smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](C)C[C@H](c3ccccc3)C1)CC2 ZINC000160575185 282126386 /nfs/dbraw/zinc/12/63/86/282126386.db2.gz OKBPNESTWHWFAF-ZWQIFLOQSA-N 1 0 324.472 3.463 20 70 DGIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(N2CCCC2=O)cc1 ZINC000159633196 186131699 /nfs/dbraw/zinc/13/16/99/186131699.db2.gz OJQQEQSCNLKJHG-DZGCQCFKSA-N 1 0 304.459 3.360 20 70 DGIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)c1ccccc1C ZINC000159692382 186135598 /nfs/dbraw/zinc/13/55/98/186135598.db2.gz MHKVRKHBYUICLG-HOTGVXAUSA-N 1 0 308.491 3.279 20 70 DGIDRO NC(=O)CC1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000159742195 186138991 /nfs/dbraw/zinc/13/89/91/186138991.db2.gz NFNZLEVBMKWNDR-UHFFFAOYSA-N 1 0 316.445 3.095 20 70 DGIDRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159747744 186139324 /nfs/dbraw/zinc/13/93/24/186139324.db2.gz SDAIATIYSJFODY-XEZPLFJOSA-N 1 0 324.852 3.068 20 70 DGIDRO [NH3+][C@H](C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000159810540 283611625 /nfs/dbraw/zinc/61/16/25/283611625.db2.gz RSJLPERJMTVYEW-RDJZCZTQSA-N 1 0 314.816 3.356 20 70 DGIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000159601866 284320467 /nfs/dbraw/zinc/32/04/67/284320467.db2.gz XOBRBCRYFUDPHH-XOKHGSTOSA-N 1 0 312.413 3.065 20 70 DGIDRO COc1ccc(NC(=O)CSCC[NH+](C(C)C)C(C)C)cc1 ZINC000161066125 197462193 /nfs/dbraw/zinc/46/21/93/197462193.db2.gz LVZXVSQGAZOIKU-UHFFFAOYSA-N 1 0 324.490 3.486 20 70 DGIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])C12CCCCC2 ZINC000161020284 197457266 /nfs/dbraw/zinc/45/72/66/197457266.db2.gz OWVPQTWDMMDMAI-IAGOWNOFSA-N 1 0 324.509 3.482 20 70 DGIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2OC)c1 ZINC000160175807 197391512 /nfs/dbraw/zinc/39/15/12/197391512.db2.gz USSDVQCHARNDKV-CQSZACIVSA-N 1 0 312.413 3.296 20 70 DGIDRO Cc1c(Cl)c(CN(C)[C@H](C[NH3+])C2CC2)nc2ccccc12 ZINC000160071081 197383660 /nfs/dbraw/zinc/38/36/60/197383660.db2.gz SWEHNIWKMARMFR-MRXNPFEDSA-N 1 0 303.837 3.366 20 70 DGIDRO CC[N@H+](CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1)C1CC1 ZINC000160028020 197380929 /nfs/dbraw/zinc/38/09/29/197380929.db2.gz QEARONMHYLPMQD-HXUWFJFHSA-N 1 0 323.440 3.080 20 70 DGIDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159966934 197376508 /nfs/dbraw/zinc/37/65/08/197376508.db2.gz YSXQKULCIQIWPG-HIFRSBDPSA-N 1 0 305.418 3.284 20 70 DGIDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000159955458 197376013 /nfs/dbraw/zinc/37/60/13/197376013.db2.gz DCXVBSSKCZPVED-ZFWWWQNUSA-N 1 0 307.434 3.182 20 70 DGIDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)CC2 ZINC000159944897 197375740 /nfs/dbraw/zinc/37/57/40/197375740.db2.gz URRUQPIJMMNQQC-IAGOWNOFSA-N 1 0 303.427 3.241 20 70 DGIDRO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159900556 197371952 /nfs/dbraw/zinc/37/19/52/197371952.db2.gz HDNSOHOVBSJDLY-KRWDZBQOSA-N 1 0 302.462 3.232 20 70 DGIDRO O=C(c1ccc(Oc2ccccc2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159395182 197350763 /nfs/dbraw/zinc/35/07/63/197350763.db2.gz MAGUHEUQBMWDMF-HXUWFJFHSA-N 1 0 322.408 3.305 20 70 DGIDRO CC(C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160652085 400735454 /nfs/dbraw/zinc/73/54/54/400735454.db2.gz JHHBJKAYMIBVIB-SFHVURJKSA-N 1 0 315.461 3.091 20 70 DGIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(CC1CC1)C1CCCCC1 ZINC000160753509 400736193 /nfs/dbraw/zinc/73/61/93/400736193.db2.gz SKUJFLKGPLQCOB-KRWDZBQOSA-N 1 0 319.493 3.225 20 70 DGIDRO CC[C@@H]([NH2+]CCn1c2ccccc2oc1=O)c1ccc(F)cc1 ZINC000160895584 400736368 /nfs/dbraw/zinc/73/63/68/400736368.db2.gz ZLLWFFFELWHMPU-OAHLLOKOSA-N 1 0 314.360 3.475 20 70 DGIDRO CCS[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159488949 286707222 /nfs/dbraw/zinc/70/72/22/286707222.db2.gz PMSYQQZMICDHEG-LSDHHAIUSA-N 1 0 315.527 3.032 20 70 DGIDRO C[C@H](c1ccccc1Cl)N1CCC([N@H+](C)CCCO)CC1 ZINC000217213767 165376540 /nfs/dbraw/zinc/37/65/40/165376540.db2.gz DHXYVQCYYWVSJV-CQSZACIVSA-N 1 0 310.869 3.180 20 70 DGIDRO CC1(C)C[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)c2ccccc2O1 ZINC000161395762 273588643 /nfs/dbraw/zinc/58/86/43/273588643.db2.gz YOXHWLFNTVVLOQ-RDJZCZTQSA-N 1 0 310.397 3.105 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)[C@@H]1CCCO1 ZINC000216867703 274529328 /nfs/dbraw/zinc/52/93/28/274529328.db2.gz FKWUHHNGOYEMFQ-UVBJJODRSA-N 1 0 324.262 3.464 20 70 DGIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000160203227 274952284 /nfs/dbraw/zinc/95/22/84/274952284.db2.gz AMBUNVXMJHWVTL-CQSZACIVSA-N 1 0 312.438 3.077 20 70 DGIDRO Cc1ncc([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000160474165 279157030 /nfs/dbraw/zinc/15/70/30/279157030.db2.gz XYBAAAVWNOZAJX-CQSZACIVSA-N 1 0 302.466 3.151 20 70 DGIDRO CC(C)[C@@H](CN[C@H](C)c1cscn1)NC(=O)OC(C)(C)C ZINC000218251898 432657678 /nfs/dbraw/zinc/65/76/78/432657678.db2.gz CLGZRQIDOSVZRQ-VXGBXAGGSA-N 1 0 313.467 3.343 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(Cl)cn1 ZINC000160536992 432725924 /nfs/dbraw/zinc/72/59/24/432725924.db2.gz GNKVGIMUYAJMEQ-UHFFFAOYSA-N 1 0 312.845 3.321 20 70 DGIDRO C[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000159702061 432694304 /nfs/dbraw/zinc/69/43/04/432694304.db2.gz AKFOBTKKPOMWGT-KKUMJFAQSA-N 1 0 313.445 3.088 20 70 DGIDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1cnn(C)c1 ZINC000160535502 432726056 /nfs/dbraw/zinc/72/60/56/432726056.db2.gz OEAWEGVNAKXHDJ-OAHLLOKOSA-N 1 0 313.449 3.046 20 70 DGIDRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000159916113 432700510 /nfs/dbraw/zinc/70/05/10/432700510.db2.gz MDTPWJNFQSOSSO-HOTGVXAUSA-N 1 0 310.445 3.353 20 70 DGIDRO Cc1ccccc1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160106305 432706501 /nfs/dbraw/zinc/70/65/01/432706501.db2.gz MTGNDYDUHHNOKO-UHFFFAOYSA-N 1 0 311.429 3.475 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160134953 432708852 /nfs/dbraw/zinc/70/88/52/432708852.db2.gz HNTHLMSNOFVVBJ-SJORKVTESA-N 1 0 314.477 3.312 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000160201369 432710405 /nfs/dbraw/zinc/71/04/05/432710405.db2.gz WBHVRWODABVNCB-PWSUYJOCSA-N 1 0 302.509 3.340 20 70 DGIDRO COc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1Cl ZINC000160225144 432711313 /nfs/dbraw/zinc/71/13/13/432711313.db2.gz HFXQKDRTFMGVIF-CMPLNLGQSA-N 1 0 303.855 3.113 20 70 DGIDRO Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccccc2C)n1 ZINC000160274908 432713869 /nfs/dbraw/zinc/71/38/69/432713869.db2.gz VNAYAURIHHOVPG-SFHVURJKSA-N 1 0 309.413 3.474 20 70 DGIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)CC1 ZINC000160359438 432715746 /nfs/dbraw/zinc/71/57/46/432715746.db2.gz FXYQJXAKNZIJHI-UHFFFAOYSA-N 1 0 305.466 3.244 20 70 DGIDRO CC[NH+]1CCC(NC(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000160337836 432715847 /nfs/dbraw/zinc/71/58/47/432715847.db2.gz KDUUZFXCQZCPEP-CYBMUJFWSA-N 1 0 308.853 3.119 20 70 DGIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC2(CCC2)C1 ZINC000160393719 432716954 /nfs/dbraw/zinc/71/69/54/432716954.db2.gz GDKPVIZDCKXOKD-MRXNPFEDSA-N 1 0 307.482 3.227 20 70 DGIDRO CC(C)(C)c1nsc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160446552 432720876 /nfs/dbraw/zinc/72/08/76/432720876.db2.gz JFXHHQBFRORYSU-ZDUSSCGKSA-N 1 0 308.495 3.290 20 70 DGIDRO C[C@@H](Cc1ccccc1F)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159398694 432681243 /nfs/dbraw/zinc/68/12/43/432681243.db2.gz METYVFVGOBZAPF-RDJZCZTQSA-N 1 0 318.436 3.091 20 70 DGIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000159382646 432681354 /nfs/dbraw/zinc/68/13/54/432681354.db2.gz IQDYSNXHDHWYRO-HNNXBMFYSA-N 1 0 310.507 3.416 20 70 DGIDRO Cc1cc(C)cc(CC[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000159515473 432685392 /nfs/dbraw/zinc/68/53/92/432685392.db2.gz ZBLQBRSVBCVGLL-UHFFFAOYSA-N 1 0 323.484 3.495 20 70 DGIDRO CCN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000159562594 432686588 /nfs/dbraw/zinc/68/65/88/432686588.db2.gz MIAUMJCOYWPDIR-WCQYABFASA-N 1 0 314.351 3.224 20 70 DGIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000159543775 432686859 /nfs/dbraw/zinc/68/68/59/432686859.db2.gz AQDGZCYXCRJLGY-GDBMZVCRSA-N 1 0 316.445 3.094 20 70 DGIDRO CCO[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000159625568 432690175 /nfs/dbraw/zinc/69/01/75/432690175.db2.gz QYWIXJDIKSGOKL-GOSISDBHSA-N 1 0 318.461 3.193 20 70 DGIDRO CS[C@H](C)CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000160881595 432747314 /nfs/dbraw/zinc/74/73/14/432747314.db2.gz KOXQFSFJMZPJEN-MGPQQGTHSA-N 1 0 300.512 3.001 20 70 DGIDRO CCC[C@]1(C)CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160933065 432748789 /nfs/dbraw/zinc/74/87/89/432748789.db2.gz ZHLXNHBWFXTNND-PKOBYXMFSA-N 1 0 300.446 3.130 20 70 DGIDRO C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000160902410 432749193 /nfs/dbraw/zinc/74/91/93/432749193.db2.gz MUTPCIPFRWVFIZ-ZIAGYGMSSA-N 1 0 322.474 3.090 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160982253 432752890 /nfs/dbraw/zinc/75/28/90/432752890.db2.gz OWGHDCOEUASCEG-CVEARBPZSA-N 1 0 318.486 3.247 20 70 DGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2sccc2C)cc1 ZINC000160981271 432753201 /nfs/dbraw/zinc/75/32/01/432753201.db2.gz YBPPSRLLLIQJHQ-ZDUSSCGKSA-N 1 0 318.442 3.032 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014120 432754144 /nfs/dbraw/zinc/75/41/44/432754144.db2.gz RYMYORVAPYQTSR-SIXWZSSISA-N 1 0 318.461 3.227 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2cc(C(CC)CC)no2)CC1 ZINC000161009319 432754478 /nfs/dbraw/zinc/75/44/78/432754478.db2.gz ZPPZHKQELYJYFI-UHFFFAOYSA-N 1 0 307.438 3.040 20 70 DGIDRO COc1ccc(OC)c([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161016034 432755225 /nfs/dbraw/zinc/75/52/25/432755225.db2.gz AOSOFSNDKUOAHB-KKUMJFAQSA-N 1 0 306.450 3.227 20 70 DGIDRO CC(C)c1ncc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)s1 ZINC000161035480 432756671 /nfs/dbraw/zinc/75/66/71/432756671.db2.gz HZNYWLAACDUJEZ-ZDUSSCGKSA-N 1 0 309.479 3.117 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000161076215 432757685 /nfs/dbraw/zinc/75/76/85/432757685.db2.gz VKPJCXXTBFXFNK-VQTJNVASSA-N 1 0 322.452 3.271 20 70 DGIDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cnccn1 ZINC000161131514 432760895 /nfs/dbraw/zinc/76/08/95/432760895.db2.gz SHGFOONBKNDATC-KZULUSFZSA-N 1 0 311.385 3.050 20 70 DGIDRO O=C(Nc1cc(F)ccc1SCC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000161130416 432762130 /nfs/dbraw/zinc/76/21/30/432762130.db2.gz ABPLSVYGJGLFMF-SECBINFHSA-N 1 0 318.364 3.121 20 70 DGIDRO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161167307 432763315 /nfs/dbraw/zinc/76/33/15/432763315.db2.gz UDISSZYOUQVYDU-MVVMVCHASA-N 1 0 304.482 3.351 20 70 DGIDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](CO)CC(C)C)cc1)C(C)C ZINC000161199697 432764888 /nfs/dbraw/zinc/76/48/88/432764888.db2.gz DZGDRSDUOIAZOX-SFHVURJKSA-N 1 0 320.477 3.054 20 70 DGIDRO Cc1ccccc1[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)C(C)C ZINC000161173146 432765212 /nfs/dbraw/zinc/76/52/12/432765212.db2.gz PPXQGUSPSNBHEL-CRAIPNDOSA-N 1 0 320.502 3.246 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000161184885 432765640 /nfs/dbraw/zinc/76/56/40/432765640.db2.gz ZZJPPQRYTHTJOD-CQSZACIVSA-N 1 0 310.869 3.317 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)NCc1csc(-c2ccccc2)n1 ZINC000161180753 432765831 /nfs/dbraw/zinc/76/58/31/432765831.db2.gz HWFKVKSFMNBBEQ-UHFFFAOYSA-N 1 0 317.458 3.191 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000161212674 432767278 /nfs/dbraw/zinc/76/72/78/432767278.db2.gz CGAUEQXIFBDBIY-KRWDZBQOSA-N 1 0 312.413 3.375 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)NCCc1ccc(OCC(C)C)cc1 ZINC000161216795 432767402 /nfs/dbraw/zinc/76/74/02/432767402.db2.gz CJXBRECFEDLDDP-UHFFFAOYSA-N 1 0 320.477 3.145 20 70 DGIDRO CC(C)(O)CC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000161271170 432769704 /nfs/dbraw/zinc/76/97/04/432769704.db2.gz QCVMKPPADJOWPX-UHFFFAOYSA-N 1 0 320.355 3.008 20 70 DGIDRO CC[C@@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc(F)cc1 ZINC000161264646 432769946 /nfs/dbraw/zinc/76/99/46/432769946.db2.gz GJCNVSYMMXTNIV-NXHRZFHOSA-N 1 0 318.436 3.262 20 70 DGIDRO Fc1ccc(OCCCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161276987 432770391 /nfs/dbraw/zinc/77/03/91/432770391.db2.gz MZCILSKWAGYJHL-UHFFFAOYSA-N 1 0 323.408 3.260 20 70 DGIDRO Clc1ccc(CC[NH2+]C2CCC3(CC2)OCCO3)s1 ZINC000161308434 432771941 /nfs/dbraw/zinc/77/19/41/432771941.db2.gz APULHCLQERNFCY-UHFFFAOYSA-N 1 0 301.839 3.219 20 70 DGIDRO CCc1ccc([C@@H]2COCCN2CCC[NH+]2CCCCC2)o1 ZINC000161366679 432775024 /nfs/dbraw/zinc/77/50/24/432775024.db2.gz CMWOKNYNVQYJQN-KRWDZBQOSA-N 1 0 306.450 3.091 20 70 DGIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000161349957 432775391 /nfs/dbraw/zinc/77/53/91/432775391.db2.gz VILSMIQMHWGTDD-SJORKVTESA-N 1 0 316.489 3.376 20 70 DGIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1C=CCCC1 ZINC000161394780 432776410 /nfs/dbraw/zinc/77/64/10/432776410.db2.gz XEVPCIJGPOKZHV-ROUUACIJSA-N 1 0 313.445 3.231 20 70 DGIDRO CC1(C)C[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)c2ccccc2O1 ZINC000161395498 432776579 /nfs/dbraw/zinc/77/65/79/432776579.db2.gz YOXHWLFNTVVLOQ-DOTOQJQBSA-N 1 0 310.397 3.105 20 70 DGIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000161401411 432776708 /nfs/dbraw/zinc/77/67/08/432776708.db2.gz HJFXHBACBGDXEX-KBXCAEBGSA-N 1 0 312.413 3.072 20 70 DGIDRO COc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(F)c1 ZINC000161426749 432778373 /nfs/dbraw/zinc/77/83/73/432778373.db2.gz LIKOKPCVEZOAOA-ZFWWWQNUSA-N 1 0 303.377 3.261 20 70 DGIDRO Clc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161406109 432778692 /nfs/dbraw/zinc/77/86/92/432778692.db2.gz WMLMMKRTIMMZBH-AWEZNQCLSA-N 1 0 316.836 3.257 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)CCc3ccoc3)CC2)CC1 ZINC000161455587 432780447 /nfs/dbraw/zinc/78/04/47/432780447.db2.gz WOXYGGRFBBQBPC-UHFFFAOYSA-N 1 0 318.461 3.372 20 70 DGIDRO CC1(C)C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CCO1 ZINC000160600922 432731245 /nfs/dbraw/zinc/73/12/45/432731245.db2.gz SEODMLQQDLCNJX-OAHLLOKOSA-N 1 0 303.381 3.263 20 70 DGIDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CCOCC1 ZINC000160635675 432732362 /nfs/dbraw/zinc/73/23/62/432732362.db2.gz VUSGCSZBHDBAFD-ZDUSSCGKSA-N 1 0 308.491 3.359 20 70 DGIDRO CC(C)S(=O)(=O)CCC[NH+]1CCC(c2ccccc2)CC1 ZINC000160659186 432733662 /nfs/dbraw/zinc/73/36/62/432733662.db2.gz MUGCHRMLVBQZTH-UHFFFAOYSA-N 1 0 309.475 3.079 20 70 DGIDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000160725629 432736944 /nfs/dbraw/zinc/73/69/44/432736944.db2.gz SNXQFYHOQGHWGR-KDOFPFPSSA-N 1 0 314.404 3.081 20 70 DGIDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000160731840 432738953 /nfs/dbraw/zinc/73/89/53/432738953.db2.gz JYDJAZJHCOWKNL-UHFFFAOYSA-N 1 0 313.445 3.472 20 70 DGIDRO CNC(=O)c1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000160809483 432742571 /nfs/dbraw/zinc/74/25/71/432742571.db2.gz BBPPEJOJZZLCLY-UHFFFAOYSA-N 1 0 306.768 3.129 20 70 DGIDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(F)cc1 ZINC000160866531 432745655 /nfs/dbraw/zinc/74/56/55/432745655.db2.gz CXCNAXLIBVTEEV-QGZVFWFLSA-N 1 0 312.388 3.456 20 70 DGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnc(C)s2)cc1 ZINC000159373892 292791215 /nfs/dbraw/zinc/79/12/15/292791215.db2.gz WKZGPQOKJGOLEE-NSHDSACASA-N 1 0 324.471 3.096 20 70 DGIDRO CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC000159441108 292792587 /nfs/dbraw/zinc/79/25/87/292792587.db2.gz ULVSKAFSAZYNKJ-OAHLLOKOSA-N 1 0 302.418 3.294 20 70 DGIDRO C[NH+](C)[C@H](CNC(=O)c1occc1-c1ccc(F)cc1)C1CC1 ZINC000159581302 292795721 /nfs/dbraw/zinc/79/57/21/292795721.db2.gz BLUJPGGSYRJZEQ-MRXNPFEDSA-N 1 0 316.376 3.156 20 70 DGIDRO Cc1cccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1F ZINC000159631809 292797036 /nfs/dbraw/zinc/79/70/36/292797036.db2.gz GGQUFMAEFIWPFZ-MRXNPFEDSA-N 1 0 314.404 3.037 20 70 DGIDRO Cc1cc(C)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[nH]1 ZINC000159671052 292798010 /nfs/dbraw/zinc/79/80/10/292798010.db2.gz KVOYXCOAFXRCSP-AWEZNQCLSA-N 1 0 317.458 3.260 20 70 DGIDRO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000159826672 292801414 /nfs/dbraw/zinc/80/14/14/292801414.db2.gz DQWWCHOQIICEOS-UXHICEINSA-N 1 0 320.436 3.011 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000159899720 292802946 /nfs/dbraw/zinc/80/29/46/292802946.db2.gz FVHPLDFNTMVWGU-CYBMUJFWSA-N 1 0 300.406 3.010 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCOC2)c1 ZINC000159922665 292803607 /nfs/dbraw/zinc/80/36/07/292803607.db2.gz HHVUOYGHNJKCST-WBVHZDCISA-N 1 0 304.434 3.330 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000160153539 292808973 /nfs/dbraw/zinc/80/89/73/292808973.db2.gz ZMBVBCIOLLMAGP-HZPDHXFCSA-N 1 0 311.491 3.164 20 70 DGIDRO C[NH+](C)[C@H](CNC(=O)N1CCC2(CCC2)C1)C1CCCCC1 ZINC000160260113 292810677 /nfs/dbraw/zinc/81/06/77/292810677.db2.gz BKKPDSNWVGYNTH-MRXNPFEDSA-N 1 0 307.482 3.083 20 70 DGIDRO CCC(CC)n1ncc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1C ZINC000160313635 292812296 /nfs/dbraw/zinc/81/22/96/292812296.db2.gz HHEYIENXVFQRPK-CQSZACIVSA-N 1 0 320.481 3.014 20 70 DGIDRO COc1cccc(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)c1 ZINC000160697193 292819704 /nfs/dbraw/zinc/81/97/04/292819704.db2.gz CRUCZJKWKAEJAG-UHFFFAOYSA-N 1 0 321.424 3.499 20 70 DGIDRO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160996322 292825991 /nfs/dbraw/zinc/82/59/91/292825991.db2.gz JSHJHIIWIKQNMX-OAHLLOKOSA-N 1 0 306.450 3.287 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000161184771 292831000 /nfs/dbraw/zinc/83/10/00/292831000.db2.gz ZZJPPQRYTHTJOD-AWEZNQCLSA-N 1 0 310.869 3.317 20 70 DGIDRO CCc1ccc(/C=C/C(=O)NC2CCC(C[NH+](C)C)CC2)o1 ZINC000161326593 292833235 /nfs/dbraw/zinc/83/32/35/292833235.db2.gz HHHKZQAXPVHTRR-VAWYXSNFSA-N 1 0 304.434 3.092 20 70 DGIDRO CCSCc1cccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000161480242 292835799 /nfs/dbraw/zinc/83/57/99/292835799.db2.gz KSVXLYJDUQPUJN-KRWDZBQOSA-N 1 0 314.454 3.448 20 70 DGIDRO Cc1csc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000159390614 293032363 /nfs/dbraw/zinc/03/23/63/293032363.db2.gz KEMILKGVTBQQKK-UHFFFAOYSA-N 1 0 303.475 3.452 20 70 DGIDRO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000159782644 500977958 /nfs/dbraw/zinc/97/79/58/500977958.db2.gz VAQOFXFAHIFROO-AYBZRNKSSA-N 1 0 300.446 3.437 20 70 DGIDRO C[C@@H](CSCc1ccccc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000161291432 534191678 /nfs/dbraw/zinc/19/16/78/534191678.db2.gz BRZUKSZEHYDHHI-HNNXBMFYSA-N 1 0 320.502 3.014 20 70 DGIDRO CC1(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000159556098 520220977 /nfs/dbraw/zinc/22/09/77/520220977.db2.gz ZVCAXEIHABKXMV-UHFFFAOYSA-N 1 0 306.837 3.221 20 70 DGIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160364912 524330171 /nfs/dbraw/zinc/33/01/71/524330171.db2.gz VABQJHQPMZZBQE-XPKDYRNWSA-N 1 0 322.399 3.059 20 70 DGIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160364650 524330344 /nfs/dbraw/zinc/33/03/44/524330344.db2.gz VABQJHQPMZZBQE-XNRPHZJLSA-N 1 0 322.399 3.059 20 70 DGIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160364526 524606038 /nfs/dbraw/zinc/60/60/38/524606038.db2.gz VABQJHQPMZZBQE-JGGQBBKZSA-N 1 0 322.399 3.059 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000160391112 525641444 /nfs/dbraw/zinc/64/14/44/525641444.db2.gz SJQBBAIBVPUOSJ-GXSJLCMTSA-N 1 0 323.380 3.192 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000160413441 525643219 /nfs/dbraw/zinc/64/32/19/525643219.db2.gz OQKMTGOZXDBXNJ-CMPLNLGQSA-N 1 0 323.380 3.350 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000160391297 525643311 /nfs/dbraw/zinc/64/33/11/525643311.db2.gz SJQBBAIBVPUOSJ-MWLCHTKSSA-N 1 0 323.380 3.192 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000160411597 525699407 /nfs/dbraw/zinc/69/94/07/525699407.db2.gz OASULHXOQSDAPU-JQWIXIFHSA-N 1 0 323.380 3.350 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000160285153 525700829 /nfs/dbraw/zinc/70/08/29/525700829.db2.gz VKCBRHAIRJQDSM-ZBFHGGJFSA-N 1 0 311.491 3.486 20 70 DGIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000159450808 546053772 /nfs/dbraw/zinc/05/37/72/546053772.db2.gz XSHDSJUMKIQSTF-MRXNPFEDSA-N 1 0 321.428 3.172 20 70 DGIDRO Cc1cc(NC(=O)[C@H]([NH3+])CC(C)C)ccc1OCC(F)(F)F ZINC000159563112 546054431 /nfs/dbraw/zinc/05/44/31/546054431.db2.gz LYKADNULIKIZHQ-GFCCVEGCSA-N 1 0 318.339 3.248 20 70 DGIDRO C[C@@H]1SCCN(C(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccccc1 ZINC000159680812 546055112 /nfs/dbraw/zinc/05/51/12/546055112.db2.gz YPYAXSIWTFCXMK-LRDDRELGSA-N 1 0 316.426 3.057 20 70 DGIDRO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccncc1 ZINC000159909110 546057293 /nfs/dbraw/zinc/05/72/93/546057293.db2.gz BFDPOHZMSRVQBV-FUHWJXTLSA-N 1 0 315.461 3.052 20 70 DGIDRO COC[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000161170080 546065593 /nfs/dbraw/zinc/06/55/93/546065593.db2.gz HPUMJQARMGDOMG-CQSZACIVSA-N 1 0 303.324 3.142 20 70 DGIDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1(CC)CC ZINC000161302970 546067326 /nfs/dbraw/zinc/06/73/26/546067326.db2.gz LRCZQXTVRMABIF-LSDHHAIUSA-N 1 0 318.452 3.289 20 70 DGIDRO Fc1ccc(OCCN2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000216703453 546262555 /nfs/dbraw/zinc/26/25/55/546262555.db2.gz HYGYSMCKJOZSAQ-GOSISDBHSA-N 1 0 319.351 3.417 20 70 DGIDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCNC(=O)OC(C)(C)C ZINC000218143903 627104057 /nfs/dbraw/zinc/10/40/57/627104057.db2.gz OZADMFCOWKESNP-GFCCVEGCSA-N 1 0 312.841 3.385 20 70 DGIDRO CCc1ccccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000160715233 529568545 /nfs/dbraw/zinc/56/85/45/529568545.db2.gz IIXSZBQKJAXUEE-GOSISDBHSA-N 1 0 314.404 3.421 20 70 DGIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCSC1 ZINC000161249598 292832064 /nfs/dbraw/zinc/83/20/64/292832064.db2.gz ULPRATIUXLMMQJ-QWHCGFSZSA-N 1 0 302.484 3.021 20 70 DGIDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159547005 186126421 /nfs/dbraw/zinc/12/64/21/186126421.db2.gz KLAQWLGHCOLQQW-OAHLLOKOSA-N 1 0 304.434 3.137 20 70 DGIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)c1ccccc1C ZINC000159695199 186135974 /nfs/dbraw/zinc/13/59/74/186135974.db2.gz MHKVRKHBYUICLG-HZPDHXFCSA-N 1 0 308.491 3.279 20 70 DGIDRO C[NH2+]C[C@@H](C)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000161321709 283535546 /nfs/dbraw/zinc/53/55/46/283535546.db2.gz YVBZKQQIRANBKS-LLVKDONJSA-N 1 0 314.351 3.056 20 70 DGIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000159601611 284320141 /nfs/dbraw/zinc/32/01/41/284320141.db2.gz XOBRBCRYFUDPHH-RRQGHBQHSA-N 1 0 312.413 3.065 20 70 DGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)CCC=C(C)C)c1 ZINC000161427567 197494233 /nfs/dbraw/zinc/49/42/33/197494233.db2.gz IRVAVOOIJVHAOP-HUUCEWRRSA-N 1 0 324.490 3.380 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000161074575 197462472 /nfs/dbraw/zinc/46/24/72/197462472.db2.gz IGEWAHRDPPQDMW-CQSZACIVSA-N 1 0 314.429 3.384 20 70 DGIDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cnccn1 ZINC000161131398 197467830 /nfs/dbraw/zinc/46/78/30/197467830.db2.gz SHGFOONBKNDATC-KPZWWZAWSA-N 1 0 311.385 3.050 20 70 DGIDRO Brc1ccc(C[NH2+]C[C@H]2CCCO2)c2ncccc12 ZINC000160306746 197399216 /nfs/dbraw/zinc/39/92/16/197399216.db2.gz WRVIUTKHGKXKHG-GFCCVEGCSA-N 1 0 321.218 3.266 20 70 DGIDRO CCN(C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)c1nc(C)cs1 ZINC000160174030 197391289 /nfs/dbraw/zinc/39/12/89/197391289.db2.gz OSKWDGCYJZHQHT-OCCSQVGLSA-N 1 0 303.431 3.141 20 70 DGIDRO Cc1cncc(/C=C/C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000160220304 197394329 /nfs/dbraw/zinc/39/43/29/197394329.db2.gz WSMYPDWUOHXMAU-MDZDMXLPSA-N 1 0 323.440 3.042 20 70 DGIDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000160109540 197386173 /nfs/dbraw/zinc/38/61/73/197386173.db2.gz SEFKXQYJOVPGQE-NSHDSACASA-N 1 0 322.861 3.165 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160099652 197385039 /nfs/dbraw/zinc/38/50/39/197385039.db2.gz BXZQKJNCAVGMPW-GJZGRUSLSA-N 1 0 319.449 3.024 20 70 DGIDRO COCc1cc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000159974087 197378132 /nfs/dbraw/zinc/37/81/32/197378132.db2.gz HCCHTUNVWCPENM-XJKSGUPXSA-N 1 0 307.434 3.450 20 70 DGIDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159966521 197377136 /nfs/dbraw/zinc/37/71/36/197377136.db2.gz YSXQKULCIQIWPG-DZGCQCFKSA-N 1 0 305.418 3.284 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000159842449 197368563 /nfs/dbraw/zinc/36/85/63/197368563.db2.gz LKEMSKOXSVECSR-HZPDHXFCSA-N 1 0 320.502 3.398 20 70 DGIDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c1 ZINC000159840787 197368411 /nfs/dbraw/zinc/36/84/11/197368411.db2.gz NUJRFQRYMIEARC-KBXCAEBGSA-N 1 0 316.445 3.472 20 70 DGIDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc3C2)cn1 ZINC000159816732 197366546 /nfs/dbraw/zinc/36/65/46/197366546.db2.gz HOWCXKWHLDJVHN-HZPDHXFCSA-N 1 0 312.461 3.000 20 70 DGIDRO Cc1ccc(N[C@H](C)CCn2cccn2)c(OCC[NH+](C)C)c1 ZINC000159462236 197355215 /nfs/dbraw/zinc/35/52/15/197355215.db2.gz UDZLGQDJMVTAAD-MRXNPFEDSA-N 1 0 316.449 3.023 20 70 DGIDRO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000216829594 285121644 /nfs/dbraw/zinc/12/16/44/285121644.db2.gz GKPNFUICQQYFJC-QLFBSQMISA-N 1 0 308.491 3.463 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000159773518 400731224 /nfs/dbraw/zinc/73/12/24/400731224.db2.gz ROXWVEFSSRKDSZ-MRXNPFEDSA-N 1 0 324.440 3.124 20 70 DGIDRO Cc1csc(CCCC[NH2+]C2CCN(CC(F)F)CC2)n1 ZINC000160673879 400734931 /nfs/dbraw/zinc/73/49/31/400734931.db2.gz GWUKXLQEDFQAHV-UHFFFAOYSA-N 1 0 317.449 3.093 20 70 DGIDRO C[C@@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCCC1 ZINC000160729660 286782794 /nfs/dbraw/zinc/78/27/94/286782794.db2.gz DXEFOPLWCYSZBN-IRXDYDNUSA-N 1 0 322.493 3.249 20 70 DGIDRO CCn1nccc1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000159890159 228243918 /nfs/dbraw/zinc/24/39/18/228243918.db2.gz GWPIAQWNVPTYJZ-UHFFFAOYSA-N 1 0 304.482 3.181 20 70 DGIDRO