20 70 DFIDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccn(C)c1 ZINC000160940781 295396716 /nfs/dbraw/zinc/39/67/16/295396716.db2.gz MRZACGKURNDALR-UHFFFAOYSA-N 1 2 321.808 2.758 20 70 DFIDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccn(C)c1 ZINC000160940781 295396717 /nfs/dbraw/zinc/39/67/17/295396717.db2.gz MRZACGKURNDALR-UHFFFAOYSA-N 1 2 321.808 2.758 20 70 DFIDLO CCC[N@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000161114892 295399099 /nfs/dbraw/zinc/39/90/99/295399099.db2.gz ABBOGTSNZPKOSG-NSHDSACASA-N 1 2 321.364 2.503 20 70 DFIDLO CCC[N@@H+](Cc1cc(F)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000161114892 295399100 /nfs/dbraw/zinc/39/91/00/295399100.db2.gz ABBOGTSNZPKOSG-NSHDSACASA-N 1 2 321.364 2.503 20 70 DFIDLO