C[N@H+](CCOc1cccc(Cl)c1)C[C@H](O)Cc1ccccc1 ZINC000218763190 263836201 /nfs/dbraw/zinc/83/62/01/263836201.db2.gz QOYVQXFVIKYLBG-QGZVFWFLSA-N 1 0 319.832 3.254 20 70 DGIDRO O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000216870119 275053193 /nfs/dbraw/zinc/05/31/93/275053193.db2.gz MZUBXVBTLPBZHH-BZUAXINKSA-N 1 0 324.262 3.200 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161239020 275954507 /nfs/dbraw/zinc/95/45/07/275954507.db2.gz YSISCONYDWHUQV-HIFRSBDPSA-N 1 0 306.425 3.295 20 70 DGIDRO Brc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000217266525 432654261 /nfs/dbraw/zinc/65/42/61/432654261.db2.gz UYHBXOSAQIXKHN-HNNXBMFYSA-N 1 0 309.251 3.025 20 70 DGIDRO CCc1ccc(CC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000159712894 432693343 /nfs/dbraw/zinc/69/33/43/432693343.db2.gz FERKJXFJJVUUIZ-UHFFFAOYSA-N 1 0 310.441 3.170 20 70 DGIDRO C[C@@H](CCC(C)(C)C)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000159771826 432695698 /nfs/dbraw/zinc/69/56/98/432695698.db2.gz SLDNXOAUWXPEGZ-AWEZNQCLSA-N 1 0 305.466 3.357 20 70 DGIDRO CC(C)CCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159806086 432697821 /nfs/dbraw/zinc/69/78/21/432697821.db2.gz NAKBOXZLLXFOCT-UHFFFAOYSA-N 1 0 318.461 3.199 20 70 DGIDRO [NH3+][C@H](C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000159810767 432697863 /nfs/dbraw/zinc/69/78/63/432697863.db2.gz RSJLPERJMTVYEW-WBVHZDCISA-N 1 0 314.816 3.356 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159852649 432698624 /nfs/dbraw/zinc/69/86/24/432698624.db2.gz GMDZJODOCGFDCK-GJZGRUSLSA-N 1 0 306.475 3.149 20 70 DGIDRO C[C@H]1C[C@H](NC(=O)N(C)CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000159914794 432700634 /nfs/dbraw/zinc/70/06/34/432700634.db2.gz BKKGCLQSNDLCSW-YJBOKZPZSA-N 1 0 315.461 3.091 20 70 DGIDRO CSCCCCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000159939602 432701014 /nfs/dbraw/zinc/70/10/14/432701014.db2.gz KBPJCZGOWKTJEF-OAHLLOKOSA-N 1 0 300.512 3.148 20 70 DGIDRO C[C@@H]1C[C@H](NC(=O)N(C)CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000159914659 432701107 /nfs/dbraw/zinc/70/11/07/432701107.db2.gz BKKGCLQSNDLCSW-QAPCUYQASA-N 1 0 315.461 3.091 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000160142895 432709228 /nfs/dbraw/zinc/70/92/28/432709228.db2.gz YSJUURQECZCIEP-STQMWFEESA-N 1 0 317.882 3.201 20 70 DGIDRO CCCC(=O)N[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000160188034 432710691 /nfs/dbraw/zinc/71/06/91/432710691.db2.gz OZTFXORXKWLSRN-KRWDZBQOSA-N 1 0 318.461 3.009 20 70 DGIDRO CC[NH+](CC)[C@@H](CNC(=O)C1=CCCC1)c1cccc(OC)c1 ZINC000160245050 432712335 /nfs/dbraw/zinc/71/23/35/432712335.db2.gz OEVCZIHDUZTQQE-SFHVURJKSA-N 1 0 316.445 3.305 20 70 DGIDRO C[N@H+](CC(=O)N1CCC[C@@H](C(C)(C)C)CC1)[C@@H]1CCSC1 ZINC000160283676 432713077 /nfs/dbraw/zinc/71/30/77/432713077.db2.gz NESQRDDMRSTRPB-HUUCEWRRSA-N 1 0 312.523 3.099 20 70 DGIDRO CC[NH+]1CCC(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000160337695 432715859 /nfs/dbraw/zinc/71/58/59/432715859.db2.gz KDUUZFXCQZCPEP-ZDUSSCGKSA-N 1 0 308.853 3.119 20 70 DGIDRO Cc1ccc(COc2ccc(C[N@@H+]3CCC[C@@H]3C(N)=O)cc2)cc1 ZINC000160360666 432715929 /nfs/dbraw/zinc/71/59/29/432715929.db2.gz RRGNFIHWFGLMFR-LJQANCHMSA-N 1 0 324.424 3.024 20 70 DGIDRO CCc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(-c2ccncc2)n1 ZINC000160367134 432717222 /nfs/dbraw/zinc/71/72/22/432717222.db2.gz MLKZQXJJPIHBMP-DLBZAZTESA-N 1 0 324.428 3.471 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)CC2 ZINC000160384681 432717877 /nfs/dbraw/zinc/71/78/77/432717877.db2.gz QTIXETSGPBSYCF-CABZTGNLSA-N 1 0 308.788 3.045 20 70 DGIDRO CCN(CC1CC1)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160404491 432719883 /nfs/dbraw/zinc/71/98/83/432719883.db2.gz XXAUFIUMNAUOLQ-YJBOKZPZSA-N 1 0 315.461 3.091 20 70 DGIDRO Cc1cc(Oc2ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc2)n[nH]1 ZINC000160460845 432720294 /nfs/dbraw/zinc/72/02/94/432720294.db2.gz VUADPXBBHOKGAH-INIZCTEOSA-N 1 0 316.405 3.035 20 70 DGIDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160487510 432722544 /nfs/dbraw/zinc/72/25/44/432722544.db2.gz ADZPJUZMEXEOBS-JQHSSLGASA-N 1 0 302.462 3.054 20 70 DGIDRO COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000160477199 432722696 /nfs/dbraw/zinc/72/26/96/432722696.db2.gz XEMBHECOOPPTHA-LZWOXQAQSA-N 1 0 307.434 3.214 20 70 DGIDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC1CCC(C(C)C)CC1 ZINC000160472825 432723438 /nfs/dbraw/zinc/72/34/38/432723438.db2.gz CVVOHYBLLMTZAQ-LEOMRAHMSA-N 1 0 324.509 3.111 20 70 DGIDRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000160505945 432724230 /nfs/dbraw/zinc/72/42/30/432724230.db2.gz WKXSCYBEZPQEHD-NWDGAFQWSA-N 1 0 303.324 3.099 20 70 DGIDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159363166 432680496 /nfs/dbraw/zinc/68/04/96/432680496.db2.gz DQZXHLSOFVLCGS-NEPJUHHUSA-N 1 0 305.340 3.356 20 70 DGIDRO C[C@H](Cc1ccccc1F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159399100 432681142 /nfs/dbraw/zinc/68/11/42/432681142.db2.gz METYVFVGOBZAPF-NVXWUHKLSA-N 1 0 318.436 3.091 20 70 DGIDRO O=C(C[NH2+]CC1CC1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000159472560 432683095 /nfs/dbraw/zinc/68/30/95/432683095.db2.gz AVOULEJNHGCATC-MRXNPFEDSA-N 1 0 314.454 3.148 20 70 DGIDRO CN(C)c1ccccc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159485805 432684765 /nfs/dbraw/zinc/68/47/65/432684765.db2.gz CXWDWHYQFVFCNU-OAQYLSRUSA-N 1 0 322.452 3.427 20 70 DGIDRO CC1(C)Cc2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)c2O1 ZINC000159546012 432687311 /nfs/dbraw/zinc/68/73/11/432687311.db2.gz AJNYQCNWFJCNLS-NXHRZFHOSA-N 1 0 313.441 3.447 20 70 DGIDRO CC[C@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccc(OC)cc1 ZINC000159583259 432688158 /nfs/dbraw/zinc/68/81/58/432688158.db2.gz CIADHMHSNYEOOU-RDTXWAMCSA-N 1 0 318.461 3.035 20 70 DGIDRO Cc1cc(C)n(-c2ccc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)cc2)n1 ZINC000159573886 432688521 /nfs/dbraw/zinc/68/85/21/432688521.db2.gz BXMQRSQETCBUMK-HKUYNNGSSA-N 1 0 313.445 3.082 20 70 DGIDRO CC(C)S(=O)(=O)CCC[N@H+](C)CCCCc1ccccc1 ZINC000160892527 432747613 /nfs/dbraw/zinc/74/76/13/432747613.db2.gz GNLPYQPFUJHBIK-UHFFFAOYSA-N 1 0 311.491 3.154 20 70 DGIDRO C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000160902526 432749616 /nfs/dbraw/zinc/74/96/16/432749616.db2.gz MUTPCIPFRWVFIZ-KBPBESRZSA-N 1 0 322.474 3.090 20 70 DGIDRO CC(C)[NH+](CCSCC(=O)NCc1ccccc1)C(C)C ZINC000160997923 432752998 /nfs/dbraw/zinc/75/29/98/432752998.db2.gz PCFJTGAGQVXGIJ-UHFFFAOYSA-N 1 0 308.491 3.155 20 70 DGIDRO O[C@@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1Cl ZINC000161031947 432755933 /nfs/dbraw/zinc/75/59/33/432755933.db2.gz UHFWAHRSMDZRDT-XOKHGSTOSA-N 1 0 309.837 3.000 20 70 DGIDRO CC(C)C[C@@H]1CCCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000161050259 432756851 /nfs/dbraw/zinc/75/68/51/432756851.db2.gz CLJBIQFJEFXBCZ-FUHWJXTLSA-N 1 0 324.509 3.064 20 70 DGIDRO CCC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)C(C)C ZINC000161085608 432758479 /nfs/dbraw/zinc/75/84/79/432758479.db2.gz HNSQWQAUUZSMJK-ROUUACIJSA-N 1 0 320.477 3.486 20 70 DGIDRO CC[C@H]([NH2+]CCCOCc1ccc(OC)cc1)[C@@H]1CCOC1 ZINC000161093874 432759443 /nfs/dbraw/zinc/75/94/43/432759443.db2.gz XQGCFWDNOICOMI-AEFFLSMTSA-N 1 0 307.434 3.007 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)Nc1nc2c(cccc2OC)s1 ZINC000161168030 432763369 /nfs/dbraw/zinc/76/33/69/432763369.db2.gz SMAAMMIYJGBTJS-UHFFFAOYSA-N 1 0 307.419 3.009 20 70 DGIDRO CC[C@H]([NH2+]CCNC(=O)C(C)C)c1cccc(Cl)c1F ZINC000161496063 432782521 /nfs/dbraw/zinc/78/25/21/432782521.db2.gz KBENIMFISPCXAC-ZDUSSCGKSA-N 1 0 300.805 3.292 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCCOc1cc(C)ccc1C ZINC000161198202 432765746 /nfs/dbraw/zinc/76/57/46/432765746.db2.gz OOUFWHYWGHUMAR-QGZVFWFLSA-N 1 0 318.461 3.063 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC000161212907 432766009 /nfs/dbraw/zinc/76/60/09/432766009.db2.gz SLHCXJWULJHYKE-CYBMUJFWSA-N 1 0 304.365 3.198 20 70 DGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000161202259 432767290 /nfs/dbraw/zinc/76/72/90/432767290.db2.gz BUJJGQYTBDASHA-LSDHHAIUSA-N 1 0 306.450 3.229 20 70 DGIDRO Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161236009 432767652 /nfs/dbraw/zinc/76/76/52/432767652.db2.gz UUUWGMQTDBXNOF-NXHRZFHOSA-N 1 0 300.446 3.294 20 70 DGIDRO O=C(NC(c1cccs1)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000161299926 432771342 /nfs/dbraw/zinc/77/13/42/432771342.db2.gz LQRMLDDMJPIILJ-NSHDSACASA-N 1 0 306.456 3.015 20 70 DGIDRO CC[C@H]([NH2+]C[C@@H](C)COCc1ccccc1)c1cnn(C)c1 ZINC000161295030 432772076 /nfs/dbraw/zinc/77/20/76/432772076.db2.gz JWNWBCBYZHXEOD-QAPCUYQASA-N 1 0 301.434 3.314 20 70 DGIDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2(C)CCC2)CC1 ZINC000161315711 432773630 /nfs/dbraw/zinc/77/36/30/432773630.db2.gz CSVUUZIBRGLBDA-HNNXBMFYSA-N 1 0 315.461 3.454 20 70 DGIDRO Cc1cccc([C@@H]2CCCCN2C(=O)C[C@H]2CCC[NH2+]2)c1C ZINC000161339384 432774229 /nfs/dbraw/zinc/77/42/29/432774229.db2.gz ZKSGBEJDSNJIQJ-AEFFLSMTSA-N 1 0 300.446 3.499 20 70 DGIDRO Cc1sc2[nH]c(C[N@@H+](CC(C)C)C3CC3)nc(=O)c2c1C ZINC000161369487 432774355 /nfs/dbraw/zinc/77/43/55/432774355.db2.gz BPFWWUUZLLQVDM-UHFFFAOYSA-N 1 0 305.447 3.222 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000160527650 432727165 /nfs/dbraw/zinc/72/71/65/432727165.db2.gz LCCQHSABNIFMNA-UGSOOPFHSA-N 1 0 310.445 3.131 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)Cc1c(Cl)cccc1Cl ZINC000160544364 432727435 /nfs/dbraw/zinc/72/74/35/432727435.db2.gz ROIZPLHZVAJPHR-UHFFFAOYSA-N 1 0 303.233 3.170 20 70 DGIDRO CCc1ccc(CC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000160631056 432732612 /nfs/dbraw/zinc/73/26/12/432732612.db2.gz PBLAAVDOHADOMF-KRWDZBQOSA-N 1 0 316.489 3.420 20 70 DGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2OCc2ccccc2C)C1 ZINC000160753254 432738209 /nfs/dbraw/zinc/73/82/09/432738209.db2.gz UBEZYOJXKVDVIA-KRWDZBQOSA-N 1 0 324.424 3.008 20 70 DGIDRO CCCC[N@H+](Cc1cc(C)c(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000160752801 432739308 /nfs/dbraw/zinc/73/93/08/432739308.db2.gz WSHIWGZPXPERSN-SFHVURJKSA-N 1 0 323.502 3.401 20 70 DGIDRO CCCC1(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000160772608 432740445 /nfs/dbraw/zinc/74/04/45/432740445.db2.gz KTMRULLTFSMJGR-INIZCTEOSA-N 1 0 304.409 3.315 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000159943138 292803677 /nfs/dbraw/zinc/80/36/77/292803677.db2.gz LQWZTNAUYQSDFQ-CQSZACIVSA-N 1 0 304.434 3.330 20 70 DGIDRO Cc1cccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)c1 ZINC000160068908 292807024 /nfs/dbraw/zinc/80/70/24/292807024.db2.gz PVUZTLZPAYLEDP-UHFFFAOYSA-N 1 0 311.429 3.475 20 70 DGIDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(C)c1 ZINC000160529312 292816164 /nfs/dbraw/zinc/81/61/64/292816164.db2.gz VBMONBJXZCESGI-NUJGCVRESA-N 1 0 318.461 3.161 20 70 DGIDRO Cc1nc2ccccn2c1C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000160517677 292816321 /nfs/dbraw/zinc/81/63/21/292816321.db2.gz DCMGVYVRUQTCEB-AUUYWEPGSA-N 1 0 315.461 3.310 20 70 DGIDRO CC(=O)NC1CCC([NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000161261770 292832175 /nfs/dbraw/zinc/83/21/75/292832175.db2.gz YFVYSPNLYKRUKK-ACBHZAAOSA-N 1 0 302.462 3.463 20 70 DGIDRO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)N(C)C)c2)n1 ZINC000159736976 302026740 /nfs/dbraw/zinc/02/67/40/302026740.db2.gz ZSOKHFJLWJLPAN-IBGZPJMESA-N 1 0 323.440 3.429 20 70 DGIDRO CC(C)[C@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159674792 519817033 /nfs/dbraw/zinc/81/70/33/519817033.db2.gz RTYYVUIROBYNBG-HNNXBMFYSA-N 1 0 306.475 3.191 20 70 DGIDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](CC)[C@H]2CCOC2)cc1 ZINC000160116042 520685790 /nfs/dbraw/zinc/68/57/90/520685790.db2.gz IZQWUOSCLGOBRB-ZWKOTPCHSA-N 1 0 318.461 3.121 20 70 DGIDRO [NH3+]C1(CNC(=O)CCCOc2ccccc2Cl)CCCCC1 ZINC000159763117 534534568 /nfs/dbraw/zinc/53/45/68/534534568.db2.gz CPZZHLQXVRJHEX-UHFFFAOYSA-N 1 0 324.852 3.277 20 70 DGIDRO CCOCCC1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCC1 ZINC000160410273 521690248 /nfs/dbraw/zinc/69/02/48/521690248.db2.gz HJDSKBDSECPEOK-UHFFFAOYSA-N 1 0 318.461 3.075 20 70 DGIDRO CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000159907160 523884921 /nfs/dbraw/zinc/88/49/21/523884921.db2.gz YFDFPKXPBAHBDY-GFCCVEGCSA-N 1 0 302.205 3.194 20 70 DGIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160492632 525500650 /nfs/dbraw/zinc/50/06/50/525500650.db2.gz PSAITJQHTBDXAW-MRRJBJDNSA-N 1 0 316.445 3.118 20 70 DGIDRO Cc1nc(CC(C)C)c(C(=O)NCC2([NH3+])CCCCC2)s1 ZINC000159768568 534887872 /nfs/dbraw/zinc/88/78/72/534887872.db2.gz VQADGSPMUNWARR-UHFFFAOYSA-N 1 0 309.479 3.041 20 70 DGIDRO Cc1nc2ccccn2c1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000160379479 527176689 /nfs/dbraw/zinc/17/66/89/527176689.db2.gz UYLHPMZUPJLJLY-GOSISDBHSA-N 1 0 321.424 3.125 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000159821326 529030609 /nfs/dbraw/zinc/03/06/09/529030609.db2.gz WBSCEYBCODJBFI-GOSISDBHSA-N 1 0 315.461 3.265 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ccccc2C)C(C)C)CC1 ZINC000159853864 529031761 /nfs/dbraw/zinc/03/17/61/529031761.db2.gz LXFXPEAEERDOHF-SFHVURJKSA-N 1 0 317.477 3.429 20 70 DGIDRO C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000159445132 546053749 /nfs/dbraw/zinc/05/37/49/546053749.db2.gz FVRUZWGFCWKFKW-LLVKDONJSA-N 1 0 306.793 3.095 20 70 DGIDRO Cc1nccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)c1Cl ZINC000159577042 546055408 /nfs/dbraw/zinc/05/54/08/546055408.db2.gz WFQKPTDSSYVJQG-LLVKDONJSA-N 1 0 310.829 3.039 20 70 DGIDRO CN(Cc1cc(Cl)ccc1OC(F)F)[C@H](C[NH3+])C1CC1 ZINC000159995035 546057116 /nfs/dbraw/zinc/05/71/16/546057116.db2.gz WKBYDIISPNFCBI-GFCCVEGCSA-N 1 0 304.768 3.111 20 70 DGIDRO CCn1nccc1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000159918252 546057143 /nfs/dbraw/zinc/05/71/43/546057143.db2.gz HATBHFNRIFTETE-UHFFFAOYSA-N 1 0 313.323 3.134 20 70 DGIDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1 ZINC000160190031 546059157 /nfs/dbraw/zinc/05/91/57/546059157.db2.gz HTMZFZSFLVJWHP-SUMWQHHRSA-N 1 0 304.409 3.410 20 70 DGIDRO CCc1ccc(C(C)(C)CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000160868445 546062564 /nfs/dbraw/zinc/06/25/64/546062564.db2.gz NUTPYRWFUGGJBJ-UHFFFAOYSA-N 1 0 300.402 3.008 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000160972556 546063228 /nfs/dbraw/zinc/06/32/28/546063228.db2.gz PPQUUWJGNGQKIJ-QZTJIDSGSA-N 1 0 308.425 3.205 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000161133579 546066327 /nfs/dbraw/zinc/06/63/27/546066327.db2.gz DNZDAQPGCAIQLO-NWDGAFQWSA-N 1 0 302.349 3.085 20 70 DGIDRO C[C@@H]1C[C@H]1[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000161296115 546066930 /nfs/dbraw/zinc/06/69/30/546066930.db2.gz LEZRBRYTJCRJQU-DJSGYFEHSA-N 1 0 306.837 3.425 20 70 DGIDRO COc1ccc(-c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000161264057 546067456 /nfs/dbraw/zinc/06/74/56/546067456.db2.gz WGJFAAFJJOJPSH-MOPGFXCFSA-N 1 0 324.424 3.106 20 70 DGIDRO c1nc(CN2CCN(c3cc[nH+]cc3)CC2)oc1-c1ccccc1 ZINC000161339357 546068534 /nfs/dbraw/zinc/06/85/34/546068534.db2.gz LFOGACQYEFZLBU-UHFFFAOYSA-N 1 0 320.396 3.059 20 70 DGIDRO CC(C)CNC(=O)[C@@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000217578022 575908884 /nfs/dbraw/zinc/90/88/84/575908884.db2.gz KIWKJQIFXFAXIV-MRXNPFEDSA-N 1 0 302.462 3.249 20 70 DGIDRO CCCOc1cccc(C[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000218153880 627104215 /nfs/dbraw/zinc/10/42/15/627104215.db2.gz GJHOMYMFJHKZSV-UHFFFAOYSA-N 1 0 308.422 3.090 20 70 DGIDRO Cc1cccc(C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC000218191288 627104756 /nfs/dbraw/zinc/10/47/56/627104756.db2.gz UUYLZUBMBNFYGB-UHFFFAOYSA-N 1 0 304.434 3.484 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000159552553 186126755 /nfs/dbraw/zinc/12/67/55/186126755.db2.gz MEAPGHDGGSNAEQ-CQSZACIVSA-N 1 0 315.417 3.231 20 70 DGIDRO C[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(F)cc1Cl ZINC000159626093 186131595 /nfs/dbraw/zinc/13/15/95/186131595.db2.gz IYTQYNKZFOHXFJ-BVDPADPGSA-N 1 0 310.800 3.030 20 70 DGIDRO O=C(/C=C/c1ccc(Cl)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159733639 186138030 /nfs/dbraw/zinc/13/80/30/186138030.db2.gz GSLQKYLSGOKTOV-VMPITWQZSA-N 1 0 318.848 3.344 20 70 DGIDRO [NH3+][C@@H](C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000159810908 283544116 /nfs/dbraw/zinc/54/41/16/283544116.db2.gz RSJLPERJMTVYEW-NVXWUHKLSA-N 1 0 314.816 3.356 20 70 DGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000161106849 299421961 /nfs/dbraw/zinc/42/19/61/299421961.db2.gz HQAJJISYTXWBFD-BPUTZDHNSA-N 1 0 307.457 3.415 20 70 DGIDRO C[C@@H]([NH2+]C1CCN(C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000161476833 197497009 /nfs/dbraw/zinc/49/70/09/197497009.db2.gz GCQINBYRYCEVBO-CHWSQXEVSA-N 1 0 303.475 3.472 20 70 DGIDRO C[C@@]1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC[NH2+]C1 ZINC000161334357 197486715 /nfs/dbraw/zinc/48/67/15/197486715.db2.gz CRABXUSPRKQAPW-QGZVFWFLSA-N 1 0 306.381 3.085 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000161159477 197470737 /nfs/dbraw/zinc/47/07/37/197470737.db2.gz JTVIBEZTWJPJLF-AWEZNQCLSA-N 1 0 318.417 3.378 20 70 DGIDRO O=C(Nc1cccnc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160822406 197441848 /nfs/dbraw/zinc/44/18/48/197441848.db2.gz DHRFLGMSFHIBKE-UHFFFAOYSA-N 1 0 316.449 3.202 20 70 DGIDRO Cc1cccc([C@H]2CCCN2C(=O)CC2CC[NH2+]CC2)c1C ZINC000160721847 197434361 /nfs/dbraw/zinc/43/43/61/197434361.db2.gz FGCQLOZDFYMJLK-GOSISDBHSA-N 1 0 300.446 3.357 20 70 DGIDRO Cc1cccc(-c2cncc(C(=O)N3CC[C@H](C[NH+](C)C)C3)c2)c1 ZINC000160677881 197431451 /nfs/dbraw/zinc/43/14/51/197431451.db2.gz ZNPSUMCWADNEOE-MRXNPFEDSA-N 1 0 323.440 3.081 20 70 DGIDRO C[NH2+][C@H]1CCN(C(=O)Cc2coc3cc(C)c(C(C)C)cc23)C1 ZINC000160474752 197414234 /nfs/dbraw/zinc/41/42/34/197414234.db2.gz ZRELQRRJFDDAIT-HNNXBMFYSA-N 1 0 314.429 3.227 20 70 DGIDRO CC[C@@H](CC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(C)cc1 ZINC000160276895 197397630 /nfs/dbraw/zinc/39/76/30/197397630.db2.gz BBOIRNHRGCAFMA-IRXDYDNUSA-N 1 0 302.462 3.289 20 70 DGIDRO C[NH+](C)CCCC1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000160173220 197390693 /nfs/dbraw/zinc/39/06/93/197390693.db2.gz JEOLUWAUDIJICT-UHFFFAOYSA-N 1 0 310.511 3.394 20 70 DGIDRO C[C@@H]1CCC[C@](CNc2nnc(C(F)(F)F)s2)([NH+](C)C)C1 ZINC000160162146 197389799 /nfs/dbraw/zinc/38/97/99/197389799.db2.gz XJPAUSQSQFBLFF-SKDRFNHKSA-N 1 0 322.400 3.479 20 70 DGIDRO Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCC(C)(C)[NH3+])c2c1 ZINC000160053935 197382630 /nfs/dbraw/zinc/38/26/30/197382630.db2.gz ALYDHDQDBRPESM-UHFFFAOYSA-N 1 0 311.429 3.196 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000160127400 197387876 /nfs/dbraw/zinc/38/78/76/197387876.db2.gz RAFGOIOJKBGELL-CABCVRRESA-N 1 0 308.466 3.223 20 70 DGIDRO COCc1cc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000159974217 197378014 /nfs/dbraw/zinc/37/80/14/197378014.db2.gz HCCHTUNVWCPENM-CZUORRHYSA-N 1 0 307.434 3.450 20 70 DGIDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000159967217 197377143 /nfs/dbraw/zinc/37/71/43/197377143.db2.gz MLEJRTCADIWRFP-TZMCWYRMSA-N 1 0 323.433 3.321 20 70 DGIDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000159955165 197376248 /nfs/dbraw/zinc/37/62/48/197376248.db2.gz DCXVBSSKCZPVED-DZGCQCFKSA-N 1 0 307.434 3.182 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCO1 ZINC000159955873 197375638 /nfs/dbraw/zinc/37/56/38/197375638.db2.gz XHDVYWZMFNJVHZ-IBGZPJMESA-N 1 0 316.489 3.241 20 70 DGIDRO COc1ccc(C[N@H+](C)Cc2ccc(-n3cncn3)c(C)c2)cc1 ZINC000159850180 197369172 /nfs/dbraw/zinc/36/91/72/197369172.db2.gz DHOYWOYWXAIARE-UHFFFAOYSA-N 1 0 322.412 3.216 20 70 DGIDRO CCN(CC[NH2+][C@@H](C)c1cnc(C)nc1C)C(=O)OC(C)(C)C ZINC000159458064 197355066 /nfs/dbraw/zinc/35/50/66/197355066.db2.gz MGGRPCFJSUEEMJ-LBPRGKRZSA-N 1 0 322.453 3.001 20 70 DGIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc3oc(C)nc3c2)C1 ZINC000159462018 197354828 /nfs/dbraw/zinc/35/48/28/197354828.db2.gz XBUZVQPOZDPPBA-CQSZACIVSA-N 1 0 316.405 3.084 20 70 DGIDRO CSc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1F ZINC000159422421 197352554 /nfs/dbraw/zinc/35/25/54/197352554.db2.gz IDDQYHQLOIKEGS-GFCCVEGCSA-N 1 0 310.438 3.009 20 70 DGIDRO C[C@H](CNC(=O)C[C@H](C)c1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000159372455 197349043 /nfs/dbraw/zinc/34/90/43/197349043.db2.gz RSOAMYPEFWVFNS-KGLIPLIRSA-N 1 0 324.415 3.307 20 70 DGIDRO CC[C@@H](CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C)cc1 ZINC000159490317 400730179 /nfs/dbraw/zinc/73/01/79/400730179.db2.gz YGJYLGOMRZKIPQ-PKOBYXMFSA-N 1 0 314.473 3.479 20 70 DGIDRO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000159558342 400730212 /nfs/dbraw/zinc/73/02/12/400730212.db2.gz HLIGXPBNZZQFMD-SFHVURJKSA-N 1 0 302.462 3.054 20 70 DGIDRO CC[C@H]([NH2+]CCn1c2ccccc2oc1=O)c1ccc(F)cc1 ZINC000160895452 400736598 /nfs/dbraw/zinc/73/65/98/400736598.db2.gz ZLLWFFFELWHMPU-HNNXBMFYSA-N 1 0 314.360 3.475 20 70 DGIDRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000161194013 274229480 /nfs/dbraw/zinc/22/94/80/274229480.db2.gz WZPAXYQFZFLYER-KBPBESRZSA-N 1 0 308.491 3.201 20 70 DGIDRO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160079265 276025334 /nfs/dbraw/zinc/02/53/34/276025334.db2.gz UUQUDVFIMOPBEE-CZUORRHYSA-N 1 0 308.853 3.495 20 70 DGIDRO CC(C)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cn1 ZINC000160992387 276050443 /nfs/dbraw/zinc/05/04/43/276050443.db2.gz VJFQVDPOMMBDSF-OAHLLOKOSA-N 1 0 317.458 3.299 20 70 DGIDRO Cc1[nH+]c2ccccc2c(N2CCC(n3ccnn3)CC2)c1C ZINC000160205220 282072903 /nfs/dbraw/zinc/07/29/03/282072903.db2.gz RLOAOKOPJPKFMR-UHFFFAOYSA-N 1 0 307.401 3.285 20 70 DGIDRO Brc1cccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000217266519 432653947 /nfs/dbraw/zinc/65/39/47/432653947.db2.gz ZAQNZRKPHDFDDA-OAHLLOKOSA-N 1 0 309.251 3.025 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(OC(F)(F)F)cc1 ZINC000217391909 432654383 /nfs/dbraw/zinc/65/43/83/432654383.db2.gz QBONSOYFNXDLEY-GFCCVEGCSA-N 1 0 304.356 3.405 20 70 DGIDRO C[C@@H]1SCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@H]1C ZINC000159751365 432695687 /nfs/dbraw/zinc/69/56/87/432695687.db2.gz UIPQTHQTEFNOME-KBPBESRZSA-N 1 0 312.523 3.097 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](CC)[C@H]2CCOC2)c1 ZINC000159922933 432700568 /nfs/dbraw/zinc/70/05/68/432700568.db2.gz HHVUOYGHNJKCST-RDJZCZTQSA-N 1 0 304.434 3.330 20 70 DGIDRO CCN(CC)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159998364 432702881 /nfs/dbraw/zinc/70/28/81/432702881.db2.gz VXARNEANPQTFMV-AEFFLSMTSA-N 1 0 317.477 3.433 20 70 DGIDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc2c(c1)OCCCO2 ZINC000159958617 432702959 /nfs/dbraw/zinc/70/29/59/432702959.db2.gz YWIBDDJSQKSDRW-DZGCQCFKSA-N 1 0 305.418 3.456 20 70 DGIDRO CCC(C)(C)NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160291587 432713480 /nfs/dbraw/zinc/71/34/80/432713480.db2.gz FPUYKMVCEUYKQI-GDBMZVCRSA-N 1 0 303.450 3.137 20 70 DGIDRO CCC(C)(C)NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160291463 432714413 /nfs/dbraw/zinc/71/44/13/432714413.db2.gz FPUYKMVCEUYKQI-HOCLYGCPSA-N 1 0 303.450 3.137 20 70 DGIDRO CC[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)Oc1ccccc1F ZINC000160338773 432715915 /nfs/dbraw/zinc/71/59/15/432715915.db2.gz YODPGMGJHRKPTC-BBRMVZONSA-N 1 0 317.408 3.384 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1oc3ccccc3c1C)CC2 ZINC000160381697 432716942 /nfs/dbraw/zinc/71/69/42/432716942.db2.gz FPLJPYSTOVBEOU-OCCSQVGLSA-N 1 0 310.401 3.307 20 70 DGIDRO Fc1nc(F)c(F)c(N2CCC[C@H]2C[NH+]2CCCCC2)c1F ZINC000160457208 432720342 /nfs/dbraw/zinc/72/03/42/432720342.db2.gz UFWWIWGANDAQJH-JTQLQIEISA-N 1 0 317.330 3.093 20 70 DGIDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(Cl)c1OC ZINC000160454280 432720358 /nfs/dbraw/zinc/72/03/58/432720358.db2.gz YOMKKXFZFSRMJN-GFCCVEGCSA-N 1 0 313.825 3.404 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCO1 ZINC000160496323 432722878 /nfs/dbraw/zinc/72/28/78/432722878.db2.gz FIFYCNSXIGUDEP-HNNXBMFYSA-N 1 0 303.381 3.059 20 70 DGIDRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000160517031 432724397 /nfs/dbraw/zinc/72/43/97/432724397.db2.gz SACHGISGRJIGJJ-LBPRGKRZSA-N 1 0 317.351 3.489 20 70 DGIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)o1 ZINC000160501120 432725419 /nfs/dbraw/zinc/72/54/19/432725419.db2.gz NDVBKQXFJGFKRY-INIZCTEOSA-N 1 0 314.429 3.271 20 70 DGIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1cn2ccccc2n1 ZINC000159362241 432680135 /nfs/dbraw/zinc/68/01/35/432680135.db2.gz MNLXSQBJWGSFGF-UHFFFAOYSA-N 1 0 322.456 3.335 20 70 DGIDRO C[NH+](C)CCN(C(=O)N[C@@H]1CCc2ccccc21)C1CCCC1 ZINC000159509712 432685035 /nfs/dbraw/zinc/68/50/35/432685035.db2.gz JZQVOSWTTBDMGX-GOSISDBHSA-N 1 0 315.461 3.190 20 70 DGIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159547467 432686550 /nfs/dbraw/zinc/68/65/50/432686550.db2.gz FPKQSBWKIYSDJS-DGCLKSJQSA-N 1 0 304.459 3.463 20 70 DGIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000159543646 432686957 /nfs/dbraw/zinc/68/69/57/432686957.db2.gz AQDGZCYXCRJLGY-HOCLYGCPSA-N 1 0 316.445 3.094 20 70 DGIDRO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCCSC1)CC2 ZINC000159637966 432690508 /nfs/dbraw/zinc/69/05/08/432690508.db2.gz UGYMSZPXZHZLJK-FVRSWCFKSA-N 1 0 316.470 3.304 20 70 DGIDRO CS[C@H](C)CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000160881484 432748028 /nfs/dbraw/zinc/74/80/28/432748028.db2.gz KOXQFSFJMZPJEN-MELADBBJSA-N 1 0 300.512 3.001 20 70 DGIDRO COc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)c2ccccc12 ZINC000160929494 432749116 /nfs/dbraw/zinc/74/91/16/432749116.db2.gz WNFUOMSYCUTYRP-ZDUSSCGKSA-N 1 0 300.402 3.024 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000160999704 432752755 /nfs/dbraw/zinc/75/27/55/432752755.db2.gz MOZMSTIQEGYJLZ-UHFFFAOYSA-N 1 0 300.446 3.027 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000160972934 432753239 /nfs/dbraw/zinc/75/32/39/432753239.db2.gz ORMMYLDQHUYUKF-IBGZPJMESA-N 1 0 310.441 3.475 20 70 DGIDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(-n2cnnn2)cc1 ZINC000160999610 432753246 /nfs/dbraw/zinc/75/32/46/432753246.db2.gz RUFZUJQSEPRCMW-RHSMWYFYSA-N 1 0 319.412 3.043 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H](C)c2cccc(F)c2)CC1 ZINC000161053929 432756312 /nfs/dbraw/zinc/75/63/12/432756312.db2.gz GBAWSNOCFBFCSV-CQSZACIVSA-N 1 0 306.425 3.167 20 70 DGIDRO Cc1ccc([C@H](C)C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000161049811 432756872 /nfs/dbraw/zinc/75/68/72/432756872.db2.gz WYPKAUMNHSJAFI-DYVFJYSZSA-N 1 0 300.377 3.054 20 70 DGIDRO COc1ccc(COCCC[NH2+][C@H](C)c2cncs2)cc1 ZINC000161072258 432757280 /nfs/dbraw/zinc/75/72/80/432757280.db2.gz RTZMCOKQYWHRJI-CYBMUJFWSA-N 1 0 306.431 3.409 20 70 DGIDRO CCn1cc([C@@H](C)[NH2+]CCCOCc2ccc(OC)cc2)cn1 ZINC000161086713 432758283 /nfs/dbraw/zinc/75/82/83/432758283.db2.gz CKXRLMGCMWDQJG-OAHLLOKOSA-N 1 0 317.433 3.169 20 70 DGIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000161136577 432760879 /nfs/dbraw/zinc/76/08/79/432760879.db2.gz KRLDAONZDXGZIJ-MRXNPFEDSA-N 1 0 322.474 3.165 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1oc2c(cccc2Cl)c1C ZINC000161214477 432767257 /nfs/dbraw/zinc/76/72/57/432767257.db2.gz DZCGKNIFSNITRZ-LLVKDONJSA-N 1 0 306.793 3.219 20 70 DGIDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)CN1C1CC1 ZINC000161266927 432769441 /nfs/dbraw/zinc/76/94/41/432769441.db2.gz UYYJIBIUNAESQS-RVSPLBMKSA-N 1 0 304.409 3.254 20 70 DGIDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)CN1C1CC1 ZINC000161266796 432769516 /nfs/dbraw/zinc/76/95/16/432769516.db2.gz UYYJIBIUNAESQS-HACGYAERSA-N 1 0 304.409 3.254 20 70 DGIDRO CC[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc(F)cc1 ZINC000161264532 432770411 /nfs/dbraw/zinc/77/04/11/432770411.db2.gz GJCNVSYMMXTNIV-NJAFHUGGSA-N 1 0 318.436 3.262 20 70 DGIDRO Cc1nccn1CCCC[N@@H+](C)CCOc1ccccc1F ZINC000161318152 432772912 /nfs/dbraw/zinc/77/29/12/432772912.db2.gz MKCQBBVHFRDTPW-UHFFFAOYSA-N 1 0 305.397 3.122 20 70 DGIDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC1(C)C ZINC000161348141 432774246 /nfs/dbraw/zinc/77/42/46/432774246.db2.gz GRECMTDFPABTOB-PVAVHDDUSA-N 1 0 300.446 3.059 20 70 DGIDRO CC[C@@H](CSC)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161400970 432776546 /nfs/dbraw/zinc/77/65/46/432776546.db2.gz IJHOJIVIMKETAJ-HNNXBMFYSA-N 1 0 314.539 3.345 20 70 DGIDRO CC(=O)NC1CCC([NH2+][C@H](COCC(C)C)c2ccco2)CC1 ZINC000161393921 432776959 /nfs/dbraw/zinc/77/69/59/432776959.db2.gz QLLPWLQWNLXJMC-OFLPRAFFSA-N 1 0 322.449 3.030 20 70 DGIDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000161416434 432778226 /nfs/dbraw/zinc/77/82/26/432778226.db2.gz LKYTYNCPWLHUOR-LBPRGKRZSA-N 1 0 315.417 3.004 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCCS3)CC2)CC1 ZINC000161451559 432779608 /nfs/dbraw/zinc/77/96/08/432779608.db2.gz BKADPDTYQTXQDH-UYSNPLJNSA-N 1 0 310.507 3.041 20 70 DGIDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161455812 432779904 /nfs/dbraw/zinc/77/99/04/432779904.db2.gz BICIRHGXEOTJQW-ZENOOKHLSA-N 1 0 308.853 3.433 20 70 DGIDRO COC(=O)[C@H](C)[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000161439921 432779946 /nfs/dbraw/zinc/77/99/46/432779946.db2.gz UNUUZIWSYYEIOE-SJLPKXTDSA-N 1 0 318.461 3.002 20 70 DGIDRO C[C@@H](CC(=O)N1CCSC2(CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000161451137 432779990 /nfs/dbraw/zinc/77/99/90/432779990.db2.gz ZUHJVKZLUWZBCX-HOTGVXAUSA-N 1 0 324.534 3.291 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000161469319 432780965 /nfs/dbraw/zinc/78/09/65/432780965.db2.gz YNPDTBGMTOFVCI-FOIPXRHGSA-N 1 0 304.478 3.192 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)C[C@H]3CCCCO3)CC2)CC1 ZINC000161469543 432781324 /nfs/dbraw/zinc/78/13/24/432781324.db2.gz OVCQZNQYNZTHOY-DAWZGUTISA-N 1 0 322.493 3.105 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)on1 ZINC000160547882 432726862 /nfs/dbraw/zinc/72/68/62/432726862.db2.gz WMTVEKHJRRBPCT-MELADBBJSA-N 1 0 307.438 3.038 20 70 DGIDRO CC(C)c1csc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000160580558 432729556 /nfs/dbraw/zinc/72/95/56/432729556.db2.gz FKALTTPXFZXBFV-UPJWGTAASA-N 1 0 309.479 3.144 20 70 DGIDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160604995 432730042 /nfs/dbraw/zinc/73/00/42/432730042.db2.gz XPXMJBQRKXZACV-IIAWOOMASA-N 1 0 321.534 3.273 20 70 DGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000160631159 432731897 /nfs/dbraw/zinc/73/18/97/432731897.db2.gz IEVQMEURGLMFCT-INIZCTEOSA-N 1 0 318.461 3.262 20 70 DGIDRO C[NH+](C)CCN(C(=O)N[C@H]1CCCc2occc21)C1CCCC1 ZINC000160671228 432734095 /nfs/dbraw/zinc/73/40/95/432734095.db2.gz MEISLZQSSKLLQU-INIZCTEOSA-N 1 0 319.449 3.173 20 70 DGIDRO CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(F)cc1F ZINC000160658473 432734745 /nfs/dbraw/zinc/73/47/45/432734745.db2.gz MTGLROGCBCHBSI-INIZCTEOSA-N 1 0 312.404 3.116 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000160801676 432741737 /nfs/dbraw/zinc/74/17/37/432741737.db2.gz UHAXTSPPRQTQEY-VXGBXAGGSA-N 1 0 300.324 3.247 20 70 DGIDRO CC1=C(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CCCO1 ZINC000161505691 432783981 /nfs/dbraw/zinc/78/39/81/432783981.db2.gz YQPGWWONHCTCIY-UHFFFAOYSA-N 1 0 320.477 3.230 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](CC)[C@@H]2CCOC2)c1 ZINC000159922788 292803704 /nfs/dbraw/zinc/80/37/04/292803704.db2.gz HHVUOYGHNJKCST-NVXWUHKLSA-N 1 0 304.434 3.330 20 70 DGIDRO CCOc1c(C[NH2+][C@H]2CCOC(C)(C)C2)c(C)nn1CC(C)C ZINC000160452788 292814794 /nfs/dbraw/zinc/81/47/94/292814794.db2.gz DPWQSSAQWSZTRM-HNNXBMFYSA-N 1 0 323.481 3.293 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@H](CCc1ccc(Cl)cc1)C(C)C ZINC000160984996 292825290 /nfs/dbraw/zinc/82/52/90/292825290.db2.gz JCIRVUKYCZRQHC-MRXNPFEDSA-N 1 0 310.869 3.411 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1 ZINC000161057805 292827279 /nfs/dbraw/zinc/82/72/79/292827279.db2.gz NNFPAPSIKZGGLI-MDZDMXLPSA-N 1 0 323.440 3.096 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000161183206 292830925 /nfs/dbraw/zinc/83/09/25/292830925.db2.gz NJOFLSZPPYEHKL-WMLDXEAASA-N 1 0 306.475 3.080 20 70 DGIDRO O[C@H](C1CC[NH+](Cc2cccc3cccnc32)CC1)C(F)(F)F ZINC000161221277 292831601 /nfs/dbraw/zinc/83/16/01/292831601.db2.gz VPNCDBGMOZSRNY-MRXNPFEDSA-N 1 0 324.346 3.370 20 70 DGIDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000161292752 292832724 /nfs/dbraw/zinc/83/27/24/292832724.db2.gz SCOVOFPIBLQGEZ-ARFHVFGLSA-N 1 0 304.478 3.336 20 70 DGIDRO C[C@@H]1CC[C@@H](C)N1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000161398973 292834458 /nfs/dbraw/zinc/83/44/58/292834458.db2.gz RBYGVIYVOVJCLE-NUJGCVRESA-N 1 0 315.461 3.406 20 70 DGIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)cc(Cl)c1OC ZINC000160568108 533907319 /nfs/dbraw/zinc/90/73/19/533907319.db2.gz ACVYIXCFIPPHSV-LBPRGKRZSA-N 1 0 313.825 3.404 20 70 DGIDRO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000161481599 534192148 /nfs/dbraw/zinc/19/21/48/534192148.db2.gz PGBPNAXFQFPSSC-DOTOQJQBSA-N 1 0 320.502 3.109 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCCCc2ccccc2)CC1 ZINC000161415514 519645240 /nfs/dbraw/zinc/64/52/40/519645240.db2.gz FKEUFEKMOVBUEH-UHFFFAOYSA-N 1 0 302.462 3.436 20 70 DGIDRO COc1cc(C(=O)NCC[NH2+]C2CCCCCC2)ccc1C ZINC000159619597 522111324 /nfs/dbraw/zinc/11/13/24/522111324.db2.gz YINVNTJHJLQDSK-UHFFFAOYSA-N 1 0 304.434 3.046 20 70 DGIDRO Cn1cc(C[N@H+](C)Cc2cccc(F)c2)c(-c2ccncc2)n1 ZINC000160469449 523489697 /nfs/dbraw/zinc/48/96/97/523489697.db2.gz KNMRLGAYOJGPIB-UHFFFAOYSA-N 1 0 310.376 3.253 20 70 DGIDRO C[C@@H](CC(=O)NCC(C)(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000159487964 524366931 /nfs/dbraw/zinc/36/69/31/524366931.db2.gz DHNZSKKWEXXSSJ-WMZOPIPTSA-N 1 0 316.489 3.397 20 70 DGIDRO CSCCCCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000159949944 525401370 /nfs/dbraw/zinc/40/13/70/525401370.db2.gz NAPJSLONUBKDFZ-UHFFFAOYSA-N 1 0 300.512 3.148 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000160411873 525641769 /nfs/dbraw/zinc/64/17/69/525641769.db2.gz OASULHXOQSDAPU-CMPLNLGQSA-N 1 0 323.380 3.350 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000160357531 525700808 /nfs/dbraw/zinc/70/08/08/525700808.db2.gz RHOQOBJPGKMULH-PWSUYJOCSA-N 1 0 305.390 3.053 20 70 DGIDRO CSC[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160305946 525714661 /nfs/dbraw/zinc/71/46/61/525714661.db2.gz ZMZSUNPNABRRJZ-OAHLLOKOSA-N 1 0 312.523 3.099 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000159851765 529029127 /nfs/dbraw/zinc/02/91/27/529029127.db2.gz NVYTZKXCJUYIIP-QZTJIDSGSA-N 1 0 315.461 3.060 20 70 DGIDRO Cc1nccc(NC(=O)NCCC[NH+]2CCC(C)CC2)c1Cl ZINC000159430493 546053193 /nfs/dbraw/zinc/05/31/93/546053193.db2.gz CHMNTGMRYAIUQB-UHFFFAOYSA-N 1 0 324.856 3.287 20 70 DGIDRO C[C@H]1SCCN(C(=O)c2ccc(C[NH3+])o2)[C@H]1c1ccccc1 ZINC000159680399 546055503 /nfs/dbraw/zinc/05/55/03/546055503.db2.gz YPYAXSIWTFCXMK-MLGOLLRUSA-N 1 0 316.426 3.057 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000159820698 546056483 /nfs/dbraw/zinc/05/64/83/546056483.db2.gz KIAAQTRSNVQFGD-NVXWUHKLSA-N 1 0 300.446 3.437 20 70 DGIDRO NC(=O)CC1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000159813128 546056665 /nfs/dbraw/zinc/05/66/65/546056665.db2.gz HJBKTDJJRLCGHF-UHFFFAOYSA-N 1 0 308.425 3.441 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1 ZINC000160190326 546059180 /nfs/dbraw/zinc/05/91/80/546059180.db2.gz HTMZFZSFLVJWHP-GUYCJALGSA-N 1 0 304.409 3.410 20 70 DGIDRO CCN(C(=O)NCCC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160442692 546060351 /nfs/dbraw/zinc/06/03/51/546060351.db2.gz AYYKZZXHAXJGJP-GOSISDBHSA-N 1 0 315.461 3.093 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccccc2Nc2ccccc2)C1 ZINC000160964762 546063278 /nfs/dbraw/zinc/06/32/78/546063278.db2.gz NEDHXDDTIAUQHK-ZBFHGGJFSA-N 1 0 309.413 3.430 20 70 DGIDRO Cc1c2cc(F)ccc2sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161063823 546064378 /nfs/dbraw/zinc/06/43/78/546064378.db2.gz GBDHFDNCLAGEQK-RYUDHWBXSA-N 1 0 306.406 3.349 20 70 DGIDRO Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161010199 546064607 /nfs/dbraw/zinc/06/46/07/546064607.db2.gz IMXYYVDPWVRYMC-CVEARBPZSA-N 1 0 309.413 3.057 20 70 DGIDRO Cc1csc(-c2cccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000161410450 546069360 /nfs/dbraw/zinc/06/93/60/546069360.db2.gz YJVXPFGEOUOUNK-HUUCEWRRSA-N 1 0 315.442 3.118 20 70 DGIDRO Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000161429745 546069502 /nfs/dbraw/zinc/06/95/02/546069502.db2.gz PAHJSGUVRQJMIM-INIZCTEOSA-N 1 0 324.428 3.128 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000161484013 546069646 /nfs/dbraw/zinc/06/96/46/546069646.db2.gz XTQAJBXIXHJLRC-IAGOWNOFSA-N 1 0 318.436 3.414 20 70 DGIDRO CC(C)[N@H+](CCCCS(C)(=O)=O)Cc1cccc(Cl)c1 ZINC000161466978 546069668 /nfs/dbraw/zinc/06/96/68/546069668.db2.gz LPZYXEVVJZNWEQ-UHFFFAOYSA-N 1 0 317.882 3.375 20 70 DGIDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000216641432 575273474 /nfs/dbraw/zinc/27/34/74/575273474.db2.gz MMFGQDFWGQXFLQ-WMLDXEAASA-N 1 0 310.869 3.347 20 70 DGIDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000216641502 575273502 /nfs/dbraw/zinc/27/35/02/575273502.db2.gz UYVXXNVWCMTTCB-YOEHRIQHSA-N 1 0 310.869 3.347 20 70 DGIDRO CCn1cc(C(=O)OCC[NH+]2CCCCC2)c2ccccc21 ZINC000216636842 626987702 /nfs/dbraw/zinc/98/77/02/626987702.db2.gz YPXASJPGKXFQLQ-UHFFFAOYSA-N 1 0 300.402 3.304 20 70 DGIDRO Cc1c([C@H](C)[NH2+]CCC(C)(C)O)cnn1-c1ccc(F)cc1 ZINC000159571872 186127822 /nfs/dbraw/zinc/12/78/22/186127822.db2.gz ZCOTZGVXVMBZBG-LBPRGKRZSA-N 1 0 305.397 3.131 20 70 DGIDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000159752449 186139901 /nfs/dbraw/zinc/13/99/01/186139901.db2.gz DPIQDYWMIHGHLY-NSHDSACASA-N 1 0 313.323 3.212 20 70 DGIDRO COc1ccc2cc([C@@H](C)[NH2+]CCc3cnn(C)c3)ccc2c1 ZINC000159755448 186140092 /nfs/dbraw/zinc/14/00/92/186140092.db2.gz FAECVGIKJHZBKR-CQSZACIVSA-N 1 0 309.413 3.475 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 ZINC000161020399 197457068 /nfs/dbraw/zinc/45/70/68/197457068.db2.gz BDHVFQNYMVVPEN-ZDUSSCGKSA-N 1 0 320.502 3.335 20 70 DGIDRO [NH3+]CCCCCCC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000160677425 197431492 /nfs/dbraw/zinc/43/14/92/197431492.db2.gz XBTXNOMNSOTZMK-UHFFFAOYSA-N 1 0 308.397 3.462 20 70 DGIDRO Cn1c(C[NH2+][C@@H]2CCOC(C)(C)C2)nc2cc(Cl)ccc21 ZINC000160564066 197422741 /nfs/dbraw/zinc/42/27/41/197422741.db2.gz FHFPLYLSPOELOP-GFCCVEGCSA-N 1 0 307.825 3.274 20 70 DGIDRO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000160452420 197412004 /nfs/dbraw/zinc/41/20/04/197412004.db2.gz ZPKSLZOJBTYWOB-OAHLLOKOSA-N 1 0 315.417 3.133 20 70 DGIDRO Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])c(F)c2)cc1 ZINC000160147639 197388976 /nfs/dbraw/zinc/38/89/76/197388976.db2.gz BEQBYZBRORBFJF-MRXNPFEDSA-N 1 0 312.388 3.364 20 70 DGIDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C)C1CC1 ZINC000160104571 197386635 /nfs/dbraw/zinc/38/66/35/197386635.db2.gz PIHQCWWORGHRDW-CHWSQXEVSA-N 1 0 308.853 3.465 20 70 DGIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(N(C)C)cc1F ZINC000160082678 197384550 /nfs/dbraw/zinc/38/45/50/197384550.db2.gz BDUSQVIMKFBSOV-AWEZNQCLSA-N 1 0 323.456 3.132 20 70 DGIDRO COc1ccc(C[C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000159893058 197372016 /nfs/dbraw/zinc/37/20/16/197372016.db2.gz YWKRGWUTEIZLNM-GUYCJALGSA-N 1 0 305.443 3.185 20 70 DGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1cncc(F)c1 ZINC000159871939 197370202 /nfs/dbraw/zinc/37/02/02/197370202.db2.gz PAQWXWRKKUFIIX-QWHCGFSZSA-N 1 0 319.449 3.380 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000159842582 197368616 /nfs/dbraw/zinc/36/86/16/197368616.db2.gz LKEMSKOXSVECSR-JKSUJKDBSA-N 1 0 320.502 3.398 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000159842193 197367837 /nfs/dbraw/zinc/36/78/37/197367837.db2.gz LKEMSKOXSVECSR-CVEARBPZSA-N 1 0 320.502 3.398 20 70 DGIDRO CCn1cc([C@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc3C2)cn1 ZINC000159816876 197366583 /nfs/dbraw/zinc/36/65/83/197366583.db2.gz HOWCXKWHLDJVHN-CVEARBPZSA-N 1 0 312.461 3.000 20 70 DGIDRO Brc1cccc(C[N@H+](CCn2ccnc2)C2CC2)c1 ZINC000159778377 197363156 /nfs/dbraw/zinc/36/31/56/197363156.db2.gz KCDZBZICQWKTDS-UHFFFAOYSA-N 1 0 320.234 3.310 20 70 DGIDRO Cc1cc(C)cc(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000159766305 197362961 /nfs/dbraw/zinc/36/29/61/197362961.db2.gz TUIURURAJQJWPU-OALUTQOASA-N 1 0 314.473 3.179 20 70 DGIDRO CCN(CC[NH2+][C@@H](C)c1cncc(F)c1)C(=O)OC(C)(C)C ZINC000159496353 197357854 /nfs/dbraw/zinc/35/78/54/197357854.db2.gz YDSTZAOKNFLQDR-LBPRGKRZSA-N 1 0 311.401 3.128 20 70 DGIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H](C)SC ZINC000159760416 197362485 /nfs/dbraw/zinc/36/24/85/197362485.db2.gz NLQSLQRIIIBALG-AWEZNQCLSA-N 1 0 324.490 3.487 20 70 DGIDRO Cc1cc(NC(=O)[C@H]2CCCC[NH2+]2)ccc1OCC(F)(F)F ZINC000159563394 197361828 /nfs/dbraw/zinc/36/18/28/197361828.db2.gz WXVXLTVDBUTCIC-GFCCVEGCSA-N 1 0 316.323 3.017 20 70 DGIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000161107259 197465629 /nfs/dbraw/zinc/46/56/29/197465629.db2.gz UGDJUHJZCPFPCB-LPHOPBHVSA-N 1 0 316.489 3.492 20 70 DGIDRO CC[N@H+](Cc1cnc2ccccn12)[C@H](COC)Cc1ccccc1 ZINC000160926918 285125708 /nfs/dbraw/zinc/12/57/08/285125708.db2.gz HHXUCMRMXHPKDU-SFHVURJKSA-N 1 0 323.440 3.414 20 70 DGIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC(C)(C)c1cccs1 ZINC000159996364 400732562 /nfs/dbraw/zinc/73/25/62/400732562.db2.gz IHQXSINREQMJIZ-CQSZACIVSA-N 1 0 323.506 3.007 20 70 DGIDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000160834101 400736815 /nfs/dbraw/zinc/73/68/15/400736815.db2.gz JVCHSYQWBRXOJK-MLGOLLRUSA-N 1 0 304.365 3.164 20 70 DGIDRO COc1cc(Cl)ccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000217194251 165376643 /nfs/dbraw/zinc/37/66/43/165376643.db2.gz PLMJNHNLMQRASB-ZDUSSCGKSA-N 1 0 324.852 3.229 20 70 DGIDRO CC1(C)C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccccc2O1 ZINC000161395122 276142515 /nfs/dbraw/zinc/14/25/15/276142515.db2.gz UUHPSNUNHYROAQ-MRXNPFEDSA-N 1 0 310.397 3.178 20 70 DGIDRO CCN(C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1nc(C)cs1 ZINC000160173912 276300248 /nfs/dbraw/zinc/30/02/48/276300248.db2.gz OSKWDGCYJZHQHT-JSGCOSHPSA-N 1 0 303.431 3.141 20 70 DGIDRO CC(C)(O)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000160611833 277317715 /nfs/dbraw/zinc/31/77/15/277317715.db2.gz IUKNCYORWBEUSJ-LBPRGKRZSA-N 1 0 314.223 3.023 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(OC(F)(F)F)cc1 ZINC000217391985 432653892 /nfs/dbraw/zinc/65/38/92/432653892.db2.gz QBONSOYFNXDLEY-LBPRGKRZSA-N 1 0 304.356 3.405 20 70 DGIDRO CCCCO[C@@H](C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000217134747 432655454 /nfs/dbraw/zinc/65/54/54/432655454.db2.gz RIUZOUAMVVCFKX-JKSUJKDBSA-N 1 0 312.498 3.208 20 70 DGIDRO CSC[C@](C)(O)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000217849250 432657135 /nfs/dbraw/zinc/65/71/35/432657135.db2.gz XETDEJSNKGBFOX-OAHLLOKOSA-N 1 0 308.472 3.014 20 70 DGIDRO Cc1ccc(C)c(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 ZINC000159691296 432692385 /nfs/dbraw/zinc/69/23/85/432692385.db2.gz IHJMWULGXUDNNY-OAHLLOKOSA-N 1 0 310.401 3.099 20 70 DGIDRO CCCCn1ncc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1C ZINC000159763921 432695156 /nfs/dbraw/zinc/69/51/56/432695156.db2.gz DRCAARHHIBJKJC-CQSZACIVSA-N 1 0 323.485 3.089 20 70 DGIDRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159853467 432699969 /nfs/dbraw/zinc/69/99/69/432699969.db2.gz YTWHAMXKTXKNFR-JSGCOSHPSA-N 1 0 303.324 3.178 20 70 DGIDRO C[NH+](C)Cc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1 ZINC000159938146 432701200 /nfs/dbraw/zinc/70/12/00/432701200.db2.gz FJVAZJFMSBOSKP-UHFFFAOYSA-N 1 0 322.368 3.051 20 70 DGIDRO CCCN(C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000159959760 432702652 /nfs/dbraw/zinc/70/26/52/432702652.db2.gz AFNNUTQBOQEDIA-YJBOKZPZSA-N 1 0 315.461 3.091 20 70 DGIDRO COc1ccc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)cc1Cl ZINC000159980525 432703428 /nfs/dbraw/zinc/70/34/28/432703428.db2.gz PUTJLGSPZWCFSG-GFCCVEGCSA-N 1 0 312.841 3.162 20 70 DGIDRO CC[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCOC1 ZINC000160023420 432704373 /nfs/dbraw/zinc/70/43/73/432704373.db2.gz FALQSGMRJSUYRE-GJZGRUSLSA-N 1 0 322.415 3.056 20 70 DGIDRO CC[C@@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[NH+](C)C ZINC000160094894 432706135 /nfs/dbraw/zinc/70/61/35/432706135.db2.gz CEQGTFODYHJXMB-OLZOCXBDSA-N 1 0 312.866 3.333 20 70 DGIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C1CCC(C)(C)CC1 ZINC000160113219 432706279 /nfs/dbraw/zinc/70/62/79/432706279.db2.gz JCRXKXYOKBRMEQ-UHFFFAOYSA-N 1 0 317.477 3.188 20 70 DGIDRO OCC1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCCC1 ZINC000160107130 432706819 /nfs/dbraw/zinc/70/68/19/432706819.db2.gz UYNRPSNFBRHFJR-UHFFFAOYSA-N 1 0 305.315 3.487 20 70 DGIDRO CC[C@@H](C)C[N@H+](CC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000160537142 432726300 /nfs/dbraw/zinc/72/63/00/432726300.db2.gz NBEFOTQUAJYQLZ-LLVKDONJSA-N 1 0 307.825 3.445 20 70 DGIDRO CC1(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000160325955 432713537 /nfs/dbraw/zinc/71/35/37/432713537.db2.gz DAKANJRGPNIBIK-CQSZACIVSA-N 1 0 321.490 3.202 20 70 DGIDRO Cc1cc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)oc1C ZINC000160283739 432714221 /nfs/dbraw/zinc/71/42/21/432714221.db2.gz XPCULYDGWUMARJ-UHFFFAOYSA-N 1 0 316.401 3.479 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1oc3ccccc3c1C)CC2 ZINC000160381423 432716857 /nfs/dbraw/zinc/71/68/57/432716857.db2.gz FPLJPYSTOVBEOU-TZMCWYRMSA-N 1 0 310.401 3.307 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1oc3ccccc3c1C)CC2 ZINC000160381562 432717575 /nfs/dbraw/zinc/71/75/75/432717575.db2.gz FPLJPYSTOVBEOU-GXTWGEPZSA-N 1 0 310.401 3.307 20 70 DGIDRO COCCOc1cccc(C[N@H+](C)Cc2ccccc2OC)c1 ZINC000160415217 432719514 /nfs/dbraw/zinc/71/95/14/432719514.db2.gz JONYEFGHICFFFV-UHFFFAOYSA-N 1 0 315.413 3.352 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160460134 432721962 /nfs/dbraw/zinc/72/19/62/432721962.db2.gz WFMKHELHZACFHJ-BZUAXINKSA-N 1 0 320.502 3.397 20 70 DGIDRO CCn1nc(C)c(C[N@H+](CCOC)Cc2ccccc2)c1C ZINC000160444288 432722075 /nfs/dbraw/zinc/72/20/75/432722075.db2.gz WTPOMPVTKUPWHF-UHFFFAOYSA-N 1 0 301.434 3.168 20 70 DGIDRO C[C@@H](CC(=O)NCCc1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000160489526 432722637 /nfs/dbraw/zinc/72/26/37/432722637.db2.gz SUBJPYBADUPJLW-AWEZNQCLSA-N 1 0 314.429 3.117 20 70 DGIDRO CC1CCN(Cc2csc(NC(=O)[C@@H]3CC3(C)C)n2)CC1 ZINC000160519675 432725503 /nfs/dbraw/zinc/72/55/03/432725503.db2.gz GLNRAOIMFGXGFX-ZDUSSCGKSA-N 1 0 307.463 3.360 20 70 DGIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cnc2ccccn12 ZINC000159405419 432681829 /nfs/dbraw/zinc/68/18/29/432681829.db2.gz ZIWONVRWHAPTIC-UHFFFAOYSA-N 1 0 322.456 3.335 20 70 DGIDRO [NH3+]C1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000159484474 432685145 /nfs/dbraw/zinc/68/51/45/432685145.db2.gz JUZOWIFTWAUCBT-UHFFFAOYSA-N 1 0 300.324 3.097 20 70 DGIDRO COc1cccc(C[N@H+](CCOCC2CC2)C[C@H]2CCCO2)c1 ZINC000159654573 432691401 /nfs/dbraw/zinc/69/14/01/432691401.db2.gz RLCAWWLFXPGQNH-LJQANCHMSA-N 1 0 319.445 3.103 20 70 DGIDRO C[C@H](C[NH2+][C@H](C)c1cncc(F)c1)N(C)Cc1ccccc1 ZINC000160882008 432747294 /nfs/dbraw/zinc/74/72/94/432747294.db2.gz VTJKOIFPDVZBBQ-HUUCEWRRSA-N 1 0 301.409 3.392 20 70 DGIDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1cncc(F)c1 ZINC000160881882 432747908 /nfs/dbraw/zinc/74/79/08/432747908.db2.gz VTJKOIFPDVZBBQ-LSDHHAIUSA-N 1 0 301.409 3.392 20 70 DGIDRO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000160966034 432750997 /nfs/dbraw/zinc/75/09/97/432750997.db2.gz GWESPBPAVOXXSU-NEPJUHHUSA-N 1 0 300.324 3.453 20 70 DGIDRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160946233 432751364 /nfs/dbraw/zinc/75/13/64/432751364.db2.gz UAZGBBZSJGTPSN-SQRWCISFSA-N 1 0 318.461 3.077 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000160973043 432752042 /nfs/dbraw/zinc/75/20/42/432752042.db2.gz ORMMYLDQHUYUKF-LJQANCHMSA-N 1 0 310.441 3.475 20 70 DGIDRO C[C@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CN1Cc1ccccc1 ZINC000160976770 432753057 /nfs/dbraw/zinc/75/30/57/432753057.db2.gz NIOMJDPBSYHAFK-IOMROCGXSA-N 1 0 324.468 3.363 20 70 DGIDRO CC(C)C[C@H]1CCCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000161050362 432756920 /nfs/dbraw/zinc/75/69/20/432756920.db2.gz CLJBIQFJEFXBCZ-SJLPKXTDSA-N 1 0 324.509 3.064 20 70 DGIDRO CC[C@@H]([NH2+]CCCOCc1ccc(OC)cc1)c1cnn(C)c1 ZINC000161062245 432758273 /nfs/dbraw/zinc/75/82/73/432758273.db2.gz FDODFVHBUWSXDW-GOSISDBHSA-N 1 0 317.433 3.076 20 70 DGIDRO O=C(C[NH2+]CC1CC1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000161074089 432758618 /nfs/dbraw/zinc/75/86/18/432758618.db2.gz YUAYASJRMMZGJL-HXUWFJFHSA-N 1 0 322.452 3.129 20 70 DGIDRO COc1cc(OC)c([C@@H](C)NC2CC[NH+](C)CC2)cc1Cl ZINC000161509729 432782423 /nfs/dbraw/zinc/78/24/23/432782423.db2.gz PZAOLFLIRQGPGK-LLVKDONJSA-N 1 0 312.841 3.102 20 70 DGIDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000161097254 432759572 /nfs/dbraw/zinc/75/95/72/432759572.db2.gz LFXMIWCPABBKLM-KZULUSFZSA-N 1 0 312.388 3.338 20 70 DGIDRO CCC(CC)c1cc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)on1 ZINC000161111794 432760284 /nfs/dbraw/zinc/76/02/84/432760284.db2.gz BWVNDNYEAUFIOJ-ZDUSSCGKSA-N 1 0 321.465 3.220 20 70 DGIDRO C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Sc1ccccc1 ZINC000161118681 432761585 /nfs/dbraw/zinc/76/15/85/432761585.db2.gz KAZQHNZXBLZCAA-HNSVSWJLSA-N 1 0 318.486 3.204 20 70 DGIDRO CCC(C)(C)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161183704 432765173 /nfs/dbraw/zinc/76/51/73/432765173.db2.gz CFQCZJDCIUHKJI-CQSZACIVSA-N 1 0 318.465 3.095 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000161212925 432767392 /nfs/dbraw/zinc/76/73/92/432767392.db2.gz CODWCFNDAJTLGS-HNNXBMFYSA-N 1 0 324.852 3.005 20 70 DGIDRO CCn1ccnc1CN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161241177 432768246 /nfs/dbraw/zinc/76/82/46/432768246.db2.gz VOIVBTWMPGDWNY-UHFFFAOYSA-N 1 0 323.444 3.358 20 70 DGIDRO CC(C)n1cccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000161272568 432769410 /nfs/dbraw/zinc/76/94/10/432769410.db2.gz UPZXXOWPMGYNLT-AWEZNQCLSA-N 1 0 305.447 3.163 20 70 DGIDRO CCCOCc1ccccc1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161312640 432772458 /nfs/dbraw/zinc/77/24/58/432772458.db2.gz POBDSBMUFLZZCC-UHFFFAOYSA-N 1 0 318.461 3.150 20 70 DGIDRO CC[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)Oc1cccc(C)c1 ZINC000161313183 432773729 /nfs/dbraw/zinc/77/37/29/432773729.db2.gz PQELNFHQXYEABA-KRWDZBQOSA-N 1 0 319.445 3.428 20 70 DGIDRO Cc1cccc([C@@H]2CCCCN2C(=O)C[C@@H]2CCC[NH2+]2)c1C ZINC000161339142 432775294 /nfs/dbraw/zinc/77/52/94/432775294.db2.gz ZKSGBEJDSNJIQJ-WMZOPIPTSA-N 1 0 300.446 3.499 20 70 DGIDRO COc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000161436453 432779761 /nfs/dbraw/zinc/77/97/61/432779761.db2.gz FHPINSBBXNEEND-DZGCQCFKSA-N 1 0 313.850 3.055 20 70 DGIDRO Cc1sc2[nH]c(C[N@H+](C)CC3CCCC3)nc(=O)c2c1C ZINC000161503939 432782950 /nfs/dbraw/zinc/78/29/50/432782950.db2.gz KCEZNIPOKWKNDT-UHFFFAOYSA-N 1 0 305.447 3.223 20 70 DGIDRO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C[NH2+]CC1CC1 ZINC000160529313 432727240 /nfs/dbraw/zinc/72/72/40/432727240.db2.gz KQVKMAGSDZZTAZ-HNNXBMFYSA-N 1 0 300.446 3.376 20 70 DGIDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)nc3ccccn32)C1(C)C ZINC000160570680 432728823 /nfs/dbraw/zinc/72/88/23/432728823.db2.gz LTWWPPFESDDMBT-CVEARBPZSA-N 1 0 301.434 3.278 20 70 DGIDRO CC[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cnn(C)c1 ZINC000160587545 432731087 /nfs/dbraw/zinc/73/10/87/432731087.db2.gz PGBPGFJLUDAHLD-AWEZNQCLSA-N 1 0 318.490 3.429 20 70 DGIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Cl)s1 ZINC000160612261 432732721 /nfs/dbraw/zinc/73/27/21/432732721.db2.gz UJENZGPSCOACNC-ZETCQYMHSA-N 1 0 314.760 3.121 20 70 DGIDRO Cc1csc(CCCC[NH2+][C@H]2CCCc3c2cnn3C)n1 ZINC000160718277 432737613 /nfs/dbraw/zinc/73/76/13/432737613.db2.gz CBPMZTFJNCNFIJ-AWEZNQCLSA-N 1 0 304.463 3.175 20 70 DGIDRO CCOC(=O)CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161482487 432781854 /nfs/dbraw/zinc/78/18/54/432781854.db2.gz KLMISKNYFDBUKJ-GOSISDBHSA-N 1 0 321.417 3.088 20 70 DGIDRO Fc1cc(Cl)ccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000160767004 432740562 /nfs/dbraw/zinc/74/05/62/432740562.db2.gz PGWSGBMZWMNRTQ-SNVBAGLBSA-N 1 0 324.749 3.453 20 70 DGIDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCSC(C)(C)C)C1 ZINC000160768476 432741363 /nfs/dbraw/zinc/74/13/63/432741363.db2.gz KKVLVVLIFJCUDU-GJZGRUSLSA-N 1 0 312.523 3.241 20 70 DGIDRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000160810241 432742098 /nfs/dbraw/zinc/74/20/98/432742098.db2.gz KEKRNQREPJAQGL-KRWDZBQOSA-N 1 0 318.367 3.436 20 70 DGIDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cnc2ccccn12 ZINC000160816059 432744802 /nfs/dbraw/zinc/74/48/02/432744802.db2.gz MQCXIZCVFXYEHK-OAHLLOKOSA-N 1 0 309.413 3.406 20 70 DGIDRO Cc1sc2[nH]c(CN(C)[C@@H](C)c3ccco3)nc(=O)c2c1C ZINC000161501062 432783060 /nfs/dbraw/zinc/78/30/60/432783060.db2.gz KAGMZIVLMWVZQR-JTQLQIEISA-N 1 0 317.414 3.387 20 70 DGIDRO C[C@H](CC(=O)N1CCSC2(CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000161451253 289418012 /nfs/dbraw/zinc/41/80/12/289418012.db2.gz ZUHJVKZLUWZBCX-CVEARBPZSA-N 1 0 324.534 3.291 20 70 DGIDRO C[C@H](CNC(=O)CCc1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC000159780960 292800411 /nfs/dbraw/zinc/80/04/11/292800411.db2.gz TWOZMTWNMXPVTF-CQSZACIVSA-N 1 0 324.415 3.136 20 70 DGIDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000159852406 292801491 /nfs/dbraw/zinc/80/14/91/292801491.db2.gz WHASEZSQLRJHKR-BEFAXECRSA-N 1 0 315.461 3.203 20 70 DGIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1 ZINC000160027643 292805784 /nfs/dbraw/zinc/80/57/84/292805784.db2.gz NDJPUTGKFNUSMF-UHFFFAOYSA-N 1 0 320.396 3.186 20 70 DGIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000160062391 292806486 /nfs/dbraw/zinc/80/64/86/292806486.db2.gz KUCQKAYHEWYAEO-IAGOWNOFSA-N 1 0 306.494 3.393 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000160196222 292809529 /nfs/dbraw/zinc/80/95/29/292809529.db2.gz OQFKBEMLDUMXMX-JSGCOSHPSA-N 1 0 317.882 3.201 20 70 DGIDRO C[C@@H]1CCC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160508869 292816268 /nfs/dbraw/zinc/81/62/68/292816268.db2.gz OVVDCPJLHLOBJN-NVXWUHKLSA-N 1 0 309.498 3.329 20 70 DGIDRO C[C@H]1CCC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160508992 292816342 /nfs/dbraw/zinc/81/63/42/292816342.db2.gz OVVDCPJLHLOBJN-DOTOQJQBSA-N 1 0 309.498 3.329 20 70 DGIDRO CC[C@H](C(=O)N1CCC(CCc2ccccc2)CC1)[NH+](C)C ZINC000160728850 292821299 /nfs/dbraw/zinc/82/12/99/292821299.db2.gz UBYVZLNAMLCLMX-GOSISDBHSA-N 1 0 302.462 3.198 20 70 DGIDRO C[NH+](C)CCCOC1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000160980418 292825491 /nfs/dbraw/zinc/82/54/91/292825491.db2.gz ABPFFGBOSSBEOX-UHFFFAOYSA-N 1 0 324.509 3.162 20 70 DGIDRO CCCNC(=O)C1([NH2+]Cc2cccc3cc[nH]c32)CCCCC1 ZINC000161041221 292826759 /nfs/dbraw/zinc/82/67/59/292826759.db2.gz IEVLSEKYRVBGJQ-UHFFFAOYSA-N 1 0 313.445 3.487 20 70 DGIDRO COc1cc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000159967081 295025150 /nfs/dbraw/zinc/02/51/50/295025150.db2.gz MLEJRTCADIWRFP-GXTWGEPZSA-N 1 0 323.433 3.321 20 70 DGIDRO Cc1ccc(NC(=O)c2cccc3[nH]cnc32)c(C[NH+](C)C)c1 ZINC000159541831 534191707 /nfs/dbraw/zinc/19/17/07/534191707.db2.gz WSGIHPUIABAHSH-UHFFFAOYSA-N 1 0 308.385 3.185 20 70 DGIDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCOC1 ZINC000160502477 522878302 /nfs/dbraw/zinc/87/83/02/522878302.db2.gz GSISOBKDJDYHLK-QZTJIDSGSA-N 1 0 317.477 3.223 20 70 DGIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160404927 525208911 /nfs/dbraw/zinc/20/89/11/525208911.db2.gz GUZNGGPLWMRTAS-IAGOWNOFSA-N 1 0 321.509 3.330 20 70 DGIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(N2CCCC2=O)c1 ZINC000160558064 525500669 /nfs/dbraw/zinc/50/06/69/525500669.db2.gz MYDODCXYMXPTDQ-KYJSFNMBSA-N 1 0 316.445 3.015 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000160357769 525641066 /nfs/dbraw/zinc/64/10/66/525641066.db2.gz RHOQOBJPGKMULH-ZYHUDNBSSA-N 1 0 305.390 3.053 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000160316783 525641374 /nfs/dbraw/zinc/64/13/74/525641374.db2.gz KBLZFSRDIHVYRE-GXFFZTMASA-N 1 0 307.381 3.470 20 70 DGIDRO O=C(NCCc1cccc(-c2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000160516919 526414335 /nfs/dbraw/zinc/41/43/35/526414335.db2.gz ACIMKAODRSABTB-IBGZPJMESA-N 1 0 308.425 3.012 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1cnc(-c2ccsc2)s1 ZINC000160540422 528946634 /nfs/dbraw/zinc/94/66/34/528946634.db2.gz SYYJMDFGYVRNJP-UHFFFAOYSA-N 1 0 309.460 3.119 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)NCCCc2ccc(Cl)cc2)CC1 ZINC000159789912 529025839 /nfs/dbraw/zinc/02/58/39/529025839.db2.gz BNJHVVCSSFAZBL-UHFFFAOYSA-N 1 0 323.868 3.010 20 70 DGIDRO CC(C)(C)Cc1cc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)n[nH]1 ZINC000159439436 546053732 /nfs/dbraw/zinc/05/37/32/546053732.db2.gz IWWMSAHEFWXYHK-CQSZACIVSA-N 1 0 320.824 3.290 20 70 DGIDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1F ZINC000160177009 546058839 /nfs/dbraw/zinc/05/88/39/546058839.db2.gz RKTIVTHESHTWCZ-SUMWQHHRSA-N 1 0 304.409 3.410 20 70 DGIDRO COc1cc(C[NH2+][C@H]2CCCOC2)ccc1OC1CCCC1 ZINC000160288973 546059096 /nfs/dbraw/zinc/05/90/96/546059096.db2.gz RFQLWTMFUBUCFZ-HNNXBMFYSA-N 1 0 305.418 3.285 20 70 DGIDRO CC1(C)CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000160188507 546059128 /nfs/dbraw/zinc/05/91/28/546059128.db2.gz HFLIPCVJTQPIEQ-GXTWGEPZSA-N 1 0 311.422 3.213 20 70 DGIDRO Cc1cc(C)cc(CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000160593023 546060693 /nfs/dbraw/zinc/06/06/93/546060693.db2.gz WUKRVSJABVXTMB-QGZVFWFLSA-N 1 0 316.832 3.316 20 70 DGIDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000160652122 546061514 /nfs/dbraw/zinc/06/15/14/546061514.db2.gz GLJCWDAAMIZECY-ZWKOTPCHSA-N 1 0 323.440 3.007 20 70 DGIDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)oc2c1c(C)ccc2C ZINC000160861186 546062710 /nfs/dbraw/zinc/06/27/10/546062710.db2.gz CPSSSTABLLGCPV-ZIAGYGMSSA-N 1 0 300.402 3.358 20 70 DGIDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000161210008 546066117 /nfs/dbraw/zinc/06/61/17/546066117.db2.gz JWGJHMMGYTUACB-AAEUAGOBSA-N 1 0 306.406 3.288 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000161395392 546068110 /nfs/dbraw/zinc/06/81/10/546068110.db2.gz SOAIDLKNGBONNU-JKSUJKDBSA-N 1 0 310.397 3.479 20 70 DGIDRO Fc1ccccc1SCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000161343845 546068283 /nfs/dbraw/zinc/06/82/83/546068283.db2.gz GSMNYAUDMBXUNN-UHFFFAOYSA-N 1 0 317.433 3.135 20 70 DGIDRO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC000161399240 546068548 /nfs/dbraw/zinc/06/85/48/546068548.db2.gz OSTHXHDLAAFQQZ-UHFFFAOYSA-N 1 0 324.428 3.130 20 70 DGIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1csc2ccccc12 ZINC000161455749 546069226 /nfs/dbraw/zinc/06/92/26/546069226.db2.gz PRKGOQGYNFLMGG-UHFFFAOYSA-N 1 0 311.472 3.158 20 70 DGIDRO Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000161429880 546069623 /nfs/dbraw/zinc/06/96/23/546069623.db2.gz PAHJSGUVRQJMIM-MRXNPFEDSA-N 1 0 324.428 3.128 20 70 DGIDRO O=C(OC[C@H]1CCCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000216644366 626996314 /nfs/dbraw/zinc/99/63/14/626996314.db2.gz SJIXDRIQFNEPSG-ZWKOTPCHSA-N 1 0 317.429 3.011 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000160527528 282125620 /nfs/dbraw/zinc/12/56/20/282125620.db2.gz LCCQHSABNIFMNA-SCLBCKFNSA-N 1 0 310.445 3.131 20 70 DGIDRO CCc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](CC)CC2)cc1 ZINC000159531462 529705382 /nfs/dbraw/zinc/70/53/82/529705382.db2.gz WCZDOMYPWIZFNN-OAHLLOKOSA-N 1 0 303.450 3.047 20 70 DGIDRO CCCn1c(C)nnc1C[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000159584343 186129248 /nfs/dbraw/zinc/12/92/48/186129248.db2.gz CERMVYXEEZOMBB-KRWDZBQOSA-N 1 0 300.450 3.450 20 70 DGIDRO O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161135895 197468920 /nfs/dbraw/zinc/46/89/20/197468920.db2.gz WOAXRNKSLQZBMM-OAHLLOKOSA-N 1 0 302.418 3.084 20 70 DGIDRO COc1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161110486 197466049 /nfs/dbraw/zinc/46/60/49/197466049.db2.gz CKMVWEXEFRIQQR-KFWWJZLASA-N 1 0 306.450 3.227 20 70 DGIDRO O=C([C@@H]1CCC[NH2+]C1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881862 197446649 /nfs/dbraw/zinc/44/66/49/197446649.db2.gz DZUHFDUNBRBPEB-MRXNPFEDSA-N 1 0 320.864 3.121 20 70 DGIDRO CC1(C)C[C@H]([NH2+]Cc2c(F)cccc2N2CCCC2)CCO1 ZINC000160489319 197415857 /nfs/dbraw/zinc/41/58/57/197415857.db2.gz GXRWDKMKQBTVQK-CQSZACIVSA-N 1 0 306.425 3.473 20 70 DGIDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000160237065 197394704 /nfs/dbraw/zinc/39/47/04/197394704.db2.gz ALFYYDRELZAHOB-GFCCVEGCSA-N 1 0 321.833 3.027 20 70 DGIDRO CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1nc(C)cs1 ZINC000160174125 197391124 /nfs/dbraw/zinc/39/11/24/197391124.db2.gz OSKWDGCYJZHQHT-GXTWGEPZSA-N 1 0 303.431 3.141 20 70 DGIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc([S@@](C)=O)cc1 ZINC000160037026 197380633 /nfs/dbraw/zinc/38/06/33/197380633.db2.gz OHPZMLYWNDMUJE-SAZGQGMLSA-N 1 0 323.483 3.044 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000159934265 197374716 /nfs/dbraw/zinc/37/47/16/197374716.db2.gz DNPWYPZBVWTJQY-CABCVRRESA-N 1 0 308.491 3.395 20 70 DGIDRO [NH3+]Cc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000159809451 197366226 /nfs/dbraw/zinc/36/62/26/197366226.db2.gz MIIJHSNQPOSDDI-INIZCTEOSA-N 1 0 314.816 3.428 20 70 DGIDRO CN(C)c1cccc(C[N@H+](C)CCCOCC(F)(F)F)c1 ZINC000159789820 197364693 /nfs/dbraw/zinc/36/46/93/197364693.db2.gz XYYANWVYRCZVFY-UHFFFAOYSA-N 1 0 304.356 3.153 20 70 DGIDRO Cc1cc(OC(F)F)c(C(=O)NCC2([NH3+])CCCCC2)s1 ZINC000159766031 197362898 /nfs/dbraw/zinc/36/28/98/197362898.db2.gz CGTICLVLDRZDPY-UHFFFAOYSA-N 1 0 318.389 3.049 20 70 DGIDRO CCN(CC[NH2+][C@H](C)c1cncc(F)c1)C(=O)OC(C)(C)C ZINC000159496488 197358053 /nfs/dbraw/zinc/35/80/53/197358053.db2.gz YDSTZAOKNFLQDR-GFCCVEGCSA-N 1 0 311.401 3.128 20 70 DGIDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000159460103 197355206 /nfs/dbraw/zinc/35/52/06/197355206.db2.gz LNNWJEMEZKKCLO-WQVCFCJDSA-N 1 0 307.821 3.396 20 70 DGIDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000159460240 197354864 /nfs/dbraw/zinc/35/48/64/197354864.db2.gz LNNWJEMEZKKCLO-KCXAZCMYSA-N 1 0 307.821 3.396 20 70 DGIDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc3oc(C)nc3c2)C1 ZINC000159462176 197354959 /nfs/dbraw/zinc/35/49/59/197354959.db2.gz XBUZVQPOZDPPBA-AWEZNQCLSA-N 1 0 316.405 3.084 20 70 DGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2scnc2C)cc1 ZINC000159395609 197350268 /nfs/dbraw/zinc/35/02/68/197350268.db2.gz IKXGNXDFEMOGIM-LLVKDONJSA-N 1 0 324.471 3.096 20 70 DGIDRO CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)OC(C)(C)C ZINC000160691070 400734743 /nfs/dbraw/zinc/73/47/43/400734743.db2.gz HHCXLQYATNDSJS-OAHLLOKOSA-N 1 0 320.477 3.348 20 70 DGIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(CC1CC1)C1CCCCC1 ZINC000160753381 400735868 /nfs/dbraw/zinc/73/58/68/400735868.db2.gz SKUJFLKGPLQCOB-QGZVFWFLSA-N 1 0 319.493 3.225 20 70 DGIDRO CCO[C@@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])C12CCCCC2 ZINC000161020034 286316098 /nfs/dbraw/zinc/31/60/98/286316098.db2.gz OWVPQTWDMMDMAI-DLBZAZTESA-N 1 0 324.509 3.482 20 70 DGIDRO C[C@H](CNC(=O)NCC(C)(C)Cc1ccccc1)[N@H+](C)C1CC1 ZINC000217229871 165378325 /nfs/dbraw/zinc/37/83/25/165378325.db2.gz DATYBULWZAFODC-OAHLLOKOSA-N 1 0 317.477 3.037 20 70 DGIDRO COc1ccc([C@H](C)C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159693894 228242512 /nfs/dbraw/zinc/24/25/12/228242512.db2.gz MBQPCBWMAYPHSC-HNNXBMFYSA-N 1 0 318.461 3.227 20 70 DGIDRO Cc1cccc([C@H](C)CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000160735188 228247951 /nfs/dbraw/zinc/24/79/51/228247951.db2.gz SNMREPQEVOEAAL-JFIYKMOQSA-N 1 0 302.462 3.241 20 70 DGIDRO C[C@H](CSCc1ccccc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000161291574 228251561 /nfs/dbraw/zinc/25/15/61/228251561.db2.gz BRZUKSZEHYDHHI-OAHLLOKOSA-N 1 0 320.502 3.014 20 70 DGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000161289606 276090880 /nfs/dbraw/zinc/09/08/80/276090880.db2.gz PHTATFVWLJISKH-WFASDCNBSA-N 1 0 324.852 3.400 20 70 DGIDRO CC(C)(C[NH3+])C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000161073359 278609537 /nfs/dbraw/zinc/60/95/37/278609537.db2.gz NWZABBLXKPMLHB-SFHVURJKSA-N 1 0 310.441 3.114 20 70 DGIDRO CSC[C@@](C)(O)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000217849175 432655708 /nfs/dbraw/zinc/65/57/08/432655708.db2.gz XETDEJSNKGBFOX-HNNXBMFYSA-N 1 0 308.472 3.014 20 70 DGIDRO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000218742803 432660189 /nfs/dbraw/zinc/66/01/89/432660189.db2.gz AWHQODORVCMIAK-QSOKESPWSA-N 1 0 316.489 3.457 20 70 DGIDRO Cc1ncc([C@H](C)[NH2+]C[C@H](C)N2CCc3ccccc3C2)c(C)n1 ZINC000159805526 432697071 /nfs/dbraw/zinc/69/70/71/432697071.db2.gz QYDYHAIRVUPTJB-GJZGRUSLSA-N 1 0 324.472 3.191 20 70 DGIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CCOCC1 ZINC000160045005 432704967 /nfs/dbraw/zinc/70/49/67/432704967.db2.gz QPISWFSRGBRPRZ-ZDUSSCGKSA-N 1 0 322.415 3.056 20 70 DGIDRO CC(C)CSCCC[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000160028346 432705098 /nfs/dbraw/zinc/70/50/98/432705098.db2.gz PBRUHLUZOIVNBZ-QGZVFWFLSA-N 1 0 320.502 3.375 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000160153665 432708162 /nfs/dbraw/zinc/70/81/62/432708162.db2.gz ZMBVBCIOLLMAGP-JKSUJKDBSA-N 1 0 311.491 3.164 20 70 DGIDRO CCC[C@H]([NH2+][C@@H](C)C(C)C)C(=O)N1CCc2sccc2C1 ZINC000160164643 432708473 /nfs/dbraw/zinc/70/84/73/432708473.db2.gz RSURLPQODFSZGU-ZFWWWQNUSA-N 1 0 308.491 3.436 20 70 DGIDRO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)n1 ZINC000160207782 432709811 /nfs/dbraw/zinc/70/98/11/432709811.db2.gz CEVWYFMBRLWGRC-SOLBZPMBSA-N 1 0 315.461 3.316 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000160178528 432710810 /nfs/dbraw/zinc/71/08/10/432710810.db2.gz HHPPSUDUHORVMF-HOTGVXAUSA-N 1 0 311.491 3.164 20 70 DGIDRO O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000160220211 432711702 /nfs/dbraw/zinc/71/17/02/432711702.db2.gz KSFXZKFAKALJHD-GJZGRUSLSA-N 1 0 322.399 3.061 20 70 DGIDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000160307419 432713752 /nfs/dbraw/zinc/71/37/52/432713752.db2.gz PRDALOYPDGOONY-CQSZACIVSA-N 1 0 304.390 3.004 20 70 DGIDRO CC(C)(C)c1nccc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160441509 432721783 /nfs/dbraw/zinc/72/17/83/432721783.db2.gz QGXHQQVYXCXQLZ-HNNXBMFYSA-N 1 0 302.466 3.229 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000160508148 432724751 /nfs/dbraw/zinc/72/47/51/432724751.db2.gz QYGQHMLIDLKUMB-UHFFFAOYSA-N 1 0 321.808 3.242 20 70 DGIDRO COC(=O)C1(N(C)Cc2ccc(SC)c(OC)c2)CCCC1 ZINC000159363796 432680082 /nfs/dbraw/zinc/68/00/82/432680082.db2.gz HMWKALAOIUOUOL-UHFFFAOYSA-N 1 0 323.458 3.335 20 70 DGIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159547338 432686786 /nfs/dbraw/zinc/68/67/86/432686786.db2.gz FPKQSBWKIYSDJS-WCQYABFASA-N 1 0 304.459 3.463 20 70 DGIDRO CC1(C)Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)c2O1 ZINC000159545735 432686836 /nfs/dbraw/zinc/68/68/36/432686836.db2.gz AJNYQCNWFJCNLS-JQHSSLGASA-N 1 0 313.441 3.447 20 70 DGIDRO CC(C)(C)c1nsc(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000159570314 432687737 /nfs/dbraw/zinc/68/77/37/432687737.db2.gz VXKCUBOZWDXKKD-ZDUSSCGKSA-N 1 0 308.495 3.290 20 70 DGIDRO FC(F)(F)COCCCN1CC[NH+](CCC2CCCC2)CC1 ZINC000159607054 432688017 /nfs/dbraw/zinc/68/80/17/432688017.db2.gz YKUNSJZGIZQQLI-UHFFFAOYSA-N 1 0 322.415 3.153 20 70 DGIDRO CCC[C@@]1(C)CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160933441 432748953 /nfs/dbraw/zinc/74/89/53/432748953.db2.gz ZHLXNHBWFXTNND-MJGOQNOKSA-N 1 0 300.446 3.130 20 70 DGIDRO CC(C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160930388 432749094 /nfs/dbraw/zinc/74/90/94/432749094.db2.gz DMZGRDGJWCZOMO-XHSDSOJGSA-N 1 0 318.461 3.070 20 70 DGIDRO C[C@H](Cc1ccccc1F)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160918153 432749479 /nfs/dbraw/zinc/74/94/79/432749479.db2.gz CNFQKDWBUIJYNF-CQSZACIVSA-N 1 0 314.404 3.248 20 70 DGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)CCC=C(C)C)cc1 ZINC000160968423 432751395 /nfs/dbraw/zinc/75/13/95/432751395.db2.gz UHPWFXXHWLMCNF-HNNXBMFYSA-N 1 0 304.434 3.036 20 70 DGIDRO C[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000161025223 432754092 /nfs/dbraw/zinc/75/40/92/432754092.db2.gz IUICYORXZPPWEH-WCXIOVBPSA-N 1 0 322.493 3.246 20 70 DGIDRO C[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000161025080 432754865 /nfs/dbraw/zinc/75/48/65/432754865.db2.gz IUICYORXZPPWEH-LUKYLMHMSA-N 1 0 322.493 3.246 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000161076091 432757630 /nfs/dbraw/zinc/75/76/30/432757630.db2.gz VKPJCXXTBFXFNK-UXHICEINSA-N 1 0 322.452 3.271 20 70 DGIDRO CC[C@@H](Cc1ccccc1)N(C)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000161106980 432759212 /nfs/dbraw/zinc/75/92/12/432759212.db2.gz UGDJUHJZCPFPCB-APWZRJJASA-N 1 0 316.489 3.492 20 70 DGIDRO CC[C@@H]([NH2+]CCCOCc1ccc(OC)cc1)[C@H]1CCOC1 ZINC000161094207 432759940 /nfs/dbraw/zinc/75/99/40/432759940.db2.gz XQGCFWDNOICOMI-FUHWJXTLSA-N 1 0 307.434 3.007 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000161129457 432760660 /nfs/dbraw/zinc/76/06/60/432760660.db2.gz VNTBMHPHDXQXBC-HNNXBMFYSA-N 1 0 320.452 3.243 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000161159577 432762703 /nfs/dbraw/zinc/76/27/03/432762703.db2.gz JTVIBEZTWJPJLF-CQSZACIVSA-N 1 0 318.417 3.378 20 70 DGIDRO CC(C)[C@@H](C(=O)Nc1ncc(Cc2ccccc2)s1)[NH+](C)C ZINC000161171510 432763128 /nfs/dbraw/zinc/76/31/28/432763128.db2.gz XRXQNEJTPOWDGJ-HNNXBMFYSA-N 1 0 317.458 3.259 20 70 DGIDRO CC[C@@H](C(=O)NCC1(c2ccc(Cl)cc2)CCC1)[NH+](C)C ZINC000161152020 432763181 /nfs/dbraw/zinc/76/31/81/432763181.db2.gz VMMRSBZLLBIKSA-HNNXBMFYSA-N 1 0 308.853 3.218 20 70 DGIDRO C[C@H](c1ccncc1)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161187359 432764336 /nfs/dbraw/zinc/76/43/36/432764336.db2.gz MHFUCXWPGIVHRO-OAHLLOKOSA-N 1 0 317.477 3.359 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000161213176 432767244 /nfs/dbraw/zinc/76/72/44/432767244.db2.gz XMTOOWCWUVYNKM-GFCCVEGCSA-N 1 0 322.355 3.337 20 70 DGIDRO CC(=O)NC1CCC([NH2+]C[C@H](Nc2ccccc2)C(C)C)CC1 ZINC000161253439 432767925 /nfs/dbraw/zinc/76/79/25/432767925.db2.gz WKMHBWLCVAGENQ-KVZIAJEVSA-N 1 0 317.477 3.160 20 70 DGIDRO Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161236310 432768601 /nfs/dbraw/zinc/76/86/01/432768601.db2.gz UUUWGMQTDBXNOF-CGTJXYLNSA-N 1 0 300.446 3.294 20 70 DGIDRO CCCn1ccc2ccc(NC(=O)[C@H]([NH3+])CCSC)cc21 ZINC000161282503 432771314 /nfs/dbraw/zinc/77/13/14/432771314.db2.gz WNIXMRQMTADJKO-CQSZACIVSA-N 1 0 305.447 3.070 20 70 DGIDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161293770 432771850 /nfs/dbraw/zinc/77/18/50/432771850.db2.gz ZXJNYZXBGZQSEQ-ZDUSSCGKSA-N 1 0 320.864 3.262 20 70 DGIDRO Cc1ccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cn1 ZINC000161316962 432772395 /nfs/dbraw/zinc/77/23/95/432772395.db2.gz SSXYMXSWPYCYAT-UHFFFAOYSA-N 1 0 321.424 3.312 20 70 DGIDRO Fc1ccc([C@@H]2CN(CCC[NH+]3CCCCC3)CCO2)cc1F ZINC000161320155 432772481 /nfs/dbraw/zinc/77/24/81/432772481.db2.gz JHAHXJYVISGUKQ-SFHVURJKSA-N 1 0 324.415 3.214 20 70 DGIDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2(C)CCC2)CC1 ZINC000161315827 432772644 /nfs/dbraw/zinc/77/26/44/432772644.db2.gz CSVUUZIBRGLBDA-OAHLLOKOSA-N 1 0 315.461 3.454 20 70 DGIDRO C[NH2+]C[C@H](C)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000161321578 432773219 /nfs/dbraw/zinc/77/32/19/432773219.db2.gz YVBZKQQIRANBKS-NSHDSACASA-N 1 0 314.351 3.056 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCOc2c(C)cccc2C)CC1 ZINC000161351058 432774606 /nfs/dbraw/zinc/77/46/06/432774606.db2.gz IPUFSNHRCQHWMZ-UHFFFAOYSA-N 1 0 318.461 3.109 20 70 DGIDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000161351528 432775199 /nfs/dbraw/zinc/77/51/99/432775199.db2.gz LLQHPPURTSXDCL-NYHFZMIOSA-N 1 0 317.454 3.462 20 70 DGIDRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC[NH+]1CCCCC1 ZINC000161377483 432775740 /nfs/dbraw/zinc/77/57/40/432775740.db2.gz UQGQBXJRHCATHM-OPAMFIHVSA-N 1 0 322.518 3.293 20 70 DGIDRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC[NH+]1CCCCC1 ZINC000161377653 432776555 /nfs/dbraw/zinc/77/65/55/432776555.db2.gz UQGQBXJRHCATHM-ZHRRBRCNSA-N 1 0 322.518 3.293 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2c(c1)OCO2 ZINC000160546418 432727085 /nfs/dbraw/zinc/72/70/85/432727085.db2.gz DBGNKAPJJQWPQY-UHFFFAOYSA-N 1 0 321.421 3.001 20 70 DGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000160537445 432727130 /nfs/dbraw/zinc/72/71/30/432727130.db2.gz JHCUPODBUMZGHB-KGLIPLIRSA-N 1 0 322.449 3.399 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2cc(O)ccc2Br)CCO1 ZINC000160549428 432727188 /nfs/dbraw/zinc/72/71/88/432727188.db2.gz HGVJCGZHHFFQOR-NSHDSACASA-N 1 0 314.223 3.202 20 70 DGIDRO C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C1CCOCC1 ZINC000160557461 432728768 /nfs/dbraw/zinc/72/87/68/432728768.db2.gz HBOSYRZMEUXPFX-INIZCTEOSA-N 1 0 317.477 3.367 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CCO1 ZINC000160592678 432729906 /nfs/dbraw/zinc/72/99/06/432729906.db2.gz LDSBLKYKWAWHJL-HNNXBMFYSA-N 1 0 313.401 3.316 20 70 DGIDRO Cc1cccc([C@@H]2CCCN2C(=O)CC2CC[NH2+]CC2)c1C ZINC000160721713 432737356 /nfs/dbraw/zinc/73/73/56/432737356.db2.gz FGCQLOZDFYMJLK-SFHVURJKSA-N 1 0 300.446 3.357 20 70 DGIDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(F)cc1 ZINC000160725098 432738033 /nfs/dbraw/zinc/73/80/33/432738033.db2.gz UHGNSOUUHQXRNR-KRWDZBQOSA-N 1 0 300.377 3.426 20 70 DGIDRO CC(C)[N@H+](C)CC(=O)NCCCOc1ccc2ccccc2c1 ZINC000160736279 432738520 /nfs/dbraw/zinc/73/85/20/432738520.db2.gz GFLXZRFFXSLBRA-UHFFFAOYSA-N 1 0 314.429 3.065 20 70 DGIDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCSC(C)(C)C)C1 ZINC000160768887 432741235 /nfs/dbraw/zinc/74/12/35/432741235.db2.gz KKVLVVLIFJCUDU-HUUCEWRRSA-N 1 0 312.523 3.241 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000160800032 432742284 /nfs/dbraw/zinc/74/22/84/432742284.db2.gz SWKFMPONZGYMOP-SOLBZPMBSA-N 1 0 319.493 3.467 20 70 DGIDRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCCCCC1 ZINC000160822833 432744221 /nfs/dbraw/zinc/74/42/21/432744221.db2.gz GNFKBNOZCSGMBR-OAHLLOKOSA-N 1 0 307.482 3.368 20 70 DGIDRO COc1ccc(C[N@H+](C)Cc2ccc3c[nH]nc3c2)c(OC)c1 ZINC000160830147 432744736 /nfs/dbraw/zinc/74/47/36/432744736.db2.gz GCKDPLQFOPSNBX-UHFFFAOYSA-N 1 0 311.385 3.212 20 70 DGIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159362887 292791298 /nfs/dbraw/zinc/79/12/98/292791298.db2.gz DQZXHLSOFVLCGS-VXGBXAGGSA-N 1 0 305.340 3.356 20 70 DGIDRO CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000159655910 292797506 /nfs/dbraw/zinc/79/75/06/292797506.db2.gz XMSYWOIISAYDAS-LSDHHAIUSA-N 1 0 314.470 3.037 20 70 DGIDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160534659 292816204 /nfs/dbraw/zinc/81/62/04/292816204.db2.gz HOPDYQPJVHJIEE-KYJSFNMBSA-N 1 0 318.461 3.107 20 70 DGIDRO CCC[C@H](C)[C@H](CC)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000160992578 292826029 /nfs/dbraw/zinc/82/60/29/292826029.db2.gz ANFREVHDYNGIBT-YOEHRIQHSA-N 1 0 306.450 3.116 20 70 DGIDRO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)nc2ccccc12 ZINC000159753095 534040526 /nfs/dbraw/zinc/04/05/26/534040526.db2.gz KVEPDNZQLXLGLR-UHFFFAOYSA-N 1 0 323.440 3.147 20 70 DGIDRO O=C(CCc1ccc(-c2ccccc2)o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160089232 534456097 /nfs/dbraw/zinc/45/60/97/534456097.db2.gz IMZJXENYIIEWNV-CALCHBBNSA-N 1 0 324.424 3.232 20 70 DGIDRO [NH3+]C1(CNC(=O)C2(c3ccccc3)CCCC2)CCCCC1 ZINC000159691600 534535690 /nfs/dbraw/zinc/53/56/90/534535690.db2.gz XIXCWGVNPBUQHO-UHFFFAOYSA-N 1 0 300.446 3.276 20 70 DGIDRO [NH3+]C1(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCCC1 ZINC000159700803 534547958 /nfs/dbraw/zinc/54/79/58/534547958.db2.gz TZKSLIGZMXNRAN-UHFFFAOYSA-N 1 0 316.376 3.477 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)on1 ZINC000161215165 522418689 /nfs/dbraw/zinc/41/86/89/522418689.db2.gz LEPKSSPVQGSCRW-ZIAGYGMSSA-N 1 0 307.438 3.040 20 70 DGIDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCOC1 ZINC000161114988 522879251 /nfs/dbraw/zinc/87/92/51/522879251.db2.gz PZJKOBWQLVZFQW-BMGDILEWSA-N 1 0 318.461 3.120 20 70 DGIDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccc(OC(F)F)cc1 ZINC000160359614 522919010 /nfs/dbraw/zinc/91/90/10/522919010.db2.gz NPTWYWDENAIVMK-GXTWGEPZSA-N 1 0 319.417 3.443 20 70 DGIDRO CC[C@H](C)N(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160320499 523912627 /nfs/dbraw/zinc/91/26/27/523912627.db2.gz LODCJWSQPAUUFN-ZOBUZTSGSA-N 1 0 303.450 3.089 20 70 DGIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CCCC1 ZINC000160495360 525461152 /nfs/dbraw/zinc/46/11/52/525461152.db2.gz OZMXXMQYHMOGDI-INIZCTEOSA-N 1 0 302.462 3.187 20 70 DGIDRO CC(C)c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000159701631 528072998 /nfs/dbraw/zinc/07/29/98/528072998.db2.gz SZJDKWUNVINVTQ-GOSISDBHSA-N 1 0 311.429 3.238 20 70 DGIDRO CC(C)c1ccsc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159764862 528211794 /nfs/dbraw/zinc/21/17/94/528211794.db2.gz ACLJQUUBARYLJB-UHFFFAOYSA-N 1 0 306.475 3.476 20 70 DGIDRO CCC(C)(CC)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000159460338 546053199 /nfs/dbraw/zinc/05/31/99/546053199.db2.gz GREWESZRSHTAAZ-UHFFFAOYSA-N 1 0 324.509 3.164 20 70 DGIDRO CC(C)(C)Cc1cc(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)n[nH]1 ZINC000159439562 546053684 /nfs/dbraw/zinc/05/36/84/546053684.db2.gz IWWMSAHEFWXYHK-AWEZNQCLSA-N 1 0 320.824 3.290 20 70 DGIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC000159773715 546055865 /nfs/dbraw/zinc/05/58/65/546055865.db2.gz SUBCYZZQTDDDEI-AEFFLSMTSA-N 1 0 317.477 3.346 20 70 DGIDRO C[C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccncc1 ZINC000159909280 546057539 /nfs/dbraw/zinc/05/75/39/546057539.db2.gz BFDPOHZMSRVQBV-SJLPKXTDSA-N 1 0 315.461 3.052 20 70 DGIDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1 ZINC000160190453 546059284 /nfs/dbraw/zinc/05/92/84/546059284.db2.gz HTMZFZSFLVJWHP-DYVFJYSZSA-N 1 0 304.409 3.410 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1Oc1cccnc1 ZINC000160420025 546060345 /nfs/dbraw/zinc/06/03/45/546060345.db2.gz WVXPKWCIIZYAOT-UHFFFAOYSA-N 1 0 313.401 3.121 20 70 DGIDRO Cc1cc(C)cc(CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000160593108 546060961 /nfs/dbraw/zinc/06/09/61/546060961.db2.gz WUKRVSJABVXTMB-KRWDZBQOSA-N 1 0 316.832 3.316 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000160831236 546062339 /nfs/dbraw/zinc/06/23/39/546062339.db2.gz DGXVQPWMRIZNMY-STQMWFEESA-N 1 0 300.358 3.072 20 70 DGIDRO COc1ccc2sc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c(C)c2c1 ZINC000160858478 546062803 /nfs/dbraw/zinc/06/28/03/546062803.db2.gz KGCJXXFFGCNHAC-VXGBXAGGSA-N 1 0 318.442 3.218 20 70 DGIDRO CC(C)(CCCc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160829569 546062840 /nfs/dbraw/zinc/06/28/40/546062840.db2.gz BRTWZUCNCWUPEC-IRXDYDNUSA-N 1 0 302.462 3.422 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000160831095 546062924 /nfs/dbraw/zinc/06/29/24/546062924.db2.gz DGXVQPWMRIZNMY-QWHCGFSZSA-N 1 0 300.358 3.072 20 70 DGIDRO Clc1ccc(C2(C[NH2+][C@@H]3CCCOC3)CCOCC2)cc1 ZINC000160901522 546063357 /nfs/dbraw/zinc/06/33/57/546063357.db2.gz YRJAIBORIOOMCE-MRXNPFEDSA-N 1 0 309.837 3.157 20 70 DGIDRO Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161009835 546064579 /nfs/dbraw/zinc/06/45/79/546064579.db2.gz IMXYYVDPWVRYMC-JKSUJKDBSA-N 1 0 309.413 3.057 20 70 DGIDRO Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161007400 546064725 /nfs/dbraw/zinc/06/47/25/546064725.db2.gz QJVBWNNSRYSXQC-WDEREUQCSA-N 1 0 321.471 3.180 20 70 DGIDRO Cc1c2cc(F)ccc2sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161064054 546064940 /nfs/dbraw/zinc/06/49/40/546064940.db2.gz GBDHFDNCLAGEQK-NEPJUHHUSA-N 1 0 306.406 3.349 20 70 DGIDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161206858 546065686 /nfs/dbraw/zinc/06/56/86/546065686.db2.gz TZTAPXZEOAVROX-ZYHUDNBSSA-N 1 0 306.406 3.240 20 70 DGIDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1(CC)CC ZINC000161302846 546067497 /nfs/dbraw/zinc/06/74/97/546067497.db2.gz LRCZQXTVRMABIF-HUUCEWRRSA-N 1 0 318.452 3.289 20 70 DGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C)nc2)c1 ZINC000161367435 546068526 /nfs/dbraw/zinc/06/85/26/546068526.db2.gz DADJGBLWZFFGCE-UHFFFAOYSA-N 1 0 312.417 3.163 20 70 DGIDRO Cc1cccc(C2(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CCCC2)c1 ZINC000161471523 546068880 /nfs/dbraw/zinc/06/88/80/546068880.db2.gz IWROPMVJQUQGLI-DLBZAZTESA-N 1 0 300.446 3.193 20 70 DGIDRO COc1ccc(N(C)C(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000161442352 546069085 /nfs/dbraw/zinc/06/90/85/546069085.db2.gz WUEVUPAJCLHSTI-GFCCVEGCSA-N 1 0 324.852 3.337 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000161483885 546069275 /nfs/dbraw/zinc/06/92/75/546069275.db2.gz XTQAJBXIXHJLRC-IRXDYDNUSA-N 1 0 318.436 3.414 20 70 DGIDRO CC[N@H+](CCCCS(C)(=O)=O)[C@H](C)c1ccc(F)cc1 ZINC000161486023 546069286 /nfs/dbraw/zinc/06/92/86/546069286.db2.gz KOQAYJYROUKCOE-CYBMUJFWSA-N 1 0 301.427 3.033 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000216645157 546262597 /nfs/dbraw/zinc/26/25/97/546262597.db2.gz DEAHIAVWQSUBCN-HNNXBMFYSA-N 1 0 322.408 3.332 20 70 DGIDRO CC(C)Oc1ccccc1C[NH2+]CCNC(=O)OC(C)(C)C ZINC000218123626 627103985 /nfs/dbraw/zinc/10/39/85/627103985.db2.gz SAWHHAMOASJCME-UHFFFAOYSA-N 1 0 308.422 3.088 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cnn(CCC(C)C)c1C ZINC000161356156 529689279 /nfs/dbraw/zinc/68/92/79/529689279.db2.gz AHVYFYFYWRUGNI-AWEZNQCLSA-N 1 0 323.485 3.089 20 70 DGIDRO CCCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000159628229 186131828 /nfs/dbraw/zinc/13/18/28/186131828.db2.gz UTXBZWAMQODABW-HNNXBMFYSA-N 1 0 320.452 3.385 20 70 DGIDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(OC(F)(F)F)cc1 ZINC000159752579 186139612 /nfs/dbraw/zinc/13/96/12/186139612.db2.gz DPIQDYWMIHGHLY-LLVKDONJSA-N 1 0 313.323 3.212 20 70 DGIDRO CC(C)COc1ccc([C@@H](C)[NH2+]CCc2cnn(C)c2)cc1 ZINC000159758383 186139793 /nfs/dbraw/zinc/13/97/93/186139793.db2.gz PKCOKRWGOVQZSY-OAHLLOKOSA-N 1 0 301.434 3.348 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000161212536 197475018 /nfs/dbraw/zinc/47/50/18/197475018.db2.gz CGAUEQXIFBDBIY-QGZVFWFLSA-N 1 0 312.413 3.375 20 70 DGIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000161107383 197465813 /nfs/dbraw/zinc/46/58/13/197465813.db2.gz UGDJUHJZCPFPCB-QFBILLFUSA-N 1 0 316.489 3.492 20 70 DGIDRO C[NH2+][C@H]1CCN(C(=O)C2(Sc3ccc(C)cc3)CCCC2)C1 ZINC000160544375 197420654 /nfs/dbraw/zinc/42/06/54/197420654.db2.gz ZNNNEGKJTDYIEK-HNNXBMFYSA-N 1 0 318.486 3.220 20 70 DGIDRO CC(C)OCCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000160226305 197393680 /nfs/dbraw/zinc/39/36/80/197393680.db2.gz KDABDJKELZIQRP-UHFFFAOYSA-N 1 0 322.424 3.291 20 70 DGIDRO CCc1cc(N2CCC(n3ccnn3)CC2)c2ccccc2[nH+]1 ZINC000160197655 197392452 /nfs/dbraw/zinc/39/24/52/197392452.db2.gz HHIDROHGQRJHSC-UHFFFAOYSA-N 1 0 307.401 3.230 20 70 DGIDRO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000160041675 197382001 /nfs/dbraw/zinc/38/20/01/197382001.db2.gz VNTNGWMFOXHHLR-MRVPVSSYSA-N 1 0 321.273 3.328 20 70 DGIDRO CC(C)(C)c1nsc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000160044084 197381955 /nfs/dbraw/zinc/38/19/55/197381955.db2.gz YZDJXYFLLJUCAH-OCCSQVGLSA-N 1 0 320.506 3.289 20 70 DGIDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)CC2 ZINC000159945285 197376360 /nfs/dbraw/zinc/37/63/60/197376360.db2.gz URRUQPIJMMNQQC-IRXDYDNUSA-N 1 0 303.427 3.241 20 70 DGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1cncs1 ZINC000159856315 197369104 /nfs/dbraw/zinc/36/91/04/197369104.db2.gz IUWVQNPYLJZYHO-NWDGAFQWSA-N 1 0 307.488 3.302 20 70 DGIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000159845690 197368030 /nfs/dbraw/zinc/36/80/30/197368030.db2.gz OPLPYRNQAWFYOC-ZDUSSCGKSA-N 1 0 309.417 3.073 20 70 DGIDRO CCn1cc([C@H](C)[NH2+]C[C@H](C)N2CCc3ccccc3C2)cn1 ZINC000159817136 197366383 /nfs/dbraw/zinc/36/63/83/197366383.db2.gz HOWCXKWHLDJVHN-HOTGVXAUSA-N 1 0 312.461 3.000 20 70 DGIDRO CCCCCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159806623 197365490 /nfs/dbraw/zinc/36/54/90/197365490.db2.gz UWAMEVVQODSXBH-UHFFFAOYSA-N 1 0 318.461 3.343 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000159764697 197362904 /nfs/dbraw/zinc/36/29/04/197362904.db2.gz CFHAEYJHZNCIIA-OAHLLOKOSA-N 1 0 317.454 3.390 20 70 DGIDRO COc1cccc(CCC[NH+]2CCC(c3nc(C)no3)CC2)c1 ZINC000159494249 197358251 /nfs/dbraw/zinc/35/82/51/197358251.db2.gz UMCFKZSOIULPLA-UHFFFAOYSA-N 1 0 315.417 3.199 20 70 DGIDRO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000159427756 197353098 /nfs/dbraw/zinc/35/30/98/197353098.db2.gz BMHOLYBKEFNMDQ-VWPFQQQWSA-N 1 0 304.409 3.253 20 70 DGIDRO CC(C)(C)C1CCC(C[NH+]2CCC(N3CCNC3=O)CC2)CC1 ZINC000159417943 400730209 /nfs/dbraw/zinc/73/02/09/400730209.db2.gz DSJVPRFDILWYFI-UHFFFAOYSA-N 1 0 321.509 3.329 20 70 DGIDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cccs3)CCCCC2)C1 ZINC000159511408 400730277 /nfs/dbraw/zinc/73/02/77/400730277.db2.gz NUHWIJIJJSABRZ-HNNXBMFYSA-N 1 0 320.502 3.408 20 70 DGIDRO CCOCCC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000160587964 400734468 /nfs/dbraw/zinc/73/44/68/400734468.db2.gz BTBCSPLNMIRSGM-UHFFFAOYSA-N 1 0 315.417 3.343 20 70 DGIDRO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000161425312 400740456 /nfs/dbraw/zinc/74/04/56/400740456.db2.gz UTUDFLDYFPVGAN-ZTNFWEORSA-N 1 0 320.436 3.278 20 70 DGIDRO Brc1ccc(CC[NH2+]Cc2nccs2)s1 ZINC000218138934 400950852 /nfs/dbraw/zinc/95/08/52/400950852.db2.gz TZRSVYOIBFGPCD-UHFFFAOYSA-N 1 0 303.250 3.299 20 70 DGIDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCCO2 ZINC000160467459 286424312 /nfs/dbraw/zinc/42/43/12/286424312.db2.gz SYJYVUGJBZWZAX-COXVUDFISA-N 1 0 305.418 3.050 20 70 DGIDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCN1CCOCC1 ZINC000217137988 165375543 /nfs/dbraw/zinc/37/55/43/165375543.db2.gz AVUBHXRTYHYJMD-LBPRGKRZSA-N 1 0 317.260 3.318 20 70 DGIDRO c1cc2c(c([C@H]3CCC[N@H+]3CCOCC3CC3)c1)OCCO2 ZINC000160398057 228246211 /nfs/dbraw/zinc/24/62/11/228246211.db2.gz ZCRMUEVSGYVSKG-MRXNPFEDSA-N 1 0 303.402 3.021 20 70 DGIDRO Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000160191050 280267326 /nfs/dbraw/zinc/26/73/26/280267326.db2.gz NEUPKMLNTJZOIK-AWEZNQCLSA-N 1 0 308.381 3.458 20 70 DGIDRO CC(C)[N@H+](C)CCCNCc1csc(-c2ccccn2)n1 ZINC000218211613 432658189 /nfs/dbraw/zinc/65/81/89/432658189.db2.gz ZWUPWHQWHFAFOO-UHFFFAOYSA-N 1 0 304.463 3.025 20 70 DGIDRO C[C@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cscn1 ZINC000218245913 432658860 /nfs/dbraw/zinc/65/88/60/432658860.db2.gz JGZUCRJSPCWZTF-RYUDHWBXSA-N 1 0 311.451 3.193 20 70 DGIDRO C[N@H+](CCOc1cccc(Cl)c1)C[C@@H](O)Cc1ccccc1 ZINC000218763138 432660554 /nfs/dbraw/zinc/66/05/54/432660554.db2.gz QOYVQXFVIKYLBG-KRWDZBQOSA-N 1 0 319.832 3.254 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)on1 ZINC000159719173 432693488 /nfs/dbraw/zinc/69/34/88/432693488.db2.gz IMFADCWXZMQSGA-ZDUSSCGKSA-N 1 0 315.417 3.180 20 70 DGIDRO C[C@H]1SCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1C ZINC000159751491 432694858 /nfs/dbraw/zinc/69/48/58/432694858.db2.gz UIPQTHQTEFNOME-ZIAGYGMSSA-N 1 0 312.523 3.097 20 70 DGIDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000159852282 432699656 /nfs/dbraw/zinc/69/96/56/432699656.db2.gz WHASEZSQLRJHKR-DNVCBOLYSA-N 1 0 315.461 3.203 20 70 DGIDRO C[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)N1CCc2sccc2C1 ZINC000159875514 432699807 /nfs/dbraw/zinc/69/98/07/432699807.db2.gz XUGSJMXCDBDHGB-XJKSGUPXSA-N 1 0 322.518 3.430 20 70 DGIDRO CC[C@H](C)C[N@H+](CC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000160537247 432726108 /nfs/dbraw/zinc/72/61/08/432726108.db2.gz NBEFOTQUAJYQLZ-NSHDSACASA-N 1 0 307.825 3.445 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000160068603 432704449 /nfs/dbraw/zinc/70/44/49/432704449.db2.gz WQWHFUIPJFVGNE-CABCVRRESA-N 1 0 308.466 3.393 20 70 DGIDRO C[NH+]1CCC(Oc2ccc(NCc3cccc(F)c3)cn2)CC1 ZINC000160138674 432709102 /nfs/dbraw/zinc/70/91/02/432709102.db2.gz LYQMAJUMAZHGDN-UHFFFAOYSA-N 1 0 315.392 3.306 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000160186983 432709801 /nfs/dbraw/zinc/70/98/01/432709801.db2.gz QUCSLCYEYUALEG-QWRGUYRKSA-N 1 0 323.380 3.350 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000160178780 432710686 /nfs/dbraw/zinc/71/06/86/432710686.db2.gz HHPPSUDUHORVMF-JKSUJKDBSA-N 1 0 311.491 3.164 20 70 DGIDRO CCC(C)(C)NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160291325 432713159 /nfs/dbraw/zinc/71/31/59/432713159.db2.gz FPUYKMVCEUYKQI-GOEBONIOSA-N 1 0 303.450 3.137 20 70 DGIDRO C[N@H+](CCCNC(=O)N1CCC2(CCC2)C1)C1CCCCC1 ZINC000160282932 432713297 /nfs/dbraw/zinc/71/32/97/432713297.db2.gz PATQRTAAPBBPRD-UHFFFAOYSA-N 1 0 307.482 3.227 20 70 DGIDRO CCCO[C@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)CC1 ZINC000160276591 432713799 /nfs/dbraw/zinc/71/37/99/432713799.db2.gz LNGSONAGRYZBRP-INIZCTEOSA-N 1 0 301.434 3.424 20 70 DGIDRO CS[C@H](C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000160327327 432714101 /nfs/dbraw/zinc/71/41/01/432714101.db2.gz XQKHBXATOKNUAE-CYBMUJFWSA-N 1 0 324.465 3.048 20 70 DGIDRO CC[C@]1(C)C[C@@H]1C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000160265655 432714122 /nfs/dbraw/zinc/71/41/22/432714122.db2.gz FXWGUQXCSAJAHQ-RVKKMQEKSA-N 1 0 315.392 3.201 20 70 DGIDRO Cc1cccc(COc2cccc(C(=O)N3CCC[C@@H]3C[NH3+])c2)c1 ZINC000160341448 432715414 /nfs/dbraw/zinc/71/54/14/432715414.db2.gz JSPBHFHRLBIRCA-GOSISDBHSA-N 1 0 324.424 3.137 20 70 DGIDRO Fc1ccccc1-c1cnc(CN2CC[C@H]([NH+]3CCCC3)C2)o1 ZINC000160335595 432715623 /nfs/dbraw/zinc/71/56/23/432715623.db2.gz PDTPSZVCWNSLDS-AWEZNQCLSA-N 1 0 315.392 3.151 20 70 DGIDRO COc1cc([C@@H](C)[NH2+][C@@H](CCO)CSC)ccc1SC ZINC000160334193 432715688 /nfs/dbraw/zinc/71/56/88/432715688.db2.gz MLBFNOMOSQOSJY-YPMHNXCESA-N 1 0 315.504 3.182 20 70 DGIDRO Cc1occc1C(=O)NC1CC[NH+](CCC2CCCC2)CC1 ZINC000160387416 432716990 /nfs/dbraw/zinc/71/69/90/432716990.db2.gz GNFZVPDCSKGFAQ-UHFFFAOYSA-N 1 0 304.434 3.363 20 70 DGIDRO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H]3C(N)=O)ccc21 ZINC000160368917 432717429 /nfs/dbraw/zinc/71/74/29/432717429.db2.gz VYZYXYAPIJKTOE-LJQANCHMSA-N 1 0 321.424 3.264 20 70 DGIDRO CN(CC(=O)N[C@H]1CCCc2sccc21)Cc1ccccc1 ZINC000160377471 432717484 /nfs/dbraw/zinc/71/74/84/432717484.db2.gz AKVQSSOXIGGNDP-INIZCTEOSA-N 1 0 314.454 3.374 20 70 DGIDRO Cc1ccc(O)c(CN(C)Cc2ccccc2Br)n1 ZINC000160379701 432718119 /nfs/dbraw/zinc/71/81/19/432718119.db2.gz UEMWRTOWNYITBK-UHFFFAOYSA-N 1 0 321.218 3.490 20 70 DGIDRO CC(C)[NH2+]C1CCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000160496963 432723524 /nfs/dbraw/zinc/72/35/24/432723524.db2.gz XWOWOJWWRFAEFW-UHFFFAOYSA-N 1 0 317.408 3.443 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)NCC1(c2cccs2)CCCCC1 ZINC000160497968 432724504 /nfs/dbraw/zinc/72/45/04/432724504.db2.gz FORYTUDHZFEFQP-CQSZACIVSA-N 1 0 306.475 3.208 20 70 DGIDRO CCCOc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1OCC ZINC000160507727 432725052 /nfs/dbraw/zinc/72/50/52/432725052.db2.gz ILORIPCTIOMNEZ-UHFFFAOYSA-N 1 0 322.449 3.121 20 70 DGIDRO CSCCCCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000159442551 432683215 /nfs/dbraw/zinc/68/32/15/432683215.db2.gz ODIMFVFCYLDRQO-UHFFFAOYSA-N 1 0 300.512 3.291 20 70 DGIDRO CCN(C(=O)[C@@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000159562721 432687060 /nfs/dbraw/zinc/68/70/60/432687060.db2.gz MIAUMJCOYWPDIR-DGCLKSJQSA-N 1 0 314.351 3.224 20 70 DGIDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]c(C)cc2C)cc1 ZINC000159554048 432687262 /nfs/dbraw/zinc/68/72/62/432687262.db2.gz VNXPLTYWXNKDES-UHFFFAOYSA-N 1 0 313.445 3.403 20 70 DGIDRO COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000159642305 432690103 /nfs/dbraw/zinc/69/01/03/432690103.db2.gz KQKACTLZVORWDQ-OAHLLOKOSA-N 1 0 313.397 3.398 20 70 DGIDRO CCO[C@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000159625463 432690692 /nfs/dbraw/zinc/69/06/92/432690692.db2.gz QYWIXJDIKSGOKL-SFHVURJKSA-N 1 0 318.461 3.193 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+]CCCN1c2ccccc2OCC1=O ZINC000159686270 432691990 /nfs/dbraw/zinc/69/19/90/432691990.db2.gz ALRUNCMPNOAHRH-INIZCTEOSA-N 1 0 324.424 3.461 20 70 DGIDRO O=C(C1CC[NH2+]CC1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881177 432747926 /nfs/dbraw/zinc/74/79/26/432747926.db2.gz VATYJQITKDTTEF-UHFFFAOYSA-N 1 0 320.864 3.121 20 70 DGIDRO COc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)c2ccccc12 ZINC000160929661 432750083 /nfs/dbraw/zinc/75/00/83/432750083.db2.gz WNFUOMSYCUTYRP-CYBMUJFWSA-N 1 0 300.402 3.024 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000160911579 432750129 /nfs/dbraw/zinc/75/01/29/432750129.db2.gz HHPFAZVNKXJQDG-NSHDSACASA-N 1 0 316.417 3.219 20 70 DGIDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000160980363 432752207 /nfs/dbraw/zinc/75/22/07/432752207.db2.gz GEJKHOVERCXABW-GFCCVEGCSA-N 1 0 317.458 3.294 20 70 DGIDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1cccs1 ZINC000160978886 432753222 /nfs/dbraw/zinc/75/32/22/432753222.db2.gz RVMLWWOUEBUDCI-OAHLLOKOSA-N 1 0 318.442 3.114 20 70 DGIDRO c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000161006889 432754171 /nfs/dbraw/zinc/75/41/71/432754171.db2.gz AETPSZZIEOMSKA-LJQANCHMSA-N 1 0 321.468 3.366 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@H](C)c1cnccn1)c1ccc2c(c1)OCCO2 ZINC000161025471 432754621 /nfs/dbraw/zinc/75/46/21/432754621.db2.gz HEGXUODQGMKUFB-FZKQIMNGSA-N 1 0 313.401 3.296 20 70 DGIDRO Cc1ccc([C@H](C)C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000161050061 432755653 /nfs/dbraw/zinc/75/56/53/432755653.db2.gz WYPKAUMNHSJAFI-CXAGYDPISA-N 1 0 300.377 3.054 20 70 DGIDRO CC[C@@H](C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[NH+](C)C ZINC000161049084 432756504 /nfs/dbraw/zinc/75/65/04/432756504.db2.gz OEYKNASVJMPMPN-SFHVURJKSA-N 1 0 311.429 3.124 20 70 DGIDRO O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000161071878 432757338 /nfs/dbraw/zinc/75/73/38/432757338.db2.gz SXSAZWQBZVUFRM-WOJBJXKFSA-N 1 0 322.452 3.271 20 70 DGIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000161095993 432759002 /nfs/dbraw/zinc/75/90/02/432759002.db2.gz WVVUCKDMQSVDGX-HNAYVOBHSA-N 1 0 322.412 3.042 20 70 DGIDRO CC[NH+](CC)Cc1cccc(NC2CCC(NC(C)=O)CC2)c1 ZINC000161091315 432759099 /nfs/dbraw/zinc/75/90/99/432759099.db2.gz INVBXMKZDOCWHS-UHFFFAOYSA-N 1 0 317.477 3.388 20 70 DGIDRO CC1(C)CC(NC(=O)Cc2ccc(O)cc2Cl)CC(C)(C)[NH2+]1 ZINC000161133353 432760806 /nfs/dbraw/zinc/76/08/06/432760806.db2.gz APQYKOADUCDTJV-UHFFFAOYSA-N 1 0 324.852 3.014 20 70 DGIDRO C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Sc1ccccc1 ZINC000161118794 432761452 /nfs/dbraw/zinc/76/14/52/432761452.db2.gz KAZQHNZXBLZCAA-WZYMTQMTSA-N 1 0 318.486 3.204 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000161217863 432766540 /nfs/dbraw/zinc/76/65/40/432766540.db2.gz IRAAHASWRWZCPQ-GFCCVEGCSA-N 1 0 322.355 3.337 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCCOc2ccc(F)cc2)CC1 ZINC000161276842 432770606 /nfs/dbraw/zinc/77/06/06/432770606.db2.gz MPUCVLQVFBRDBC-UHFFFAOYSA-N 1 0 322.424 3.022 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2nccc(C(F)(F)F)n2)C1 ZINC000161308619 432770909 /nfs/dbraw/zinc/77/09/09/432770909.db2.gz DOOJHTUBGMIMLW-GFCCVEGCSA-N 1 0 316.371 3.275 20 70 DGIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161293862 432772141 /nfs/dbraw/zinc/77/21/41/432772141.db2.gz ZXJNYZXBGZQSEQ-CYBMUJFWSA-N 1 0 320.864 3.262 20 70 DGIDRO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000161391815 432776119 /nfs/dbraw/zinc/77/61/19/432776119.db2.gz SGULIFACVSSKRX-HOCLYGCPSA-N 1 0 308.853 3.265 20 70 DGIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000161382930 432776315 /nfs/dbraw/zinc/77/63/15/432776315.db2.gz KSIJMNMHCZSRMK-OAHLLOKOSA-N 1 0 310.463 3.130 20 70 DGIDRO CN(c1ccccc1)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161405733 432777722 /nfs/dbraw/zinc/77/77/22/432777722.db2.gz KCXLCUJHDSEFJW-UHFFFAOYSA-N 1 0 315.505 3.463 20 70 DGIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccccc1OC(F)(F)F ZINC000161431700 432777883 /nfs/dbraw/zinc/77/78/83/432777883.db2.gz XQVBRWDTKJGZHH-NSHDSACASA-N 1 0 302.340 3.330 20 70 DGIDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCOC1 ZINC000161425662 432778272 /nfs/dbraw/zinc/77/82/72/432778272.db2.gz IKCLPZGDGBYKHQ-BHDSKKPTSA-N 1 0 304.217 3.041 20 70 DGIDRO CC(C)(C[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1F ZINC000161410454 432778306 /nfs/dbraw/zinc/77/83/06/432778306.db2.gz QAVXXOHRDLGYJM-UHFFFAOYSA-N 1 0 307.409 3.379 20 70 DGIDRO Cc1ccccc1C1(C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161406356 432778395 /nfs/dbraw/zinc/77/83/95/432778395.db2.gz ZHMIPXWQPPPCKU-UHFFFAOYSA-N 1 0 301.430 3.302 20 70 DGIDRO Cc1nccn1CCCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000161444765 432780104 /nfs/dbraw/zinc/78/01/04/432780104.db2.gz KPDMVCJOWXOROY-UHFFFAOYSA-N 1 0 312.461 3.184 20 70 DGIDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161456053 432780180 /nfs/dbraw/zinc/78/01/80/432780180.db2.gz BICIRHGXEOTJQW-XEZPLFJOSA-N 1 0 308.853 3.433 20 70 DGIDRO CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000160638295 432731793 /nfs/dbraw/zinc/73/17/93/432731793.db2.gz OOTNDTLAEVZVFR-IXDOHACOSA-N 1 0 304.409 3.014 20 70 DGIDRO CC1(C)C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CCO1 ZINC000160612205 432732710 /nfs/dbraw/zinc/73/27/10/432732710.db2.gz UOABFXCPUHYULL-CYBMUJFWSA-N 1 0 303.381 3.263 20 70 DGIDRO C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Br)cc1 ZINC000160800508 432742251 /nfs/dbraw/zinc/74/22/51/432742251.db2.gz SSRKQMCBMDQXGP-UHFFFAOYSA-N 1 0 310.191 3.166 20 70 DGIDRO CN(CCc1ccccc1)Cc1nnc(-c2ccccc2)n1C ZINC000160803923 432743077 /nfs/dbraw/zinc/74/30/77/432743077.db2.gz IFAXYBPWIXXZSF-UHFFFAOYSA-N 1 0 306.413 3.157 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000160814702 432744660 /nfs/dbraw/zinc/74/46/60/432744660.db2.gz SQBZONUECYUSMH-BQFCYCMXSA-N 1 0 319.493 3.325 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NCCc1ccccc1 ZINC000159419253 292792495 /nfs/dbraw/zinc/79/24/95/292792495.db2.gz OXPUMWQFWCJERZ-DLBZAZTESA-N 1 0 310.441 3.393 20 70 DGIDRO CC(C)[C@@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159674896 292797999 /nfs/dbraw/zinc/79/79/99/292797999.db2.gz RTYYVUIROBYNBG-OAHLLOKOSA-N 1 0 306.475 3.191 20 70 DGIDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000159852536 292801642 /nfs/dbraw/zinc/80/16/42/292801642.db2.gz WHASEZSQLRJHKR-HNAYVOBHSA-N 1 0 315.461 3.203 20 70 DGIDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1)C(C)(C)c1ccccc1 ZINC000160073171 292806939 /nfs/dbraw/zinc/80/69/39/292806939.db2.gz QQTQMPOMPWNIIH-INIZCTEOSA-N 1 0 310.441 3.259 20 70 DGIDRO C[C@@H](Cc1ccccc1F)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160058977 292806283 /nfs/dbraw/zinc/80/62/83/292806283.db2.gz ILHHJIYZUAOHEM-HNNXBMFYSA-N 1 0 320.452 3.337 20 70 DGIDRO C[NH+]1CCC(Oc2ccc(NCc3ccsc3)cn2)CC1 ZINC000160154526 292809010 /nfs/dbraw/zinc/80/90/10/292809010.db2.gz BZYFVSZMJOZLES-UHFFFAOYSA-N 1 0 303.431 3.228 20 70 DGIDRO CC(C)n1cccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000161082485 292828235 /nfs/dbraw/zinc/82/82/35/292828235.db2.gz HLIFKNVAAZENON-KRWDZBQOSA-N 1 0 317.408 3.241 20 70 DGIDRO COc1cc(C[NH2+][C@@H](C)CC(F)(F)F)cc(OC)c1OC ZINC000160664879 533889339 /nfs/dbraw/zinc/88/93/39/533889339.db2.gz NUDGJSDIEZMPDF-VIFPVBQESA-N 1 0 307.312 3.143 20 70 DGIDRO C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000161481332 534191982 /nfs/dbraw/zinc/19/19/82/534191982.db2.gz PGBPNAXFQFPSSC-RDJZCZTQSA-N 1 0 320.502 3.109 20 70 DGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000161193786 521603213 /nfs/dbraw/zinc/60/32/13/521603213.db2.gz QRRBVPQFPOHYGF-LPHOPBHVSA-N 1 0 312.461 3.397 20 70 DGIDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1ccc(OC(F)F)cc1 ZINC000160359728 522744199 /nfs/dbraw/zinc/74/41/99/522744199.db2.gz NPTWYWDENAIVMK-OCCSQVGLSA-N 1 0 319.417 3.443 20 70 DGIDRO CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)OCCO2 ZINC000160512818 522863227 /nfs/dbraw/zinc/86/32/27/522863227.db2.gz YLQHJKDFACAJCW-OAGGEKHMSA-N 1 0 305.418 3.050 20 70 DGIDRO C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160390906 524315343 /nfs/dbraw/zinc/31/53/43/524315343.db2.gz QFFMYOGZDVKNPQ-RVKKMQEKSA-N 1 0 315.461 3.089 20 70 DGIDRO C[C@@H](C1CC1)N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160390655 524318438 /nfs/dbraw/zinc/31/84/38/524318438.db2.gz QFFMYOGZDVKNPQ-VKJFTORMSA-N 1 0 315.461 3.089 20 70 DGIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160492505 525413135 /nfs/dbraw/zinc/41/31/35/525413135.db2.gz PSAITJQHTBDXAW-QEORTHHSSA-N 1 0 316.445 3.118 20 70 DGIDRO O=C(CC1(CCc2ccccc2)CCCC1)N1CC[NH2+]CC1 ZINC000159423039 526328096 /nfs/dbraw/zinc/32/80/96/526328096.db2.gz IGGSWYYYGJYNBE-UHFFFAOYSA-N 1 0 300.446 3.002 20 70 DGIDRO CC(C)(C(=O)NCC1([NH3+])CCCCC1)c1ccccc1Cl ZINC000159549606 527517328 /nfs/dbraw/zinc/51/73/28/527517328.db2.gz QRILZPJZZYZWMF-UHFFFAOYSA-N 1 0 308.853 3.395 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cnn(CCC(C)C)c1C ZINC000161356015 529342920 /nfs/dbraw/zinc/34/29/20/529342920.db2.gz AHVYFYFYWRUGNI-CQSZACIVSA-N 1 0 323.485 3.089 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000160091149 529343548 /nfs/dbraw/zinc/34/35/48/529343548.db2.gz OSBBVQYIJRQSFT-CABCVRRESA-N 1 0 306.450 3.229 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1F ZINC000160177219 546059452 /nfs/dbraw/zinc/05/94/52/546059452.db2.gz RKTIVTHESHTWCZ-GUYCJALGSA-N 1 0 304.409 3.410 20 70 DGIDRO C[C@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccncc1 ZINC000160399288 546059665 /nfs/dbraw/zinc/05/96/65/546059665.db2.gz ZLMMEVYEAKPCPR-OAHLLOKOSA-N 1 0 311.429 3.318 20 70 DGIDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160331718 546060129 /nfs/dbraw/zinc/06/01/29/546060129.db2.gz UOPNRCMUDSFCBD-OAHLLOKOSA-N 1 0 323.234 3.248 20 70 DGIDRO CCOc1cc2c(cc1C[NH2+][C@H]1CCOC(C)(C)C1)O[C@@H](C)C2 ZINC000160535488 546060980 /nfs/dbraw/zinc/06/09/80/546060980.db2.gz LYUJXKYJZQEUGQ-BBRMVZONSA-N 1 0 319.445 3.456 20 70 DGIDRO Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160765706 546062641 /nfs/dbraw/zinc/06/26/41/546062641.db2.gz YNNRMZUYDHDBQI-UONOGXRCSA-N 1 0 315.442 3.118 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000160831372 546062788 /nfs/dbraw/zinc/06/27/88/546062788.db2.gz DGXVQPWMRIZNMY-CHWSQXEVSA-N 1 0 300.358 3.072 20 70 DGIDRO COC[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000160904306 546063200 /nfs/dbraw/zinc/06/32/00/546063200.db2.gz HWVWIDRCHYTCGU-QGZVFWFLSA-N 1 0 323.864 3.403 20 70 DGIDRO COC[C@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000160904190 546063520 /nfs/dbraw/zinc/06/35/20/546063520.db2.gz HWVWIDRCHYTCGU-KRWDZBQOSA-N 1 0 323.864 3.403 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCSc2ccccc2Cl)C1 ZINC000160953899 546063861 /nfs/dbraw/zinc/06/38/61/546063861.db2.gz YUTWXEQVJGNOHY-RYUDHWBXSA-N 1 0 312.866 3.208 20 70 DGIDRO Cc1nc(-c2cccs2)sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161007715 546064702 /nfs/dbraw/zinc/06/47/02/546064702.db2.gz QJVBWNNSRYSXQC-MNOVXSKESA-N 1 0 321.471 3.180 20 70 DGIDRO Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161010086 546064765 /nfs/dbraw/zinc/06/47/65/546064765.db2.gz IMXYYVDPWVRYMC-HZPDHXFCSA-N 1 0 309.413 3.057 20 70 DGIDRO Cc1c2cc(F)ccc2sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161063703 546064983 /nfs/dbraw/zinc/06/49/83/546064983.db2.gz GBDHFDNCLAGEQK-NWDGAFQWSA-N 1 0 306.406 3.349 20 70 DGIDRO C[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)[C@H]1C[NH3+] ZINC000161207549 546065679 /nfs/dbraw/zinc/06/56/79/546065679.db2.gz PWWJCFNBQSJGIE-GWCFXTLKSA-N 1 0 306.406 3.240 20 70 DGIDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161207071 546066176 /nfs/dbraw/zinc/06/61/76/546066176.db2.gz TZTAPXZEOAVROX-PWSUYJOCSA-N 1 0 306.406 3.240 20 70 DGIDRO CC[N@H+](CCCCS(C)(=O)=O)[C@@H](C)c1ccc(F)cc1 ZINC000161485898 546069375 /nfs/dbraw/zinc/06/93/75/546069375.db2.gz KOQAYJYROUKCOE-ZDUSSCGKSA-N 1 0 301.427 3.033 20 70 DGIDRO Cc1cccc(C2(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCCC2)c1 ZINC000161471827 546069492 /nfs/dbraw/zinc/06/94/92/546069492.db2.gz IWROPMVJQUQGLI-SJORKVTESA-N 1 0 300.446 3.193 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)c(F)c(C)c1)CC2 ZINC000160569633 282118768 /nfs/dbraw/zinc/11/87/68/282118768.db2.gz ONMQXWIIYUHQSE-DOMZBBRYSA-N 1 0 302.397 3.008 20 70 DGIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc(N2CCOC2=O)c1 ZINC000159574900 186128627 /nfs/dbraw/zinc/12/86/27/186128627.db2.gz XVIPNGMINSIOFB-TZMCWYRMSA-N 1 0 306.431 3.189 20 70 DGIDRO C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159584374 186128824 /nfs/dbraw/zinc/12/88/24/186128824.db2.gz WYXWBGIGDUWXMT-HIFRSBDPSA-N 1 0 317.351 3.221 20 70 DGIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1cnn(Cc2ccccc2)c1 ZINC000159624395 186131276 /nfs/dbraw/zinc/13/12/76/186131276.db2.gz FIRHHTLJDPRPBC-PBHICJAKSA-N 1 0 301.459 3.478 20 70 DGIDRO CC(=O)NC1CCC([NH2+][C@@H](COCC(C)C)c2ccco2)CC1 ZINC000161393769 197491678 /nfs/dbraw/zinc/49/16/78/197491678.db2.gz QLLPWLQWNLXJMC-JCYILVPMSA-N 1 0 322.449 3.030 20 70 DGIDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000160988066 197454453 /nfs/dbraw/zinc/45/44/53/197454453.db2.gz SUPZFGJRBBDYLJ-VHSXEESVSA-N 1 0 301.217 3.170 20 70 DGIDRO Cc1cc(NC(=O)[C@H](C)SCC[NH+](C(C)C)C(C)C)on1 ZINC000161049049 197459913 /nfs/dbraw/zinc/45/99/13/197459913.db2.gz MWGZNPITUVJHDY-ZDUSSCGKSA-N 1 0 313.467 3.162 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccc2c(c1)OCCO2 ZINC000161018769 197457569 /nfs/dbraw/zinc/45/75/69/197457569.db2.gz FFECVPFGVQEBSK-DDUZABMNSA-N 1 0 305.418 3.170 20 70 DGIDRO Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000161005495 197456359 /nfs/dbraw/zinc/45/63/59/197456359.db2.gz UUPVOBQVEJLJJX-LJQANCHMSA-N 1 0 308.425 3.278 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)NCC1(c2cccs2)CCCCC1 ZINC000160497857 197416215 /nfs/dbraw/zinc/41/62/15/197416215.db2.gz FORYTUDHZFEFQP-AWEZNQCLSA-N 1 0 306.475 3.208 20 70 DGIDRO O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)[C@@H]1CCC[NH2+]1 ZINC000160497971 197415661 /nfs/dbraw/zinc/41/56/61/197415661.db2.gz KKJKIIOITRBTDJ-INIZCTEOSA-N 1 0 321.380 3.109 20 70 DGIDRO CC[C@@H](C[NH2+][C@@H](CC)c1cnn(C)c1)Oc1ccccc1F ZINC000160304209 197398753 /nfs/dbraw/zinc/39/87/53/197398753.db2.gz INMHJHSZIRWTEE-HOCLYGCPSA-N 1 0 305.397 3.458 20 70 DGIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nnc(C2CC2)s1 ZINC000160225899 197393880 /nfs/dbraw/zinc/39/38/80/197393880.db2.gz HNBVINNDHMJYQY-WFASDCNBSA-N 1 0 314.458 3.348 20 70 DGIDRO Cc1ncc([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c(C)n1 ZINC000160119610 197387435 /nfs/dbraw/zinc/38/74/35/197387435.db2.gz WABGWUQXJDEYPG-CYBMUJFWSA-N 1 0 316.424 3.015 20 70 DGIDRO COc1ccccc1/C=C(/C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000160031911 197381172 /nfs/dbraw/zinc/38/11/72/197381172.db2.gz OWUVERUBOIAWJN-GHRIWEEISA-N 1 0 324.424 3.089 20 70 DGIDRO CCCN1CCC([N@H+](C)CCC(=O)c2ccc(C)cc2)CC1 ZINC000159994501 197378710 /nfs/dbraw/zinc/37/87/10/197378710.db2.gz YQKLMDAFBJKZGN-UHFFFAOYSA-N 1 0 302.462 3.374 20 70 DGIDRO COc1cc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000159967367 197376668 /nfs/dbraw/zinc/37/66/68/197376668.db2.gz MLEJRTCADIWRFP-JSGCOSHPSA-N 1 0 323.433 3.321 20 70 DGIDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000159955306 197376173 /nfs/dbraw/zinc/37/61/73/197376173.db2.gz DCXVBSSKCZPVED-UKRRQHHQSA-N 1 0 307.434 3.182 20 70 DGIDRO CC(C)([NH3+])CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000159926300 197374248 /nfs/dbraw/zinc/37/42/48/197374248.db2.gz HSWLBTIUFNCFTD-MRXNPFEDSA-N 1 0 314.454 3.374 20 70 DGIDRO C[C@@H](C[NH2+][C@@H](C)c1cncc(F)c1)N1CCc2sccc2C1 ZINC000159871666 197370264 /nfs/dbraw/zinc/37/02/64/197370264.db2.gz PAQWXWRKKUFIIX-STQMWFEESA-N 1 0 319.449 3.380 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000159814655 197366438 /nfs/dbraw/zinc/36/64/38/197366438.db2.gz KAXDGDZARCQGNO-INIZCTEOSA-N 1 0 317.477 3.090 20 70 DGIDRO FC(F)Oc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159489194 197357627 /nfs/dbraw/zinc/35/76/27/197357627.db2.gz KCRQPZLEONQRAA-KKUMJFAQSA-N 1 0 309.356 3.335 20 70 DGIDRO CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159511694 197359385 /nfs/dbraw/zinc/35/93/85/197359385.db2.gz QZKBVVVECSPTNI-QGTPRVQTSA-N 1 0 317.429 3.141 20 70 DGIDRO c1coc(-c2nc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cs2)c1 ZINC000159466164 197355837 /nfs/dbraw/zinc/35/58/37/197355837.db2.gz DJBLXAUBFGTDPZ-CFVMTHIKSA-N 1 0 316.426 3.450 20 70 DGIDRO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCCSC1)CC2 ZINC000159637816 284931808 /nfs/dbraw/zinc/93/18/08/284931808.db2.gz UGYMSZPXZHZLJK-TXKKKEFDSA-N 1 0 316.470 3.304 20 70 DGIDRO COCCN(C)CC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000159427724 284960347 /nfs/dbraw/zinc/96/03/47/284960347.db2.gz SSVVJOHXRPNCFZ-AWEZNQCLSA-N 1 0 317.260 3.149 20 70 DGIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000159974495 400732616 /nfs/dbraw/zinc/73/26/16/400732616.db2.gz WVDXMOKWOQDZCT-UHFFFAOYSA-N 1 0 322.302 3.093 20 70 DGIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000160833854 400736802 /nfs/dbraw/zinc/73/68/02/400736802.db2.gz JVCHSYQWBRXOJK-BLLLJJGKSA-N 1 0 304.365 3.164 20 70 DGIDRO Cc1ccc(C[C@H](C)NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])s1 ZINC000159794596 228243229 /nfs/dbraw/zinc/24/32/29/228243229.db2.gz SLENSWOZMFUOPZ-RCBQFDQVSA-N 1 0 308.491 3.401 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160693460 228248193 /nfs/dbraw/zinc/24/81/93/228248193.db2.gz SDIVDCVMJDLICC-YPMHNXCESA-N 1 0 320.742 3.202 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160693589 228248300 /nfs/dbraw/zinc/24/83/00/228248300.db2.gz SDIVDCVMJDLICC-DGCLKSJQSA-N 1 0 320.742 3.202 20 70 DGIDRO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000161039193 228250202 /nfs/dbraw/zinc/25/02/02/228250202.db2.gz RERDGWONEYQULA-KXBFYZLASA-N 1 0 308.425 3.483 20 70 DGIDRO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000161481732 228252794 /nfs/dbraw/zinc/25/27/94/228252794.db2.gz PGBPNAXFQFPSSC-NVXWUHKLSA-N 1 0 320.502 3.109 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159547615 274526263 /nfs/dbraw/zinc/52/62/63/274526263.db2.gz FPKQSBWKIYSDJS-AAEUAGOBSA-N 1 0 304.459 3.463 20 70 DGIDRO CC[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(C)cc1 ZINC000160201088 287816152 /nfs/dbraw/zinc/81/61/52/287816152.db2.gz YTGBQCJIHQVHAG-NXHRZFHOSA-N 1 0 300.446 3.232 20 70 DGIDRO CN1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000160896993 276888120 /nfs/dbraw/zinc/88/81/20/276888120.db2.gz UJBJFSVIBMLBNL-UHFFFAOYSA-N 1 0 322.880 3.072 20 70 DGIDRO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[C@@H]1c1ccccc1 ZINC000161233614 287968833 /nfs/dbraw/zinc/96/88/33/287968833.db2.gz OWBGUKVMHCIFOJ-BGTYHANMSA-N 1 0 300.446 3.156 20 70 DGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000161106719 278370508 /nfs/dbraw/zinc/37/05/08/278370508.db2.gz HQAJJISYTXWBFD-BMFZPTHFSA-N 1 0 307.457 3.415 20 70 DGIDRO CC(C)[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc2c(c1)OCCO2 ZINC000161475194 280326927 /nfs/dbraw/zinc/32/69/27/280326927.db2.gz NUSFFWWGXADFGL-QAPCUYQASA-N 1 0 305.418 3.314 20 70 DGIDRO CCCCO[C@H](C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000217134757 432654881 /nfs/dbraw/zinc/65/48/81/432654881.db2.gz RIUZOUAMVVCFKX-HZPDHXFCSA-N 1 0 312.498 3.208 20 70 DGIDRO Cc1cccc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1C ZINC000218681372 432660023 /nfs/dbraw/zinc/66/00/23/432660023.db2.gz ZPSMZRLAOKDFHA-HXUWFJFHSA-N 1 0 324.468 3.029 20 70 DGIDRO Cc1cccc(CC[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000159843349 432697347 /nfs/dbraw/zinc/69/73/47/432697347.db2.gz VONDLEWYDVONLQ-IBGZPJMESA-N 1 0 308.425 3.147 20 70 DGIDRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000159852709 432699582 /nfs/dbraw/zinc/69/95/82/432699582.db2.gz WHASEZSQLRJHKR-KXBFYZLASA-N 1 0 315.461 3.203 20 70 DGIDRO CC[C@@H](C(=O)Nc1cccc(OCc2cscn2)c1)[NH+](C)C ZINC000159995732 432702355 /nfs/dbraw/zinc/70/23/55/432702355.db2.gz RDBCFADRXGEJQU-HNNXBMFYSA-N 1 0 319.430 3.001 20 70 DGIDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)s1 ZINC000159970082 432702581 /nfs/dbraw/zinc/70/25/81/432702581.db2.gz CSXVZFNYFGHKKY-UHFFFAOYSA-N 1 0 309.479 3.072 20 70 DGIDRO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000160161692 432708599 /nfs/dbraw/zinc/70/85/99/432708599.db2.gz JQCLHKKNJZHXBL-SFHVURJKSA-N 1 0 309.413 3.087 20 70 DGIDRO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)n1 ZINC000160207692 432710925 /nfs/dbraw/zinc/71/09/25/432710925.db2.gz CEVWYFMBRLWGRC-JZXOWHBKSA-N 1 0 315.461 3.316 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000160244576 432711527 /nfs/dbraw/zinc/71/15/27/432711527.db2.gz GKUICQGLURUWJI-WDEREUQCSA-N 1 0 305.390 3.053 20 70 DGIDRO CCC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(OC)cc1 ZINC000160337588 432715305 /nfs/dbraw/zinc/71/53/05/432715305.db2.gz JZDHKADPKMTSNK-RDJZCZTQSA-N 1 0 314.433 3.041 20 70 DGIDRO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1F ZINC000160405124 432719114 /nfs/dbraw/zinc/71/91/14/432719114.db2.gz UXWSDUUHNKRNSI-ZWNOBZJWSA-N 1 0 320.437 3.113 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1F ZINC000160406928 432719948 /nfs/dbraw/zinc/71/99/48/432719948.db2.gz WASSXNHYGIKCPH-LSDHHAIUSA-N 1 0 306.425 3.166 20 70 DGIDRO CC(C)(C)[C@H]([NH3+])C(=O)NCC1(c2cccs2)CCCCC1 ZINC000160496491 432722944 /nfs/dbraw/zinc/72/29/44/432722944.db2.gz BXVIAZQEXLBPTJ-CQSZACIVSA-N 1 0 308.491 3.440 20 70 DGIDRO CC(C)S(=O)(=O)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000160476642 432723347 /nfs/dbraw/zinc/72/33/47/432723347.db2.gz PSKQAJLPPLEGFQ-UHFFFAOYSA-N 1 0 323.502 3.154 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OC(C)C)cc1)CC2 ZINC000160491323 432723723 /nfs/dbraw/zinc/72/37/23/432723723.db2.gz GQJXJOTVXKUANO-BBRMVZONSA-N 1 0 314.433 3.039 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)CC2 ZINC000160483680 432723766 /nfs/dbraw/zinc/72/37/66/432723766.db2.gz WTDDDWKAANNNNB-HZMBPMFUSA-N 1 0 324.350 3.271 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](CCc1ccccc1)C(C)C)CC2 ZINC000160515100 432725137 /nfs/dbraw/zinc/72/51/37/432725137.db2.gz CMTIZRUFMKGPGN-QZTJIDSGSA-N 1 0 312.461 3.148 20 70 DGIDRO CC1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCCC1 ZINC000159469556 432683667 /nfs/dbraw/zinc/68/36/67/432683667.db2.gz JJBCWHWXDDWZPK-INIZCTEOSA-N 1 0 307.482 3.227 20 70 DGIDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CCC(F)(F)CC1 ZINC000159447282 432683729 /nfs/dbraw/zinc/68/37/29/432683729.db2.gz ICJMQVILLKLVRV-HZSPNIEDSA-N 1 0 316.436 3.295 20 70 DGIDRO Cc1ccc(-c2nnc([C@H](C)[N@H+](C)C[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000159518400 432686994 /nfs/dbraw/zinc/68/69/94/432686994.db2.gz XFNAXDILCJHKTD-BPUTZDHNSA-N 1 0 315.417 3.199 20 70 DGIDRO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159588255 432688337 /nfs/dbraw/zinc/68/83/37/432688337.db2.gz JIKUDLLIMHLHMF-WMZOPIPTSA-N 1 0 314.429 3.482 20 70 DGIDRO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000159642444 432689987 /nfs/dbraw/zinc/68/99/87/432689987.db2.gz KQKACTLZVORWDQ-HNNXBMFYSA-N 1 0 313.397 3.398 20 70 DGIDRO C[C@H](C(=O)NCC[NH2+]C1CCCCCC1)c1cccc(F)c1 ZINC000159629647 432690702 /nfs/dbraw/zinc/69/07/02/432690702.db2.gz OBKKGVDQQXDGPI-AWEZNQCLSA-N 1 0 306.425 3.358 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCN1c2ccccc2OCC1=O ZINC000159686129 432691293 /nfs/dbraw/zinc/69/12/93/432691293.db2.gz ALRUNCMPNOAHRH-MRXNPFEDSA-N 1 0 324.424 3.461 20 70 DGIDRO CCOc1ccccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160913964 432750180 /nfs/dbraw/zinc/75/01/80/432750180.db2.gz SJSOETRGEFLQJR-UHFFFAOYSA-N 1 0 312.413 3.077 20 70 DGIDRO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160940931 432751237 /nfs/dbraw/zinc/75/12/37/432751237.db2.gz QUHZTXMEKWJRHD-CYBMUJFWSA-N 1 0 323.483 3.452 20 70 DGIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)CCC=C(C)C)cc1 ZINC000160968535 432751746 /nfs/dbraw/zinc/75/17/46/432751746.db2.gz UHPWFXXHWLMCNF-OAHLLOKOSA-N 1 0 304.434 3.036 20 70 DGIDRO Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000160984593 432752874 /nfs/dbraw/zinc/75/28/74/432752874.db2.gz MCIBEYFSIACVAS-QZTJIDSGSA-N 1 0 300.446 3.438 20 70 DGIDRO CCc1cc(=O)[nH]c(CN(C2CC2)[C@@H]2CCc3ccccc32)n1 ZINC000160980633 432753093 /nfs/dbraw/zinc/75/30/93/432753093.db2.gz BEOMFOFFPTYSHX-QGZVFWFLSA-N 1 0 309.413 3.397 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000160975053 432753288 /nfs/dbraw/zinc/75/32/88/432753288.db2.gz PQWSJTJHZNQWPR-CYBMUJFWSA-N 1 0 312.866 3.381 20 70 DGIDRO CC(C)[C@H]([NH2+][C@H](C)c1cnccn1)c1ccc2c(c1)OCCO2 ZINC000161025327 432753932 /nfs/dbraw/zinc/75/39/32/432753932.db2.gz HEGXUODQGMKUFB-ACJLOTCBSA-N 1 0 313.401 3.296 20 70 DGIDRO CCC(CC)(C[NH2+]CCC(=O)c1ccc(C)cc1)C(=O)OC ZINC000161001604 432754008 /nfs/dbraw/zinc/75/40/08/432754008.db2.gz IEKBEEBRJQHVJB-UHFFFAOYSA-N 1 0 305.418 3.137 20 70 DGIDRO CC(C)c1ncc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000161079505 432757368 /nfs/dbraw/zinc/75/73/68/432757368.db2.gz CASKFDGBDQMMLM-ZDUSSCGKSA-N 1 0 309.479 3.117 20 70 DGIDRO c1snnc1CN1CCC(c2nc3ccccc3o2)CC1 ZINC000161065400 432758597 /nfs/dbraw/zinc/75/85/97/432758597.db2.gz IJBIHEFUYUNKBH-UHFFFAOYSA-N 1 0 300.387 3.059 20 70 DGIDRO COC[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(C)C ZINC000161143547 432761006 /nfs/dbraw/zinc/76/10/06/432761006.db2.gz KZHZGLLJKUUNSG-CRAIPNDOSA-N 1 0 305.418 3.170 20 70 DGIDRO c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161136106 432761282 /nfs/dbraw/zinc/76/12/82/432761282.db2.gz PLDYGUYYHWRJST-INIZCTEOSA-N 1 0 311.381 3.461 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)on1 ZINC000161203547 432766977 /nfs/dbraw/zinc/76/69/77/432766977.db2.gz KHQKXIYZGUWXEO-LBPRGKRZSA-N 1 0 307.438 3.181 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000161263824 432769779 /nfs/dbraw/zinc/76/97/79/432769779.db2.gz AYIGXTNWESYOGT-UHFFFAOYSA-N 1 0 317.477 3.010 20 70 DGIDRO COc1ccc(C[N@H+](C)CCCCn2ccnc2C)c(OC)c1 ZINC000161288340 432771814 /nfs/dbraw/zinc/77/18/14/432771814.db2.gz ODTNFJPPSHUTEE-UHFFFAOYSA-N 1 0 317.433 3.121 20 70 DGIDRO Oc1cccc(N2CCN(Cc3csc(C4CC4)n3)CC2)c1 ZINC000161319515 432773842 /nfs/dbraw/zinc/77/38/42/432773842.db2.gz QNCBLFJNZXZLHA-UHFFFAOYSA-N 1 0 315.442 3.048 20 70 DGIDRO Clc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161399446 432775890 /nfs/dbraw/zinc/77/58/90/432775890.db2.gz JZVJQSHDJAIPNZ-CQSZACIVSA-N 1 0 316.836 3.257 20 70 DGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COCc1ccc(OC)cc1 ZINC000161415942 432777445 /nfs/dbraw/zinc/77/74/45/432777445.db2.gz QZWWNLHICUDUTK-AOIWGVFYSA-N 1 0 321.461 3.131 20 70 DGIDRO CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)s1 ZINC000161417645 432777869 /nfs/dbraw/zinc/77/78/69/432777869.db2.gz IUXIXZBHHWCZKZ-DOMZBBRYSA-N 1 0 304.459 3.441 20 70 DGIDRO COC(=O)[C@H](C)[C@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000161439677 432779093 /nfs/dbraw/zinc/77/90/93/432779093.db2.gz UNUUZIWSYYEIOE-AEFFLSMTSA-N 1 0 318.461 3.002 20 70 DGIDRO OC[C@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000161445002 432779310 /nfs/dbraw/zinc/77/93/10/432779310.db2.gz OJTSJTALZVBJTG-MAUKXSAKSA-N 1 0 315.388 3.405 20 70 DGIDRO c1[nH]c2ccccc2c1CCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161443222 432780124 /nfs/dbraw/zinc/78/01/24/432780124.db2.gz NVNXSNGXIHYEFI-UHFFFAOYSA-N 1 0 314.429 3.376 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)NCc1ccccc1F ZINC000160542414 432726980 /nfs/dbraw/zinc/72/69/80/432726980.db2.gz VIRHOXLAIRQXDT-UHFFFAOYSA-N 1 0 309.429 3.089 20 70 DGIDRO [NH3+]CCCCCCC(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000160544918 432727180 /nfs/dbraw/zinc/72/71/80/432727180.db2.gz SGAGXRRBTPTZJQ-UHFFFAOYSA-N 1 0 308.853 3.397 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1OC ZINC000160544811 432727233 /nfs/dbraw/zinc/72/72/33/432727233.db2.gz BDGCBRZFWKHCJG-UHFFFAOYSA-N 1 0 307.438 3.281 20 70 DGIDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCOC1 ZINC000160547022 432727609 /nfs/dbraw/zinc/72/76/09/432727609.db2.gz SITBQMSSGUECAI-QZTJIDSGSA-N 1 0 317.477 3.367 20 70 DGIDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cnccn1 ZINC000160606055 432730344 /nfs/dbraw/zinc/73/03/44/432730344.db2.gz SSIHFLUPFKSEGD-LBPRGKRZSA-N 1 0 302.447 3.095 20 70 DGIDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c[nH]1 ZINC000160627485 432731702 /nfs/dbraw/zinc/73/17/02/432731702.db2.gz KRDYTJVEJXOODF-UHFFFAOYSA-N 1 0 324.327 3.035 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)on1 ZINC000160636910 432732054 /nfs/dbraw/zinc/73/20/54/432732054.db2.gz HDFMFHHCORYMDM-LSDHHAIUSA-N 1 0 321.465 3.430 20 70 DGIDRO Fc1cc(Cl)ccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000160668629 432733876 /nfs/dbraw/zinc/73/38/76/432733876.db2.gz YMYXYEXSKIYVNY-AWEZNQCLSA-N 1 0 301.789 3.154 20 70 DGIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000160725483 432737477 /nfs/dbraw/zinc/73/74/77/432737477.db2.gz SNXQFYHOQGHWGR-KSSFIOAISA-N 1 0 314.404 3.081 20 70 DGIDRO CCCC[C@@H](COC)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160735318 432738711 /nfs/dbraw/zinc/73/87/11/432738711.db2.gz KDRZYKOOEQVZRR-ROUUACIJSA-N 1 0 318.461 3.145 20 70 DGIDRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000160772616 432740456 /nfs/dbraw/zinc/74/04/56/432740456.db2.gz BBYWLAPSUVDXKC-CVEARBPZSA-N 1 0 321.428 3.253 20 70 DGIDRO CCOC(=O)N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160809036 432741865 /nfs/dbraw/zinc/74/18/65/432741865.db2.gz IFSZZZPRWBLYNL-UHFFFAOYSA-N 1 0 314.788 3.190 20 70 DGIDRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000160810375 432742038 /nfs/dbraw/zinc/74/20/38/432742038.db2.gz KEKRNQREPJAQGL-QGZVFWFLSA-N 1 0 318.367 3.436 20 70 DGIDRO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCCCC1 ZINC000160807310 432742708 /nfs/dbraw/zinc/74/27/08/432742708.db2.gz POSOCPWRQGYBHO-OAHLLOKOSA-N 1 0 307.482 3.368 20 70 DGIDRO C[C@H](CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161485138 432781956 /nfs/dbraw/zinc/78/19/56/432781956.db2.gz YWLSJIPFYAEZMI-YUELXQCFSA-N 1 0 324.415 3.447 20 70 DGIDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)ccn1 ZINC000160815394 432744582 /nfs/dbraw/zinc/74/45/82/432744582.db2.gz UNMDGUNNYQVWEU-CABCVRRESA-N 1 0 316.449 3.479 20 70 DGIDRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160865665 432745288 /nfs/dbraw/zinc/74/52/88/432745288.db2.gz NMPUKXRVNVKSDG-INMHGKMJSA-N 1 0 307.482 3.223 20 70 DGIDRO CC[C@H](C)OCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000160860027 432745448 /nfs/dbraw/zinc/74/54/48/432745448.db2.gz FCMHBEZSXUIQFQ-HNNXBMFYSA-N 1 0 304.434 3.079 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2cccc(F)c2)CC1 ZINC000161499927 432783764 /nfs/dbraw/zinc/78/37/64/432783764.db2.gz KXOSXLQVIXTOGN-UHFFFAOYSA-N 1 0 306.425 3.140 20 70 DGIDRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CC[NH2+]C(C)C ZINC000159526815 292794379 /nfs/dbraw/zinc/79/43/79/292794379.db2.gz HNVXJWZMUJVOOV-UHFFFAOYSA-N 1 0 319.449 3.306 20 70 DGIDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000160333585 292811998 /nfs/dbraw/zinc/81/19/98/292811998.db2.gz LCOSCPAPPXHCKW-CYBMUJFWSA-N 1 0 310.869 3.223 20 70 DGIDRO Cc1nc2ccccn2c1C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000160517809 292816179 /nfs/dbraw/zinc/81/61/79/292816179.db2.gz DCMGVYVRUQTCEB-KUHUBIRLSA-N 1 0 315.461 3.310 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000161183426 292830842 /nfs/dbraw/zinc/83/08/42/292830842.db2.gz NJOFLSZPPYEHKL-YOEHRIQHSA-N 1 0 306.475 3.080 20 70 DGIDRO Cc1ccsc1CCCC(=O)NCC[NH+]1CCCCCC1 ZINC000161285708 534460724 /nfs/dbraw/zinc/46/07/24/534460724.db2.gz MLMMMFLPIZZMED-UHFFFAOYSA-N 1 0 308.491 3.371 20 70 DGIDRO CC[C@H]([NH2+]CCCOCc1ccc(OC)cc1)[C@H]1CCOC1 ZINC000161094105 522587514 /nfs/dbraw/zinc/58/75/14/522587514.db2.gz XQGCFWDNOICOMI-WMZOPIPTSA-N 1 0 307.434 3.007 20 70 DGIDRO CC[C@](C)(CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160329715 523471111 /nfs/dbraw/zinc/47/11/11/523471111.db2.gz MQYXYADAUSNZAH-OAHLLOKOSA-N 1 0 323.234 3.248 20 70 DGIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160363744 524604776 /nfs/dbraw/zinc/60/47/76/524604776.db2.gz RMXNDJZVROKPAK-CFVMTHIKSA-N 1 0 322.399 3.059 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3c(s1)CCCC3)CC2 ZINC000160412408 527196226 /nfs/dbraw/zinc/19/62/26/527196226.db2.gz ZRZNGLMJDVJFRW-FZMZJTMJSA-N 1 0 316.474 3.192 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(F)c(CSC)c2)CC1 ZINC000161074699 528288817 /nfs/dbraw/zinc/28/88/17/528288817.db2.gz GGELPPWWDSAXQN-UHFFFAOYSA-N 1 0 324.465 3.150 20 70 DGIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCn2cccc2)C1 ZINC000159489162 529216590 /nfs/dbraw/zinc/21/65/90/529216590.db2.gz SEPFLMOJTVWTDJ-KRWDZBQOSA-N 1 0 319.493 3.285 20 70 DGIDRO Cc1nccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1Cl ZINC000159576915 546055095 /nfs/dbraw/zinc/05/50/95/546055095.db2.gz WFQKPTDSSYVJQG-NSHDSACASA-N 1 0 310.829 3.039 20 70 DGIDRO C[C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccncc1 ZINC000159909539 546057446 /nfs/dbraw/zinc/05/74/46/546057446.db2.gz BFDPOHZMSRVQBV-AEFFLSMTSA-N 1 0 315.461 3.052 20 70 DGIDRO Cc1nccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1Cl ZINC000159916353 546057580 /nfs/dbraw/zinc/05/75/80/546057580.db2.gz CUXWSFGONCDNTR-ZDUSSCGKSA-N 1 0 324.856 3.382 20 70 DGIDRO CCn1nccc1C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000159910238 546057630 /nfs/dbraw/zinc/05/76/30/546057630.db2.gz SYFTVEIDBSTWND-UHFFFAOYSA-N 1 0 323.444 3.054 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000160772979 546062447 /nfs/dbraw/zinc/06/24/47/546062447.db2.gz NISRYGMWIVEZKM-KGLIPLIRSA-N 1 0 309.413 3.112 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000160772603 546062955 /nfs/dbraw/zinc/06/29/55/546062955.db2.gz NISRYGMWIVEZKM-UONOGXRCSA-N 1 0 309.413 3.112 20 70 DGIDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1cccc(-n2cnnn2)c1 ZINC000160957167 546063488 /nfs/dbraw/zinc/06/34/88/546063488.db2.gz ZLCSIOWHPLNOCC-WMLDXEAASA-N 1 0 319.412 3.043 20 70 DGIDRO C[C@@H](NC(=O)c1cc2ccc(F)cc2s1)[C@@H]1CCC[NH2+]C1 ZINC000161199622 546065835 /nfs/dbraw/zinc/06/58/35/546065835.db2.gz SXKNWFKXJQVZPR-ZYHUDNBSSA-N 1 0 306.406 3.158 20 70 DGIDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000161202821 546065883 /nfs/dbraw/zinc/06/58/83/546065883.db2.gz DMBYVUIILHOYIG-JTQLQIEISA-N 1 0 306.406 3.240 20 70 DGIDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000161209641 546065941 /nfs/dbraw/zinc/06/59/41/546065941.db2.gz JWGJHMMGYTUACB-DGCLKSJQSA-N 1 0 306.406 3.288 20 70 DGIDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000161209885 546066214 /nfs/dbraw/zinc/06/62/14/546066214.db2.gz JWGJHMMGYTUACB-WCQYABFASA-N 1 0 306.406 3.288 20 70 DGIDRO CCC[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[NH+](C)C ZINC000161249833 546066830 /nfs/dbraw/zinc/06/68/30/546066830.db2.gz BNQUBHCBJDCBTO-AWEZNQCLSA-N 1 0 318.417 3.397 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000161400252 546068575 /nfs/dbraw/zinc/06/85/75/546068575.db2.gz LYOFDXHXQAGKKF-JKSUJKDBSA-N 1 0 304.409 3.024 20 70 DGIDRO CCC1CCC([N@H+](CCCCS(C)(=O)=O)C2CC2)CC1 ZINC000161494041 546069303 /nfs/dbraw/zinc/06/93/03/546069303.db2.gz NGSAPMIEEYUJOE-UHFFFAOYSA-N 1 0 301.496 3.244 20 70 DGIDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159547108 186126229 /nfs/dbraw/zinc/12/62/29/186126229.db2.gz KLAQWLGHCOLQQW-HNNXBMFYSA-N 1 0 304.434 3.137 20 70 DGIDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159571498 186127790 /nfs/dbraw/zinc/12/77/90/186127790.db2.gz QMNNOINDBNSANJ-DZGCQCFKSA-N 1 0 306.475 3.451 20 70 DGIDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCSC2)nnn1-c1ccc(F)cc1 ZINC000159597899 186129367 /nfs/dbraw/zinc/12/93/67/186129367.db2.gz GAHOMQLQGZRQBI-RISCZKNCSA-N 1 0 320.437 3.261 20 70 DGIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(N2CCCC2=O)cc1 ZINC000159633605 186132189 /nfs/dbraw/zinc/13/21/89/186132189.db2.gz OJQQEQSCNLKJHG-HIFRSBDPSA-N 1 0 304.459 3.360 20 70 DGIDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159747630 186139462 /nfs/dbraw/zinc/13/94/62/186139462.db2.gz SDAIATIYSJFODY-WWGRRREGSA-N 1 0 324.852 3.068 20 70 DGIDRO CCCCCOc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161327005 197486050 /nfs/dbraw/zinc/48/60/50/197486050.db2.gz ZQDDETJFRRSKLM-INIZCTEOSA-N 1 0 304.434 3.080 20 70 DGIDRO c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161251619 197478664 /nfs/dbraw/zinc/47/86/64/197478664.db2.gz FWEMXONNWANWPW-INIZCTEOSA-N 1 0 301.430 3.382 20 70 DGIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CCO1 ZINC000160592550 197424871 /nfs/dbraw/zinc/42/48/71/197424871.db2.gz LDSBLKYKWAWHJL-OAHLLOKOSA-N 1 0 313.401 3.316 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)CSCc1ccc(Cl)cc1 ZINC000160488957 197416561 /nfs/dbraw/zinc/41/65/61/197416561.db2.gz MOQHXIKBKHXENH-UHFFFAOYSA-N 1 0 314.882 3.207 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000160071308 197383398 /nfs/dbraw/zinc/38/33/98/197383398.db2.gz RJYJEVKQAYUPAF-CABCVRRESA-N 1 0 319.449 3.024 20 70 DGIDRO CC[N@H+](C)CCNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000160145257 197389007 /nfs/dbraw/zinc/38/90/07/197389007.db2.gz RQUPKHYNVOREAL-GFCCVEGCSA-N 1 0 316.367 3.267 20 70 DGIDRO C[C@@H]([NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C1CC1 ZINC000160104454 197386617 /nfs/dbraw/zinc/38/66/17/197386617.db2.gz PIHQCWWORGHRDW-QWHCGFSZSA-N 1 0 308.853 3.465 20 70 DGIDRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000159895422 197371530 /nfs/dbraw/zinc/37/15/30/197371530.db2.gz HHHMNZKVBNQBJE-JKSUJKDBSA-N 1 0 310.445 3.353 20 70 DGIDRO COc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000159868580 197370029 /nfs/dbraw/zinc/37/00/29/197370029.db2.gz PRAWDDJQMOTIFH-UHFFFAOYSA-N 1 0 322.412 3.123 20 70 DGIDRO CS[C@@H](C)CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000159771240 197363043 /nfs/dbraw/zinc/36/30/43/197363043.db2.gz DLMIRIQIAMOWCK-AWEZNQCLSA-N 1 0 308.491 3.285 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000159764780 197362931 /nfs/dbraw/zinc/36/29/31/197362931.db2.gz CFHAEYJHZNCIIA-HNNXBMFYSA-N 1 0 317.454 3.390 20 70 DGIDRO c1coc(-c2nc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cs2)c1 ZINC000159466407 197355890 /nfs/dbraw/zinc/35/58/90/197355890.db2.gz DJBLXAUBFGTDPZ-YUELXQCFSA-N 1 0 316.426 3.450 20 70 DGIDRO c1coc(-c2nc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cs2)c1 ZINC000159466286 197355856 /nfs/dbraw/zinc/35/58/56/197355856.db2.gz DJBLXAUBFGTDPZ-QEJZJMRPSA-N 1 0 316.426 3.450 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000159374181 197348985 /nfs/dbraw/zinc/34/89/85/197348985.db2.gz HDADHGHBKHOERS-OAHLLOKOSA-N 1 0 317.454 3.390 20 70 DGIDRO CC[C@H](C)[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000159365503 197347338 /nfs/dbraw/zinc/34/73/38/197347338.db2.gz FVPRNHMBWPHINV-WDYCEAGBSA-N 1 0 300.446 3.028 20 70 DGIDRO CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000159495052 400729680 /nfs/dbraw/zinc/72/96/80/400729680.db2.gz CWAUEFQNWPPWPZ-DNVCBOLYSA-N 1 0 314.473 3.343 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000159773384 400731352 /nfs/dbraw/zinc/73/13/52/400731352.db2.gz ROXWVEFSSRKDSZ-INIZCTEOSA-N 1 0 324.440 3.124 20 70 DGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC[S@@](=O)c2ccccc2)n1 ZINC000160383477 400733544 /nfs/dbraw/zinc/73/35/44/400733544.db2.gz UZHWDEQVGGTWHP-AVRDEDQJSA-N 1 0 314.454 3.335 20 70 DGIDRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000160772754 164590368 /nfs/dbraw/zinc/59/03/68/164590368.db2.gz BBYWLAPSUVDXKC-HOTGVXAUSA-N 1 0 321.428 3.253 20 70 DGIDRO C[N@@H+]1CCN(Cc2ccc(F)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000216738589 165376559 /nfs/dbraw/zinc/37/65/59/165376559.db2.gz YIJNWWTXFIFBSF-GOSISDBHSA-N 1 0 302.368 3.454 20 70 DGIDRO Cc1ccc(C[C@H](C)NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])s1 ZINC000159794332 228243566 /nfs/dbraw/zinc/24/35/66/228243566.db2.gz SLENSWOZMFUOPZ-MAZHCROVSA-N 1 0 308.491 3.401 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCNCc1ccccc1OC(F)(F)F ZINC000217399882 432654613 /nfs/dbraw/zinc/65/46/13/432654613.db2.gz NOKXKNGYFYOVET-LBPRGKRZSA-N 1 0 304.356 3.405 20 70 DGIDRO C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218250517 432658792 /nfs/dbraw/zinc/65/87/92/432658792.db2.gz PAXHXHWUIKPUFO-NWDGAFQWSA-N 1 0 311.451 3.193 20 70 DGIDRO CCc1ccc([C@@H](CNC(=O)c2[nH]c(C)cc2C)[NH+](C)C)cc1 ZINC000159653985 432692178 /nfs/dbraw/zinc/69/21/78/432692178.db2.gz TVPMUSUGCLTYNA-QGZVFWFLSA-N 1 0 313.445 3.227 20 70 DGIDRO C[C@H]1CCCC[C@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159708516 432693831 /nfs/dbraw/zinc/69/38/31/432693831.db2.gz VXJIQEAHBXYACP-DOTOQJQBSA-N 1 0 309.498 3.329 20 70 DGIDRO Fc1cccc(C[N@H+](CCOCC2CC2)C[C@H]2CCCO2)c1 ZINC000159862128 432698851 /nfs/dbraw/zinc/69/88/51/432698851.db2.gz PUJBIPOTLGUTCR-GOSISDBHSA-N 1 0 307.409 3.233 20 70 DGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCOCC(F)(F)F)n1 ZINC000159960657 432703651 /nfs/dbraw/zinc/70/36/51/432703651.db2.gz WHKBICBCEUSWRJ-AWEZNQCLSA-N 1 0 302.340 3.496 20 70 DGIDRO CC(C)CSCCC[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000160012325 432704822 /nfs/dbraw/zinc/70/48/22/432704822.db2.gz LLOIQDLERHHWBG-CQSZACIVSA-N 1 0 319.478 3.092 20 70 DGIDRO OCC1(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000160109747 432706419 /nfs/dbraw/zinc/70/64/19/432706419.db2.gz MICJVARLQLXBDV-UHFFFAOYSA-N 1 0 303.324 3.228 20 70 DGIDRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]C1 ZINC000160082883 432706785 /nfs/dbraw/zinc/70/67/85/432706785.db2.gz VMWNEFURPCNXNH-ZANVPECISA-N 1 0 313.228 3.097 20 70 DGIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCSC(C)(C)C2)CC1 ZINC000160088693 432706969 /nfs/dbraw/zinc/70/69/69/432706969.db2.gz RTDBUQRECJHLFC-UHFFFAOYSA-N 1 0 312.523 3.099 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000160187222 432710545 /nfs/dbraw/zinc/71/05/45/432710545.db2.gz QUCSLCYEYUALEG-WDEREUQCSA-N 1 0 323.380 3.350 20 70 DGIDRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160220586 432712465 /nfs/dbraw/zinc/71/24/65/432712465.db2.gz KSFXZKFAKALJHD-HUUCEWRRSA-N 1 0 322.399 3.061 20 70 DGIDRO CCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000160313330 432713897 /nfs/dbraw/zinc/71/38/97/432713897.db2.gz XRRPMBSXTXDKRN-NVXWUHKLSA-N 1 0 303.450 3.089 20 70 DGIDRO CCC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(OC)cc1 ZINC000160337462 432715937 /nfs/dbraw/zinc/71/59/37/432715937.db2.gz JZDHKADPKMTSNK-NVXWUHKLSA-N 1 0 314.433 3.041 20 70 DGIDRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000160329931 432716192 /nfs/dbraw/zinc/71/61/92/432716192.db2.gz UGRAJAQZMAAGKC-SFHVURJKSA-N 1 0 310.397 3.116 20 70 DGIDRO CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160342748 432716415 /nfs/dbraw/zinc/71/64/15/432716415.db2.gz MUHORULTGZTZNP-NVXWUHKLSA-N 1 0 303.450 3.091 20 70 DGIDRO Cc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1Cl ZINC000160392235 432717992 /nfs/dbraw/zinc/71/79/92/432717992.db2.gz UFPMUYSKRQSWEL-OAHLLOKOSA-N 1 0 306.837 3.253 20 70 DGIDRO CCc1ccc(/C=C/C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)o1 ZINC000160419493 432718910 /nfs/dbraw/zinc/71/89/10/432718910.db2.gz CXSBNDJBXZQORJ-KBWBKQHASA-N 1 0 304.434 3.044 20 70 DGIDRO CCc1nn(C)c(CC)c1CN(C)Cc1ccccc1OC ZINC000160427139 432719301 /nfs/dbraw/zinc/71/93/01/432719301.db2.gz RUSBNZVVKORJSZ-UHFFFAOYSA-N 1 0 301.434 3.186 20 70 DGIDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C(C)C ZINC000160546765 432726654 /nfs/dbraw/zinc/72/66/54/432726654.db2.gz GHPQOQFWJVPRFO-KRWDZBQOSA-N 1 0 305.466 3.223 20 70 DGIDRO CCOc1c(C[NH2+][C@@H]2CCOC(C)(C)C2)c(C)nn1CC(C)C ZINC000160452664 432721245 /nfs/dbraw/zinc/72/12/45/432721245.db2.gz DPWQSSAQWSZTRM-OAHLLOKOSA-N 1 0 323.481 3.293 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC000160526913 432724517 /nfs/dbraw/zinc/72/45/17/432724517.db2.gz GHIAOCDGHJCXHT-OAHLLOKOSA-N 1 0 300.402 3.283 20 70 DGIDRO O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)[C@H]1CCC[NH2+]1 ZINC000160498114 432724607 /nfs/dbraw/zinc/72/46/07/432724607.db2.gz KKJKIIOITRBTDJ-MRXNPFEDSA-N 1 0 321.380 3.109 20 70 DGIDRO COC[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000160517302 432725277 /nfs/dbraw/zinc/72/52/77/432725277.db2.gz SZFOOPYNHOALPP-AWEZNQCLSA-N 1 0 303.324 3.099 20 70 DGIDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000159411948 432684236 /nfs/dbraw/zinc/68/42/36/432684236.db2.gz NZLHDZBOTPWKGJ-NSHDSACASA-N 1 0 305.249 3.222 20 70 DGIDRO C[N@H+](CCc1cccc(OC(F)(F)F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159624579 432689654 /nfs/dbraw/zinc/68/96/54/432689654.db2.gz RQTLENWPBVHKDL-ZFWWWQNUSA-N 1 0 317.351 3.221 20 70 DGIDRO CCOc1ccc(CC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159618066 432689977 /nfs/dbraw/zinc/68/99/77/432689977.db2.gz FBEKTOXFKARZLP-UHFFFAOYSA-N 1 0 318.461 3.056 20 70 DGIDRO CC(C)[NH+](CCCNC(=O)c1ccc(N(C)C)cc1F)C(C)C ZINC000159664159 432691469 /nfs/dbraw/zinc/69/14/69/432691469.db2.gz KBTWXBZBXSYQGM-UHFFFAOYSA-N 1 0 323.456 3.130 20 70 DGIDRO CC(C)[NH+](CCNC(=O)NC1(c2cccc(F)c2)CC1)C(C)C ZINC000160882149 432746954 /nfs/dbraw/zinc/74/69/54/432746954.db2.gz NQGHSQLRZUAVNG-UHFFFAOYSA-N 1 0 321.440 3.233 20 70 DGIDRO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000160920554 432750097 /nfs/dbraw/zinc/75/00/97/432750097.db2.gz XSAWFJUIOORKRG-MRXNPFEDSA-N 1 0 301.496 3.244 20 70 DGIDRO Cc1cc(NC(=O)CCSCC[NH+](C(C)C)C(C)C)no1 ZINC000160963875 432751453 /nfs/dbraw/zinc/75/14/53/432751453.db2.gz ZODSCLDXVRJEJN-UHFFFAOYSA-N 1 0 313.467 3.164 20 70 DGIDRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC(=O)NC(C)C ZINC000160992249 432752615 /nfs/dbraw/zinc/75/26/15/432752615.db2.gz ZBPQHSHGXNFZAQ-CYBMUJFWSA-N 1 0 314.882 3.325 20 70 DGIDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(-n2cnnn2)cc1 ZINC000160999486 432753155 /nfs/dbraw/zinc/75/31/55/432753155.db2.gz RUFZUJQSEPRCMW-WMLDXEAASA-N 1 0 319.412 3.043 20 70 DGIDRO CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160999573 432753385 /nfs/dbraw/zinc/75/33/85/432753385.db2.gz RYUMUGKWZBCPRC-XWIAVFTESA-N 1 0 303.450 3.168 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 ZINC000161020530 432754195 /nfs/dbraw/zinc/75/41/95/432754195.db2.gz BDHVFQNYMVVPEN-CYBMUJFWSA-N 1 0 320.502 3.335 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc2c(c1)OCCO2 ZINC000161018506 432754208 /nfs/dbraw/zinc/75/42/08/432754208.db2.gz FFECVPFGVQEBSK-JCKWVBRZSA-N 1 0 305.418 3.170 20 70 DGIDRO CC(C)[C@H]([NH2+][C@@H](C)c1cnccn1)c1ccc2c(c1)OCCO2 ZINC000161025085 432754571 /nfs/dbraw/zinc/75/45/71/432754571.db2.gz HEGXUODQGMKUFB-UGSOOPFHSA-N 1 0 313.401 3.296 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)Cc2coc3cc(C)ccc23)CC1 ZINC000161059879 432756474 /nfs/dbraw/zinc/75/64/74/432756474.db2.gz YPWLTRBQLQUTAO-UHFFFAOYSA-N 1 0 314.429 3.132 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000161115476 432759686 /nfs/dbraw/zinc/75/96/86/432759686.db2.gz RDYIVJDQMVJSGF-UHFFFAOYSA-N 1 0 314.473 3.347 20 70 DGIDRO COC(=O)[C@H](c1cccnc1)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000161126666 432761324 /nfs/dbraw/zinc/76/13/24/432761324.db2.gz YTMCDIYDLKBLEE-WBAXXEDZSA-N 1 0 310.397 3.174 20 70 DGIDRO C[C@H](c1cccnc1)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161188909 432764569 /nfs/dbraw/zinc/76/45/69/432764569.db2.gz NYQZTGPTQSLSRP-OAHLLOKOSA-N 1 0 317.477 3.359 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC000161199037 432765826 /nfs/dbraw/zinc/76/58/26/432765826.db2.gz NBSRJVHGVUBSLL-GFCCVEGCSA-N 1 0 319.474 3.109 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC000161212768 432766641 /nfs/dbraw/zinc/76/66/41/432766641.db2.gz SLHCXJWULJHYKE-ZDUSSCGKSA-N 1 0 304.365 3.198 20 70 DGIDRO CCC[N@H+](CCO)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000161220842 432767270 /nfs/dbraw/zinc/76/72/70/432767270.db2.gz GHGOLXCKHQSLFJ-UHFFFAOYSA-N 1 0 313.401 3.038 20 70 DGIDRO CCN(C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C(C)C ZINC000161290328 432771616 /nfs/dbraw/zinc/77/16/16/432771616.db2.gz CPYFMDVYBAWLIH-HNNXBMFYSA-N 1 0 318.465 3.047 20 70 DGIDRO CC[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)Oc1cccc(C)c1 ZINC000161312908 432773679 /nfs/dbraw/zinc/77/36/79/432773679.db2.gz WDVYHJHAQAZQIY-ABHNRTSZSA-N 1 0 318.461 3.189 20 70 DGIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000161401134 432776970 /nfs/dbraw/zinc/77/69/70/432776970.db2.gz HJFXHBACBGDXEX-KSSFIOAISA-N 1 0 312.413 3.072 20 70 DGIDRO OC[C@@H](C[NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000161445120 432779282 /nfs/dbraw/zinc/77/92/82/432779282.db2.gz OJTSJTALZVBJTG-CRAIPNDOSA-N 1 0 315.388 3.405 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000160539217 432727001 /nfs/dbraw/zinc/72/70/01/432727001.db2.gz FXJCUHXMEIWPOC-UHFFFAOYSA-N 1 0 319.449 3.475 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2csc(-c3ccccn3)n2)CCO1 ZINC000160605054 432730416 /nfs/dbraw/zinc/73/04/16/432730416.db2.gz DUHNFRBMGUTIFB-LBPRGKRZSA-N 1 0 303.431 3.252 20 70 DGIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCCC2=O)cc1 ZINC000160612391 432732090 /nfs/dbraw/zinc/73/20/90/432732090.db2.gz ZHIXXUJEQCATJE-KYJSFNMBSA-N 1 0 316.445 3.015 20 70 DGIDRO CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(F)cc1F ZINC000160658602 432734618 /nfs/dbraw/zinc/73/46/18/432734618.db2.gz MTGLROGCBCHBSI-MRXNPFEDSA-N 1 0 312.404 3.116 20 70 DGIDRO C[NH2+]C[C@H](C)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000160725747 432737117 /nfs/dbraw/zinc/73/71/17/432737117.db2.gz SNXQFYHOQGHWGR-KBXCAEBGSA-N 1 0 314.404 3.081 20 70 DGIDRO CC[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000160805795 432742457 /nfs/dbraw/zinc/74/24/57/432742457.db2.gz UULHNIORPSKHBH-CZUORRHYSA-N 1 0 324.852 3.463 20 70 DGIDRO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CCCCC1 ZINC000160807445 432743086 /nfs/dbraw/zinc/74/30/86/432743086.db2.gz POSOCPWRQGYBHO-HNNXBMFYSA-N 1 0 307.482 3.368 20 70 DGIDRO CCC[C@H](NC[C@H](O)C[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000159430813 292792483 /nfs/dbraw/zinc/79/24/83/292792483.db2.gz ZIGMKHMSHVVIHZ-WFASDCNBSA-N 1 0 319.276 3.347 20 70 DGIDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCSC(C)(C)C)C1 ZINC000160768632 290241625 /nfs/dbraw/zinc/24/16/25/290241625.db2.gz KKVLVVLIFJCUDU-CABCVRRESA-N 1 0 312.523 3.241 20 70 DGIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000159994889 292804898 /nfs/dbraw/zinc/80/48/98/292804898.db2.gz UWYKCFMBIAEJDD-NSHDSACASA-N 1 0 300.805 3.292 20 70 DGIDRO CC[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCOC1 ZINC000160023282 292805769 /nfs/dbraw/zinc/80/57/69/292805769.db2.gz FALQSGMRJSUYRE-HUUCEWRRSA-N 1 0 322.415 3.056 20 70 DGIDRO CCSc1ccccc1[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160553080 292817199 /nfs/dbraw/zinc/81/71/99/292817199.db2.gz MONTYADLIRTOKN-SNVBAGLBSA-N 1 0 320.380 3.128 20 70 DGIDRO C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1c(F)cccc1F ZINC000160907635 292823915 /nfs/dbraw/zinc/82/39/15/292823915.db2.gz ICGUWUIOXXAGRD-ZDUSSCGKSA-N 1 0 324.415 3.449 20 70 DGIDRO CCCCCOc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160987298 292825880 /nfs/dbraw/zinc/82/58/80/292825880.db2.gz XEMNBKSJDQRFNG-HNNXBMFYSA-N 1 0 306.450 3.431 20 70 DGIDRO CCC[C@@H](C)[C@H](CC)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000160992451 292826063 /nfs/dbraw/zinc/82/60/63/292826063.db2.gz ANFREVHDYNGIBT-PBHICJAKSA-N 1 0 306.450 3.116 20 70 DGIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(-n2cnnn2)cc1 ZINC000160999251 292826156 /nfs/dbraw/zinc/82/61/56/292826156.db2.gz RUFZUJQSEPRCMW-YOEHRIQHSA-N 1 0 319.412 3.043 20 70 DGIDRO Cc1nc2c(s1)[C@H]([NH2+]CCc1ccc3c(c1)OCO3)CCC2 ZINC000161139710 292828787 /nfs/dbraw/zinc/82/87/87/292828787.db2.gz AVRSTVZGZNVDRF-CYBMUJFWSA-N 1 0 316.426 3.390 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000161184665 292830858 /nfs/dbraw/zinc/83/08/58/292830858.db2.gz KCARDJQHRMXOLU-CQSZACIVSA-N 1 0 310.869 3.317 20 70 DGIDRO CCC[NH+]1CCC(NC(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000161509009 292836294 /nfs/dbraw/zinc/83/62/94/292836294.db2.gz RNNTWBNGZPSBSC-UHFFFAOYSA-N 1 0 312.816 3.392 20 70 DGIDRO Cc1cc2c(ncnc2N2CCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000160427438 301453759 /nfs/dbraw/zinc/45/37/59/301453759.db2.gz WASLAYVNZGIVKS-AWEZNQCLSA-N 1 0 316.474 3.454 20 70 DGIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CCCCC1 ZINC000159489664 303359321 /nfs/dbraw/zinc/35/93/21/303359321.db2.gz LEVADMHMNCQRMJ-KBPBESRZSA-N 1 0 306.837 3.221 20 70 DGIDRO Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1F ZINC000217143945 337245109 /nfs/dbraw/zinc/24/51/09/337245109.db2.gz KTWNGFWXJRGUTL-RVSPLBMKSA-N 1 0 306.425 3.165 20 70 DGIDRO O=C(c1ccc(-c2ccc(F)cc2)o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160332451 534679682 /nfs/dbraw/zinc/67/96/82/534679682.db2.gz QGZSHLBEVAMYKJ-GASCZTMLSA-N 1 0 314.360 3.052 20 70 DGIDRO COc1ccc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159643587 524210469 /nfs/dbraw/zinc/21/04/69/524210469.db2.gz GSVAAWBFCUHRRA-IMJJTQAJSA-N 1 0 307.821 3.396 20 70 DGIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cncs1 ZINC000159983066 525431124 /nfs/dbraw/zinc/43/11/24/525431124.db2.gz TWWILIQUXJDDJI-LLVKDONJSA-N 1 0 321.412 3.458 20 70 DGIDRO Cc1nc(-c2ccccc2)ccc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159569647 534863789 /nfs/dbraw/zinc/86/37/89/534863789.db2.gz RTZMSKNBUXGOGC-UHFFFAOYSA-N 1 0 323.440 3.448 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000160412004 525643198 /nfs/dbraw/zinc/64/31/98/525643198.db2.gz OASULHXOQSDAPU-ZYHUDNBSSA-N 1 0 323.380 3.350 20 70 DGIDRO Cc1ccc(C(=O)CC[N@H+](CCCO)Cc2ccccc2)cc1 ZINC000160300814 526042957 /nfs/dbraw/zinc/04/29/57/526042957.db2.gz LYEBJCBZQLFKJB-UHFFFAOYSA-N 1 0 311.425 3.452 20 70 DGIDRO CCCOc1ccc(CCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159641397 528659395 /nfs/dbraw/zinc/65/93/95/528659395.db2.gz XTGKEFUIEGJAKY-UHFFFAOYSA-N 1 0 318.461 3.186 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000159832269 529029517 /nfs/dbraw/zinc/02/95/17/529029517.db2.gz UNJGEEAOZYGOKE-INIZCTEOSA-N 1 0 303.450 3.102 20 70 DGIDRO Cc1nccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1Cl ZINC000159786462 546056060 /nfs/dbraw/zinc/05/60/60/546056060.db2.gz VIKYEZFRMOIDEE-UHFFFAOYSA-N 1 0 324.856 3.287 20 70 DGIDRO CCC(CC)(CC)CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000159926249 546057393 /nfs/dbraw/zinc/05/73/93/546057393.db2.gz LPBIDVLLOCHYBH-UHFFFAOYSA-N 1 0 318.465 3.130 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cccc(F)c1 ZINC000160150632 546058193 /nfs/dbraw/zinc/05/81/93/546058193.db2.gz RPLTZMAJQZRLQX-GUYCJALGSA-N 1 0 304.409 3.410 20 70 DGIDRO C[C@H](CCCO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160336104 546059730 /nfs/dbraw/zinc/05/97/30/546059730.db2.gz JINKTJNNUQKLMA-LLVKDONJSA-N 1 0 323.234 3.248 20 70 DGIDRO CCN(C(=O)NCCC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160442821 546059982 /nfs/dbraw/zinc/05/99/82/546059982.db2.gz AYYKZZXHAXJGJP-SFHVURJKSA-N 1 0 315.461 3.093 20 70 DGIDRO CC(C)(CCCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160829446 546063058 /nfs/dbraw/zinc/06/30/58/546063058.db2.gz BRTWZUCNCWUPEC-DLBZAZTESA-N 1 0 302.462 3.422 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCSc2ccccc2Cl)C1 ZINC000160954004 546064151 /nfs/dbraw/zinc/06/41/51/546064151.db2.gz YUTWXEQVJGNOHY-VXGBXAGGSA-N 1 0 312.866 3.208 20 70 DGIDRO CCC[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[NH+](C)C ZINC000161249901 546067397 /nfs/dbraw/zinc/06/73/97/546067397.db2.gz BNQUBHCBJDCBTO-CQSZACIVSA-N 1 0 318.417 3.397 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 ZINC000161384667 546068513 /nfs/dbraw/zinc/06/85/13/546068513.db2.gz DPZWLCHEJMHSAI-ROUUACIJSA-N 1 0 324.424 3.265 20 70 DGIDRO C[C@@H](CCc1ccccc1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000217445188 575906372 /nfs/dbraw/zinc/90/63/72/575906372.db2.gz ODKYHYBKCRYTAV-KRWDZBQOSA-N 1 0 317.477 3.183 20 70 DGIDRO C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC000161236008 290687367 /nfs/dbraw/zinc/68/73/67/290687367.db2.gz WERMBRVNTHQEPG-MAUKXSAKSA-N 1 0 300.446 3.028 20 70 DGIDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000159571776 186127936 /nfs/dbraw/zinc/12/79/36/186127936.db2.gz QMNNOINDBNSANJ-ZFWWWQNUSA-N 1 0 306.475 3.451 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1cccc(N2CCOC2=O)c1 ZINC000159575027 186128452 /nfs/dbraw/zinc/12/84/52/186128452.db2.gz XVIPNGMINSIOFB-JSGCOSHPSA-N 1 0 306.431 3.189 20 70 DGIDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1SC ZINC000159669758 186134174 /nfs/dbraw/zinc/13/41/74/186134174.db2.gz UOHLRKSZHMCCHL-XYPHTWIQSA-N 1 0 319.470 3.464 20 70 DGIDRO Cc1ccc(SCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159733354 186137839 /nfs/dbraw/zinc/13/78/39/186137839.db2.gz DSQMHGILNHWTIZ-UHFFFAOYSA-N 1 0 318.486 3.078 20 70 DGIDRO O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]C1 ZINC000160082718 284225291 /nfs/dbraw/zinc/22/52/91/284225291.db2.gz VMWNEFURPCNXNH-RNCFNFMXSA-N 1 0 313.228 3.097 20 70 DGIDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160630405 292818605 /nfs/dbraw/zinc/81/86/05/292818605.db2.gz BISKPIBKHJMZMQ-AWEZNQCLSA-N 1 0 316.367 3.350 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCSCc2ccccc2F)CC1 ZINC000161204554 197474115 /nfs/dbraw/zinc/47/41/15/197474115.db2.gz BQJOUOITYZFROU-UHFFFAOYSA-N 1 0 324.465 3.096 20 70 DGIDRO CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccc2c(c1)OCCO2 ZINC000161018384 197457304 /nfs/dbraw/zinc/45/73/04/197457304.db2.gz FFECVPFGVQEBSK-JOQOYGCGSA-N 1 0 305.418 3.170 20 70 DGIDRO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C[NH2+]CC1CC1 ZINC000160529443 197418965 /nfs/dbraw/zinc/41/89/65/197418965.db2.gz KQVKMAGSDZZTAZ-OAHLLOKOSA-N 1 0 300.446 3.376 20 70 DGIDRO CC[C@H](CC(=O)NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000160129726 197387989 /nfs/dbraw/zinc/38/79/89/197387989.db2.gz NIVCEVYEZLNZMK-HZPDHXFCSA-N 1 0 318.461 3.037 20 70 DGIDRO C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000160104173 197385885 /nfs/dbraw/zinc/38/58/85/197385885.db2.gz GSKXFOUVJZZNKT-ICSRJNTNSA-N 1 0 308.425 3.267 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc2c(c1)OCCCO2 ZINC000159958859 197376562 /nfs/dbraw/zinc/37/65/62/197376562.db2.gz YWIBDDJSQKSDRW-ZFWWWQNUSA-N 1 0 305.418 3.456 20 70 DGIDRO COc1ccc(C[C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000159893183 197371506 /nfs/dbraw/zinc/37/15/06/197371506.db2.gz YWKRGWUTEIZLNM-DYVFJYSZSA-N 1 0 305.443 3.185 20 70 DGIDRO CCn1cc([C@@H](C)[NH2+]C[C@H](C)N2CCc3ccccc3C2)cn1 ZINC000159817020 197366611 /nfs/dbraw/zinc/36/66/11/197366611.db2.gz HOWCXKWHLDJVHN-JKSUJKDBSA-N 1 0 312.461 3.000 20 70 DGIDRO COc1cc2c(cc1OC)C[N@H+](Cc1ccc3c[nH]nc3c1)CC2 ZINC000159775329 197363810 /nfs/dbraw/zinc/36/38/10/197363810.db2.gz XLUQLYJBPGIYKM-UHFFFAOYSA-N 1 0 323.396 3.138 20 70 DGIDRO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000159427907 197353143 /nfs/dbraw/zinc/35/31/43/197353143.db2.gz BMHOLYBKEFNMDQ-QDEZUTFSSA-N 1 0 304.409 3.253 20 70 DGIDRO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000218719284 284785773 /nfs/dbraw/zinc/78/57/73/284785773.db2.gz BYTFKXYVGXLWON-BQFCYCMXSA-N 1 0 318.461 3.047 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000160205615 295611930 /nfs/dbraw/zinc/61/19/30/295611930.db2.gz KOPOPGXNOXMFMR-BXUZGUMPSA-N 1 0 315.866 3.257 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)/C=C/c3ccco3)CC2)CC1 ZINC000161486414 197498546 /nfs/dbraw/zinc/49/85/46/197498546.db2.gz UEKZEBBVPNGNIC-CMDGGOBGSA-N 1 0 316.445 3.452 20 70 DGIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000159453112 285616608 /nfs/dbraw/zinc/61/66/08/285616608.db2.gz CWEUAFICNZGTJN-RUAUBTSSSA-N 1 0 324.852 3.050 20 70 DGIDRO CCOCCC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000159700434 400731417 /nfs/dbraw/zinc/73/14/17/400731417.db2.gz HRRBVKSTUDDCSW-UHFFFAOYSA-N 1 0 305.418 3.243 20 70 DGIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCOCC1CC1 ZINC000160101291 400732237 /nfs/dbraw/zinc/73/22/37/400732237.db2.gz WILTZAXNUQCRBP-UHFFFAOYSA-N 1 0 313.445 3.368 20 70 DGIDRO CC(C)[NH2+]CCC(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000160042551 400732293 /nfs/dbraw/zinc/73/22/93/400732293.db2.gz DEEZKQWLSYCHKO-UHFFFAOYSA-N 1 0 314.832 3.261 20 70 DGIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)CCC(C)C)c2c1 ZINC000160635945 400734679 /nfs/dbraw/zinc/73/46/79/400734679.db2.gz UTYVKSNUORYBPK-UHFFFAOYSA-N 1 0 316.401 3.115 20 70 DGIDRO Cc1cccc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000160662623 400735029 /nfs/dbraw/zinc/73/50/29/400735029.db2.gz HFEMPSZSERVXSS-QGZVFWFLSA-N 1 0 315.461 3.014 20 70 DGIDRO C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])Oc1ccccc1F ZINC000161161131 228250588 /nfs/dbraw/zinc/25/05/88/228250588.db2.gz ISUHWYDURFIJMQ-YCPHGPKFSA-N 1 0 322.424 3.007 20 70 DGIDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCOC1 ZINC000161425785 274250278 /nfs/dbraw/zinc/25/02/78/274250278.db2.gz IKCLPZGDGBYKHQ-BFVZDQMLSA-N 1 0 304.217 3.041 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC2C3CC4CC(C3)CC2C4)CC1 ZINC000161449186 277024353 /nfs/dbraw/zinc/02/43/53/277024353.db2.gz LWQKLPNUQUNGJL-UHFFFAOYSA-N 1 0 304.478 3.096 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1oc2c(cccc2Cl)c1C ZINC000161214592 277278452 /nfs/dbraw/zinc/27/84/52/277278452.db2.gz DZCGKNIFSNITRZ-NSHDSACASA-N 1 0 306.793 3.219 20 70 DGIDRO COc1ccccc1CC[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000159831658 278048501 /nfs/dbraw/zinc/04/85/01/278048501.db2.gz HPEKOJKRSLFDSD-UHFFFAOYSA-N 1 0 309.413 3.326 20 70 DGIDRO C[C@H](C[NH2+][C@@H](C)c1cncs1)N1CCc2sccc2C1 ZINC000159856175 279348487 /nfs/dbraw/zinc/34/84/87/279348487.db2.gz IUWVQNPYLJZYHO-NEPJUHHUSA-N 1 0 307.488 3.302 20 70 DGIDRO Cc1c(C[NH2+][C@H]2CCc3cc(Br)ccc32)cnn1C ZINC000161218235 280227855 /nfs/dbraw/zinc/22/78/55/280227855.db2.gz CABVHAVBGPOKIO-HNNXBMFYSA-N 1 0 320.234 3.268 20 70 DGIDRO C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218250465 432659157 /nfs/dbraw/zinc/65/91/57/432659157.db2.gz PAXHXHWUIKPUFO-VXGBXAGGSA-N 1 0 311.451 3.193 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)on1 ZINC000159719066 432694269 /nfs/dbraw/zinc/69/42/69/432694269.db2.gz IMFADCWXZMQSGA-CYBMUJFWSA-N 1 0 315.417 3.180 20 70 DGIDRO CCOCCC[N@H+](C)Cc1cc(Br)ccc1F ZINC000159755465 432696273 /nfs/dbraw/zinc/69/62/73/432696273.db2.gz ZJZQKDIDMPFUGE-UHFFFAOYSA-N 1 0 304.203 3.447 20 70 DGIDRO Cc1cc2cc(C[NH+]3CCC(CC(N)=O)CC3)oc2cc1C ZINC000159801152 432697779 /nfs/dbraw/zinc/69/77/79/432697779.db2.gz KONRMBFCQMAPNO-UHFFFAOYSA-N 1 0 300.402 3.137 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2cnn(C)c2)c1 ZINC000159872627 432699981 /nfs/dbraw/zinc/69/99/81/432699981.db2.gz LKLCYOYKNQROOD-KRWDZBQOSA-N 1 0 314.433 3.400 20 70 DGIDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159937548 432701266 /nfs/dbraw/zinc/70/12/66/432701266.db2.gz BEHLRGOMHNCRLD-CQSZACIVSA-N 1 0 320.481 3.167 20 70 DGIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCOCC(F)(F)F)n1 ZINC000159960783 432702937 /nfs/dbraw/zinc/70/29/37/432702937.db2.gz WHKBICBCEUSWRJ-CQSZACIVSA-N 1 0 302.340 3.496 20 70 DGIDRO CCCC(=O)N[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000160187911 432709606 /nfs/dbraw/zinc/70/96/06/432709606.db2.gz OZTFXORXKWLSRN-QGZVFWFLSA-N 1 0 318.461 3.009 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000160187355 432710431 /nfs/dbraw/zinc/71/04/31/432710431.db2.gz QUCSLCYEYUALEG-GHMZBOCLSA-N 1 0 323.380 3.350 20 70 DGIDRO CC(C)CO[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160170762 432710482 /nfs/dbraw/zinc/71/04/82/432710482.db2.gz VKCPSTZWNFMCPS-QGZVFWFLSA-N 1 0 324.509 3.018 20 70 DGIDRO O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160220338 432712387 /nfs/dbraw/zinc/71/23/87/432712387.db2.gz KSFXZKFAKALJHD-CABCVRRESA-N 1 0 322.399 3.061 20 70 DGIDRO CSc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC000160289200 432713116 /nfs/dbraw/zinc/71/31/16/432713116.db2.gz QPKIBDVKMGCLRQ-ZDUSSCGKSA-N 1 0 324.465 3.398 20 70 DGIDRO CCCO[C@@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)CC1 ZINC000160276439 432714450 /nfs/dbraw/zinc/71/44/50/432714450.db2.gz LNGSONAGRYZBRP-MRXNPFEDSA-N 1 0 301.434 3.424 20 70 DGIDRO CCc1ccc(/C=C/C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000160271659 432714564 /nfs/dbraw/zinc/71/45/64/432714564.db2.gz QBDJMGIWNAYDGT-SCOAYWHSSA-N 1 0 316.445 3.332 20 70 DGIDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000160333723 432715969 /nfs/dbraw/zinc/71/59/69/432715969.db2.gz OYHBGVPUJXDHQR-ZDUSSCGKSA-N 1 0 310.869 3.223 20 70 DGIDRO CC[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000160496818 432723585 /nfs/dbraw/zinc/72/35/85/432723585.db2.gz FSZHRTBLANETFI-DOMZBBRYSA-N 1 0 317.351 3.489 20 70 DGIDRO C[C@H]1C[C@H](NCc2ccc(N3CCCCCC3)nc2)CC[N@@H+]1C ZINC000160519380 432724110 /nfs/dbraw/zinc/72/41/10/432724110.db2.gz NGRDUHNHEUSORH-FUHWJXTLSA-N 1 0 316.493 3.034 20 70 DGIDRO CC(C)(C)c1nsc(N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000159389506 432681504 /nfs/dbraw/zinc/68/15/04/432681504.db2.gz CFYVBAZOZWWNEI-ZDUSSCGKSA-N 1 0 308.495 3.290 20 70 DGIDRO CC(C)c1ncc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)s1 ZINC000159399115 432682444 /nfs/dbraw/zinc/68/24/44/432682444.db2.gz QWWRCMKMOWFYDM-ZDUSSCGKSA-N 1 0 309.479 3.118 20 70 DGIDRO CCc1ccc([C@@H](C)CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159420225 432684224 /nfs/dbraw/zinc/68/42/24/432684224.db2.gz PYKIHVLYVNUFHF-JCGIZDLHSA-N 1 0 300.446 3.096 20 70 DGIDRO C[C@H](CC(=O)NCC(C)(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000159488086 432685633 /nfs/dbraw/zinc/68/56/33/432685633.db2.gz DHNZSKKWEXXSSJ-AEFFLSMTSA-N 1 0 316.489 3.397 20 70 DGIDRO C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@@H]1CCC[C@@H]1O ZINC000159483504 432685782 /nfs/dbraw/zinc/68/57/82/432685782.db2.gz ZYZMIPKHSRWBAF-FZMZJTMJSA-N 1 0 316.214 3.181 20 70 DGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccnn1C1CCCC1 ZINC000159605860 432688263 /nfs/dbraw/zinc/68/82/63/432688263.db2.gz JJPMAVNKFBHNDD-HOCLYGCPSA-N 1 0 316.449 3.201 20 70 DGIDRO C[C@H](C(=O)N[C@@H](C)CC(=O)c1cccs1)[NH+]1CCCCCC1 ZINC000160902269 432749858 /nfs/dbraw/zinc/74/98/58/432749858.db2.gz MUTPCIPFRWVFIZ-UONOGXRCSA-N 1 0 322.474 3.090 20 70 DGIDRO C[C@@H](C(=O)N1CCC(OC(C)(C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000160967940 432751549 /nfs/dbraw/zinc/75/15/49/432751549.db2.gz XFPUSKIPJLRRGN-ZNMIVQPWSA-N 1 0 310.482 3.054 20 70 DGIDRO CC(C)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC000160992267 432752399 /nfs/dbraw/zinc/75/23/99/432752399.db2.gz VJFQVDPOMMBDSF-HNNXBMFYSA-N 1 0 317.458 3.299 20 70 DGIDRO Cc1cccc(-c2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)cc2)c1 ZINC000161005613 432754252 /nfs/dbraw/zinc/75/42/52/432754252.db2.gz UUPVOBQVEJLJJX-IBGZPJMESA-N 1 0 308.425 3.278 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000161074454 432758003 /nfs/dbraw/zinc/75/80/03/432758003.db2.gz IGEWAHRDPPQDMW-AWEZNQCLSA-N 1 0 314.429 3.384 20 70 DGIDRO CC(C)c1ncc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000161079612 432758502 /nfs/dbraw/zinc/75/85/02/432758502.db2.gz CASKFDGBDQMMLM-CYBMUJFWSA-N 1 0 309.479 3.117 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)CCSc2ccccc2F)CC1 ZINC000161077881 432758551 /nfs/dbraw/zinc/75/85/51/432758551.db2.gz RRVLQCSKRWIALU-UHFFFAOYSA-N 1 0 324.465 3.156 20 70 DGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000161148630 432763662 /nfs/dbraw/zinc/76/36/62/432763662.db2.gz VEPBVFUFPLPECF-HUUCEWRRSA-N 1 0 318.461 3.120 20 70 DGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000161157444 432763830 /nfs/dbraw/zinc/76/38/30/432763830.db2.gz ZEQSGQPAGFFAPZ-KBXCAEBGSA-N 1 0 303.450 3.170 20 70 DGIDRO Cc1ccc2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2n1 ZINC000161214031 432765960 /nfs/dbraw/zinc/76/59/60/432765960.db2.gz ARWAMIXILTUEMO-UHFFFAOYSA-N 1 0 311.429 3.005 20 70 DGIDRO CCC[N@H+](CCO)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000161219664 432766827 /nfs/dbraw/zinc/76/68/27/432766827.db2.gz WZQXEMVLUSAFOH-UHFFFAOYSA-N 1 0 300.402 3.387 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161238779 432767611 /nfs/dbraw/zinc/76/76/11/432767611.db2.gz YSISCONYDWHUQV-ZFWWWQNUSA-N 1 0 306.425 3.295 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCSc2ccccc2)CC1 ZINC000161249091 432768293 /nfs/dbraw/zinc/76/82/93/432768293.db2.gz YKJVTECBBJTIND-UHFFFAOYSA-N 1 0 306.475 3.206 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161238643 432768437 /nfs/dbraw/zinc/76/84/37/432768437.db2.gz YSISCONYDWHUQV-DZGCQCFKSA-N 1 0 306.425 3.295 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000161261749 432769321 /nfs/dbraw/zinc/76/93/21/432769321.db2.gz CSMSSJSEMXLJID-ABHNRTSZSA-N 1 0 300.446 3.171 20 70 DGIDRO C[C@H]1C[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000161294170 432772199 /nfs/dbraw/zinc/77/21/99/432772199.db2.gz LSUGDSSFPMWEJX-VNNIEUKBSA-N 1 0 306.837 3.281 20 70 DGIDRO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000161425874 432777376 /nfs/dbraw/zinc/77/73/76/432777376.db2.gz OKISFLGWYORYNR-ZBFHGGJFSA-N 1 0 315.413 3.131 20 70 DGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCc1ccc(OC)cc1 ZINC000161416152 432778223 /nfs/dbraw/zinc/77/82/23/432778223.db2.gz QZWWNLHICUDUTK-ZIFCJYIRSA-N 1 0 321.461 3.131 20 70 DGIDRO OC[C@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000161445241 432780138 /nfs/dbraw/zinc/78/01/38/432780138.db2.gz OJTSJTALZVBJTG-YJBOKZPZSA-N 1 0 315.388 3.405 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1nc2ccccc2n1C1CCCC1 ZINC000160531934 432727439 /nfs/dbraw/zinc/72/74/39/432727439.db2.gz YAPVTUMBZWCWJR-CYBMUJFWSA-N 1 0 312.417 3.232 20 70 DGIDRO C[C@@H](c1nc(Cc2ccccc2)no1)N1CCS[C@H](C)C1 ZINC000160585074 432730092 /nfs/dbraw/zinc/73/00/92/432730092.db2.gz NBNAMGXMJLSPNK-OLZOCXBDSA-N 1 0 303.431 3.159 20 70 DGIDRO COc1cc(C[NH2+][C@H](C)c2cncc(F)c2)cc(OC)c1OC ZINC000160658229 432733645 /nfs/dbraw/zinc/73/36/45/432733645.db2.gz VIVZFAPLTPAJRW-LLVKDONJSA-N 1 0 320.364 3.097 20 70 DGIDRO Cc1ccc(C(=O)CC[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000160691575 432735604 /nfs/dbraw/zinc/73/56/04/432735604.db2.gz UWOJYZZVYHKRRH-LJQANCHMSA-N 1 0 309.409 3.160 20 70 DGIDRO Fc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000160766862 432741031 /nfs/dbraw/zinc/74/10/31/432741031.db2.gz PGWSGBMZWMNRTQ-JTQLQIEISA-N 1 0 324.749 3.453 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000160800173 432741679 /nfs/dbraw/zinc/74/16/79/432741679.db2.gz SWKFMPONZGYMOP-XYJFISCASA-N 1 0 319.493 3.467 20 70 DGIDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)ccn1 ZINC000160809971 432742158 /nfs/dbraw/zinc/74/21/58/432742158.db2.gz HCSYUSZEYKPNCF-BFYDXBDKSA-N 1 0 306.450 3.410 20 70 DGIDRO CS[C@H](C)CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160809727 432742841 /nfs/dbraw/zinc/74/28/41/432742841.db2.gz KDQBAPOPFZAPDL-OAHLLOKOSA-N 1 0 312.523 3.243 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)c2cnn(C)c2)ccn1 ZINC000160815783 432743465 /nfs/dbraw/zinc/74/34/65/432743465.db2.gz UNMDGUNNYQVWEU-LSDHHAIUSA-N 1 0 316.449 3.479 20 70 DGIDRO C[C@@H](CC(=O)N1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000160823928 432743785 /nfs/dbraw/zinc/74/37/85/432743785.db2.gz FGBZTGGXZSTKJG-LBPRGKRZSA-N 1 0 314.351 3.021 20 70 DGIDRO C[C@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCCC1 ZINC000160729546 289364755 /nfs/dbraw/zinc/36/47/55/289364755.db2.gz DXEFOPLWCYSZBN-IAGOWNOFSA-N 1 0 322.493 3.249 20 70 DGIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159363037 292791214 /nfs/dbraw/zinc/79/12/14/292791214.db2.gz DQZXHLSOFVLCGS-NWDGAFQWSA-N 1 0 305.340 3.356 20 70 DGIDRO CCCCO[C@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1(C)C ZINC000159782199 292799987 /nfs/dbraw/zinc/79/99/87/292799987.db2.gz MYNWFCUUWPEFRL-GJZGRUSLSA-N 1 0 318.452 3.289 20 70 DGIDRO CCC(CC)n1ncc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1C ZINC000160313759 292812229 /nfs/dbraw/zinc/81/22/29/292812229.db2.gz HHEYIENXVFQRPK-AWEZNQCLSA-N 1 0 320.481 3.014 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000161286329 292830644 /nfs/dbraw/zinc/83/06/44/292830644.db2.gz CVRNYXMJUSWAGY-LSDHHAIUSA-N 1 0 306.475 3.152 20 70 DGIDRO Cc1ccsc1CCCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000161431217 534464534 /nfs/dbraw/zinc/46/45/34/534464534.db2.gz YBHRDGKHLWRPJB-OAHLLOKOSA-N 1 0 308.491 3.370 20 70 DGIDRO C[C@@H](CC(=O)NCC(C)(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000159487707 524366367 /nfs/dbraw/zinc/36/63/67/524366367.db2.gz DHNZSKKWEXXSSJ-FUHWJXTLSA-N 1 0 316.489 3.397 20 70 DGIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CCOCC1 ZINC000160045141 525430578 /nfs/dbraw/zinc/43/05/78/525430578.db2.gz QPISWFSRGBRPRZ-CYBMUJFWSA-N 1 0 322.415 3.056 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000160390874 525699755 /nfs/dbraw/zinc/69/97/55/525699755.db2.gz SJQBBAIBVPUOSJ-ONGXEEELSA-N 1 0 323.380 3.192 20 70 DGIDRO Cc1ccc([C@H](C)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000159660736 525876523 /nfs/dbraw/zinc/87/65/23/525876523.db2.gz ZACSTFIDAJFQAY-JKSUJKDBSA-N 1 0 302.462 3.241 20 70 DGIDRO O=C(NCCc1cccc(-c2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000160516795 526414732 /nfs/dbraw/zinc/41/47/32/526414732.db2.gz ACIMKAODRSABTB-LJQANCHMSA-N 1 0 308.425 3.012 20 70 DGIDRO C[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccncc1 ZINC000160737687 546061308 /nfs/dbraw/zinc/06/13/08/546061308.db2.gz GQSQZIMWMCJFKB-FUHWJXTLSA-N 1 0 315.461 3.052 20 70 DGIDRO Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160766095 546063041 /nfs/dbraw/zinc/06/30/41/546063041.db2.gz YNNRMZUYDHDBQI-KGLIPLIRSA-N 1 0 315.442 3.118 20 70 DGIDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cn1 ZINC000161296594 546067260 /nfs/dbraw/zinc/06/72/60/546067260.db2.gz FRZOKFCBTJDHRZ-HNNXBMFYSA-N 1 0 309.413 3.368 20 70 DGIDRO CCO[C@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1(CC)CC ZINC000161302718 546067409 /nfs/dbraw/zinc/06/74/09/546067409.db2.gz LRCZQXTVRMABIF-GJZGRUSLSA-N 1 0 318.452 3.289 20 70 DGIDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)sc2cccc(F)c12 ZINC000161344082 546067926 /nfs/dbraw/zinc/06/79/26/546067926.db2.gz SJLBBLWMXPIWLS-GHMZBOCLSA-N 1 0 306.406 3.349 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000161395799 546068303 /nfs/dbraw/zinc/06/83/03/546068303.db2.gz SOAIDLKNGBONNU-CVEARBPZSA-N 1 0 310.397 3.479 20 70 DGIDRO Fc1ccc(C2(C[NH2+]C3CCN(CC(F)F)CC3)CC2)cc1 ZINC000161361326 546068444 /nfs/dbraw/zinc/06/84/44/546068444.db2.gz CHKYVSDUOCLYRG-UHFFFAOYSA-N 1 0 312.379 3.176 20 70 DGIDRO COC[C@@H]([NH2+][C@H](C)Cc1cccc(Br)c1)C1CC1 ZINC000161410590 546068931 /nfs/dbraw/zinc/06/89/31/546068931.db2.gz MUYPCISDSLFLSD-IAQYHMDHSA-N 1 0 312.251 3.395 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000160527917 282118509 /nfs/dbraw/zinc/11/85/09/282118509.db2.gz LCCQHSABNIFMNA-ACJLOTCBSA-N 1 0 310.445 3.131 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](CC(C)C)c1cccs1)CC2 ZINC000160476550 282118921 /nfs/dbraw/zinc/11/89/21/282118921.db2.gz VTZUYNVTSNQUIF-UONOGXRCSA-N 1 0 304.463 3.340 20 70 DGIDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000159571631 186127865 /nfs/dbraw/zinc/12/78/65/186127865.db2.gz QMNNOINDBNSANJ-HIFRSBDPSA-N 1 0 306.475 3.451 20 70 DGIDRO CC[C@@H]([NH2+]C[C@@H](C)COCc1ccccc1)c1cnn(C)c1 ZINC000161295153 197483000 /nfs/dbraw/zinc/48/30/00/197483000.db2.gz JWNWBCBYZHXEOD-CRAIPNDOSA-N 1 0 301.434 3.314 20 70 DGIDRO C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cnn(C)c1 ZINC000161159273 197470517 /nfs/dbraw/zinc/47/05/17/197470517.db2.gz QEPLYXUSZUKGBE-NSHDSACASA-N 1 0 313.323 3.212 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000160975187 197454139 /nfs/dbraw/zinc/45/41/39/197454139.db2.gz PQWSJTJHZNQWPR-ZDUSSCGKSA-N 1 0 312.866 3.381 20 70 DGIDRO CC(=O)Nc1ccccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000160583403 197424177 /nfs/dbraw/zinc/42/41/77/197424177.db2.gz LJXBJVQGIGUVCT-INIZCTEOSA-N 1 0 302.418 3.226 20 70 DGIDRO FC(F)(F)c1nnc(NCC[NH2+]C2CCCCCC2)s1 ZINC000160389224 197406134 /nfs/dbraw/zinc/40/61/34/197406134.db2.gz IQESMFJNCJEHBH-UHFFFAOYSA-N 1 0 308.373 3.281 20 70 DGIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2OC)c1 ZINC000160175700 197391188 /nfs/dbraw/zinc/39/11/88/197391188.db2.gz USSDVQCHARNDKV-AWEZNQCLSA-N 1 0 312.413 3.296 20 70 DGIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc2c(c1)OCO2 ZINC000160114561 197387234 /nfs/dbraw/zinc/38/72/34/197387234.db2.gz FFPZPYKAQUQVBE-ZBEGNZNMSA-N 1 0 305.399 3.035 20 70 DGIDRO CN(CCOc1ccc(Cl)cc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160027936 197380916 /nfs/dbraw/zinc/38/09/16/197380916.db2.gz FKRNGVGLLKBBHA-ZDUSSCGKSA-N 1 0 303.233 3.041 20 70 DGIDRO C[C@H](C[NH2+][C@H](C)c1cncs1)N1CCc2sccc2C1 ZINC000159856449 197368775 /nfs/dbraw/zinc/36/87/75/197368775.db2.gz IUWVQNPYLJZYHO-VXGBXAGGSA-N 1 0 307.488 3.302 20 70 DGIDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc3C2)c(C)n1 ZINC000159805115 197365496 /nfs/dbraw/zinc/36/54/96/197365496.db2.gz QYDYHAIRVUPTJB-HUUCEWRRSA-N 1 0 324.472 3.191 20 70 DGIDRO COCCCOC1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000159803569 197365176 /nfs/dbraw/zinc/36/51/76/197365176.db2.gz QCCIKKOSANRWLN-UHFFFAOYSA-N 1 0 319.445 3.085 20 70 DGIDRO Cc1cc(C)cc(CCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000159485094 197358234 /nfs/dbraw/zinc/35/82/34/197358234.db2.gz CIYSOBWXYCOEMW-MOPGFXCFSA-N 1 0 314.473 3.179 20 70 DGIDRO Cc1ccc(N[C@@H](C)CCn2cccn2)c(OCC[NH+](C)C)c1 ZINC000159462108 197355079 /nfs/dbraw/zinc/35/50/79/197355079.db2.gz UDZLGQDJMVTAAD-INIZCTEOSA-N 1 0 316.449 3.023 20 70 DGIDRO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000159558197 400729769 /nfs/dbraw/zinc/72/97/69/400729769.db2.gz HLIGXPBNZZQFMD-GOSISDBHSA-N 1 0 302.462 3.054 20 70 DGIDRO CC[C@@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1 ZINC000216641955 165375371 /nfs/dbraw/zinc/37/53/71/165375371.db2.gz BMVKDADCRIFLKB-RTBURBONSA-N 1 0 304.478 3.393 20 70 DGIDRO C[C@@H](CNC(=O)NCC(C)(C)Cc1ccccc1)[N@H+](C)C1CC1 ZINC000217229867 165377677 /nfs/dbraw/zinc/37/76/77/165377677.db2.gz DATYBULWZAFODC-HNNXBMFYSA-N 1 0 317.477 3.037 20 70 DGIDRO O=C(NCC[NH2+]C1CCCCCC1)C1(c2cccc(F)c2)CC1 ZINC000159681172 228243086 /nfs/dbraw/zinc/24/30/86/228243086.db2.gz NSUFGIZNVYNOPV-UHFFFAOYSA-N 1 0 318.436 3.286 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160693338 228247964 /nfs/dbraw/zinc/24/79/64/228247964.db2.gz SDIVDCVMJDLICC-WCQYABFASA-N 1 0 320.742 3.202 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000161286082 228251632 /nfs/dbraw/zinc/25/16/32/228251632.db2.gz CVRNYXMJUSWAGY-GJZGRUSLSA-N 1 0 306.475 3.152 20 70 DGIDRO C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000161481461 228252521 /nfs/dbraw/zinc/25/25/21/228252521.db2.gz PGBPNAXFQFPSSC-WBVHZDCISA-N 1 0 320.502 3.109 20 70 DGIDRO COCCN(C)CC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000159427583 277505616 /nfs/dbraw/zinc/50/56/16/277505616.db2.gz SSVVJOHXRPNCFZ-CQSZACIVSA-N 1 0 317.260 3.149 20 70 DGIDRO Cc1ncc([C@H](C)NC[C@@H](C2CCCCC2)[NH+](C)C)c(C)n1 ZINC000160401175 279157362 /nfs/dbraw/zinc/15/73/62/279157362.db2.gz PVUKMBVGMNEKLP-UGSOOPFHSA-N 1 0 304.482 3.255 20 70 DGIDRO Cc1c(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cnn1C ZINC000160090580 280226906 /nfs/dbraw/zinc/22/69/06/280226906.db2.gz UCXWXTQKZOICNT-UHFFFAOYSA-N 1 0 301.287 3.176 20 70 DGIDRO Cc1c(C[NH2+][C@@H]2CCc3cc(Br)ccc32)cnn1C ZINC000161218097 280227400 /nfs/dbraw/zinc/22/74/00/280227400.db2.gz CABVHAVBGPOKIO-OAHLLOKOSA-N 1 0 320.234 3.268 20 70 DGIDRO Cc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000218095058 432659074 /nfs/dbraw/zinc/65/90/74/432659074.db2.gz HYQVBHUYGMMPRB-CVEARBPZSA-N 1 0 323.278 3.474 20 70 DGIDRO COc1ccc(Cl)cc1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000218762532 432661168 /nfs/dbraw/zinc/66/11/68/432661168.db2.gz PRLOQKIZCCYAIM-KRWDZBQOSA-N 1 0 319.832 3.384 20 70 DGIDRO CC(C)c1ncc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000159785112 432695456 /nfs/dbraw/zinc/69/54/56/432695456.db2.gz OUHAJAAXZFQMPY-CHWSQXEVSA-N 1 0 309.479 3.117 20 70 DGIDRO CCC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000159798977 432697740 /nfs/dbraw/zinc/69/77/40/432697740.db2.gz INDHNDHVDXPBJM-HNNXBMFYSA-N 1 0 324.490 3.139 20 70 DGIDRO [NH3+][C@@H](C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000159810672 432697770 /nfs/dbraw/zinc/69/77/70/432697770.db2.gz RSJLPERJMTVYEW-DOTOQJQBSA-N 1 0 314.816 3.356 20 70 DGIDRO CCCN(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000159959619 432702294 /nfs/dbraw/zinc/70/22/94/432702294.db2.gz AFNNUTQBOQEDIA-MAUKXSAKSA-N 1 0 315.461 3.091 20 70 DGIDRO CC(C)n1cc2cc(NC(=O)[C@H]([NH3+])Cc3ccccc3)ccc2n1 ZINC000160068897 432704117 /nfs/dbraw/zinc/70/41/17/432704117.db2.gz VODKNDIGSIHNJD-QGZVFWFLSA-N 1 0 322.412 3.126 20 70 DGIDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000160128482 432707842 /nfs/dbraw/zinc/70/78/42/432707842.db2.gz WOHVYAUOHLOWHR-OAHLLOKOSA-N 1 0 308.381 3.078 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000160213974 432711972 /nfs/dbraw/zinc/71/19/72/432711972.db2.gz ZQDODXBOOKVBIM-NEPJUHHUSA-N 1 0 319.417 3.361 20 70 DGIDRO Cc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1Cl ZINC000160402438 432719211 /nfs/dbraw/zinc/71/92/11/432719211.db2.gz YBMLHOGYFNSELR-UHFFFAOYSA-N 1 0 306.837 3.253 20 70 DGIDRO COc1ccccc1CN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000160424801 432719411 /nfs/dbraw/zinc/71/94/11/432719411.db2.gz WRIHAYBYXFFWDB-NRFANRHFSA-N 1 0 303.427 3.065 20 70 DGIDRO COCC[N@H+](Cc1ccccc1)Cc1cc(OC)cc(OC)c1 ZINC000160445545 432721115 /nfs/dbraw/zinc/72/11/15/432721115.db2.gz FWJOGHFRHCOXOE-UHFFFAOYSA-N 1 0 315.413 3.352 20 70 DGIDRO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160440656 432722032 /nfs/dbraw/zinc/72/20/32/432722032.db2.gz MIYKOBDNLKDRMY-OAQYLSRUSA-N 1 0 322.452 3.296 20 70 DGIDRO CC(C)[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CC1 ZINC000160500476 432724134 /nfs/dbraw/zinc/72/41/34/432724134.db2.gz ZIUJCVNOMHORCB-IBGZPJMESA-N 1 0 302.462 3.043 20 70 DGIDRO COc1cc(C)ccc1CNc1cc(N2CCCCC2)ncn1 ZINC000160523450 432724674 /nfs/dbraw/zinc/72/46/74/432724674.db2.gz GDNDYMXZNANHON-UHFFFAOYSA-N 1 0 312.417 3.396 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(C(C)C)s1 ZINC000160515564 432724837 /nfs/dbraw/zinc/72/48/37/432724837.db2.gz WDWLEQRDFVANHF-CYBMUJFWSA-N 1 0 309.479 3.117 20 70 DGIDRO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000160506073 432725310 /nfs/dbraw/zinc/72/53/10/432725310.db2.gz WKXSCYBEZPQEHD-VXGBXAGGSA-N 1 0 303.324 3.099 20 70 DGIDRO Cc1nc2ccccn2c1C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000160518066 432725357 /nfs/dbraw/zinc/72/53/57/432725357.db2.gz DCMGVYVRUQTCEB-LIRRHRJNSA-N 1 0 315.461 3.310 20 70 DGIDRO CC(C)[C@@H](CNC(=O)[C@H](C)[NH3+])Cc1ccc(Cl)cc1Cl ZINC000159532672 432686441 /nfs/dbraw/zinc/68/64/41/432686441.db2.gz DHEXJXLWDXELNT-CMPLNLGQSA-N 1 0 317.260 3.272 20 70 DGIDRO C[C@H](C[NH2+][C@@H](C)c1cncc(F)c1)N(C)Cc1ccccc1 ZINC000160881774 432747097 /nfs/dbraw/zinc/74/70/97/432747097.db2.gz VTJKOIFPDVZBBQ-CABCVRRESA-N 1 0 301.409 3.392 20 70 DGIDRO CC[NH+](CC)CCCNC(=O)NCCc1cc2ccccc2o1 ZINC000160871326 432747712 /nfs/dbraw/zinc/74/77/12/432747712.db2.gz DLGRBAXGPKEIML-UHFFFAOYSA-N 1 0 317.433 3.006 20 70 DGIDRO CC(C)[C@H]([NH3+])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160882146 432748285 /nfs/dbraw/zinc/74/82/85/432748285.db2.gz TZNQKSZQFGDLFT-INIZCTEOSA-N 1 0 308.853 3.104 20 70 DGIDRO [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000160966347 432750598 /nfs/dbraw/zinc/75/05/98/432750598.db2.gz GWESPBPAVOXXSU-NWDGAFQWSA-N 1 0 300.324 3.453 20 70 DGIDRO Cc1ccc([C@@H](C)C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000161049690 432756134 /nfs/dbraw/zinc/75/61/34/432756134.db2.gz WYPKAUMNHSJAFI-GUYCJALGSA-N 1 0 300.377 3.054 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)CSCc2cccc(C)c2)CC1 ZINC000161079088 432757657 /nfs/dbraw/zinc/75/76/57/432757657.db2.gz IPHONTWKIAYBBL-UHFFFAOYSA-N 1 0 320.502 3.076 20 70 DGIDRO CCOCCC1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC000161072807 432758132 /nfs/dbraw/zinc/75/81/32/432758132.db2.gz UYWRQTHIUDYKQD-UHFFFAOYSA-N 1 0 318.461 3.075 20 70 DGIDRO COc1ccc(COCCC[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000161107628 432758906 /nfs/dbraw/zinc/75/89/06/432758906.db2.gz KGARHWPZVZKJDE-HNNXBMFYSA-N 1 0 307.434 3.007 20 70 DGIDRO CCN(Cc1ccccn1)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000161121403 432761937 /nfs/dbraw/zinc/76/19/37/432761937.db2.gz LFXBTVNRCILJDX-HNNXBMFYSA-N 1 0 303.450 3.083 20 70 DGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000161148382 432762742 /nfs/dbraw/zinc/76/27/42/432762742.db2.gz VEPBVFUFPLPECF-CABCVRRESA-N 1 0 318.461 3.120 20 70 DGIDRO CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc(F)cc1 ZINC000161264393 432769720 /nfs/dbraw/zinc/76/97/20/432769720.db2.gz GJCNVSYMMXTNIV-JQHSSLGASA-N 1 0 318.436 3.262 20 70 DGIDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OC2CCCCC2)C1 ZINC000161316082 432773355 /nfs/dbraw/zinc/77/33/55/432773355.db2.gz LITZBOGQDFKULG-OAHLLOKOSA-N 1 0 316.445 3.080 20 70 DGIDRO Cc1ccccc1OCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000161351656 432774149 /nfs/dbraw/zinc/77/41/49/432774149.db2.gz LLQHPPURTSXDCL-QRQCRPRQSA-N 1 0 317.454 3.462 20 70 DGIDRO Clc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161399306 432775974 /nfs/dbraw/zinc/77/59/74/432775974.db2.gz JZVJQSHDJAIPNZ-AWEZNQCLSA-N 1 0 316.836 3.257 20 70 DGIDRO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161400595 432776819 /nfs/dbraw/zinc/77/68/19/432776819.db2.gz YBZFPWCZGVLGRU-QGZVFWFLSA-N 1 0 310.445 3.221 20 70 DGIDRO Cc1ccc(OCCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161392743 432776882 /nfs/dbraw/zinc/77/68/82/432776882.db2.gz QOYPSNAFIWPJFL-UHFFFAOYSA-N 1 0 305.418 3.039 20 70 DGIDRO CCCCOc1ccc(CC[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000161391048 432776908 /nfs/dbraw/zinc/77/69/08/432776908.db2.gz CGCUMTLKGYLYLX-HNNXBMFYSA-N 1 0 301.434 3.492 20 70 DGIDRO Cc1cc(C)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161400447 432777013 /nfs/dbraw/zinc/77/70/13/432777013.db2.gz YBZFPWCZGVLGRU-KRWDZBQOSA-N 1 0 310.445 3.221 20 70 DGIDRO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000161426007 432778184 /nfs/dbraw/zinc/77/81/84/432778184.db2.gz OKISFLGWYORYNR-GOEBONIOSA-N 1 0 315.413 3.131 20 70 DGIDRO CC[C@H]([NH2+]CCCN1CCOCC1)c1cccc(Cl)c1F ZINC000161474842 432781436 /nfs/dbraw/zinc/78/14/36/432781436.db2.gz ADHXVCUHDOCOFE-HNNXBMFYSA-N 1 0 314.832 3.242 20 70 DGIDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c(C)c1 ZINC000160529434 432727064 /nfs/dbraw/zinc/72/70/64/432727064.db2.gz VBMONBJXZCESGI-JZXOWHBKSA-N 1 0 318.461 3.161 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cccc(F)c1F ZINC000160549875 432727200 /nfs/dbraw/zinc/72/72/00/432727200.db2.gz UQZGJCIOTYQTIN-OAHLLOKOSA-N 1 0 324.415 3.134 20 70 DGIDRO C[NH2+][C@@H]1CCN(C(=O)C2(Sc3ccc(C)cc3)CCCC2)C1 ZINC000160544462 432727656 /nfs/dbraw/zinc/72/76/56/432727656.db2.gz ZNNNEGKJTDYIEK-OAHLLOKOSA-N 1 0 318.486 3.220 20 70 DGIDRO CC[C@H](C(=O)NCCCOc1ccc2ccccc2c1)[NH+](C)C ZINC000160569501 432728066 /nfs/dbraw/zinc/72/80/66/432728066.db2.gz BALCUESDGFDFKH-GOSISDBHSA-N 1 0 314.429 3.065 20 70 DGIDRO CC[C@@H](C(=O)NCCCOc1ccc2ccccc2c1)[NH+](C)C ZINC000160569358 432728310 /nfs/dbraw/zinc/72/83/10/432728310.db2.gz BALCUESDGFDFKH-SFHVURJKSA-N 1 0 314.429 3.065 20 70 DGIDRO CCc1nnc(C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)[nH]1 ZINC000160561211 432728344 /nfs/dbraw/zinc/72/83/44/432728344.db2.gz DCYFAIRROWTQOD-CQSZACIVSA-N 1 0 320.412 3.090 20 70 DGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000160631042 432732756 /nfs/dbraw/zinc/73/27/56/432732756.db2.gz IEVQMEURGLMFCT-MRXNPFEDSA-N 1 0 318.461 3.262 20 70 DGIDRO Cc1cccc(-c2cncc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)c2)c1 ZINC000160678021 432736531 /nfs/dbraw/zinc/73/65/31/432736531.db2.gz ZNPSUMCWADNEOE-INIZCTEOSA-N 1 0 323.440 3.081 20 70 DGIDRO CCCC[C@@H](COC)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160735566 432739519 /nfs/dbraw/zinc/73/95/19/432739519.db2.gz KDRZYKOOEQVZRR-ZWKOTPCHSA-N 1 0 318.461 3.145 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)ccn1 ZINC000160800438 432742665 /nfs/dbraw/zinc/74/26/65/432742665.db2.gz SWKFMPONZGYMOP-BQFCYCMXSA-N 1 0 319.493 3.467 20 70 DGIDRO Brc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159597434 292796333 /nfs/dbraw/zinc/79/63/33/292796333.db2.gz YSXLMKNLBQZLQQ-ZNMIVQPWSA-N 1 0 322.246 3.496 20 70 DGIDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C)cc1OC ZINC000160213716 292810178 /nfs/dbraw/zinc/81/01/78/292810178.db2.gz BLFDCQZVSWORBY-ZDUSSCGKSA-N 1 0 317.433 3.377 20 70 DGIDRO COc1cc2c(c(C[NH2+][C@H]3CCOC(C)(C)C3)c1)O[C@H](C)C2 ZINC000160439108 292815116 /nfs/dbraw/zinc/81/51/16/292815116.db2.gz HVGFWUYDCDTKRP-DOMZBBRYSA-N 1 0 305.418 3.066 20 70 DGIDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160470794 292815771 /nfs/dbraw/zinc/81/57/71/292815771.db2.gz GJSFTBXOBNOSLE-IOASZLSFSA-N 1 0 324.852 3.198 20 70 DGIDRO CC(C)CSCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000160834297 292823117 /nfs/dbraw/zinc/82/31/17/292823117.db2.gz DQPCJJHSFCSJNH-UHFFFAOYSA-N 1 0 308.491 3.257 20 70 DGIDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(F)cc1 ZINC000160866404 292823528 /nfs/dbraw/zinc/82/35/28/292823528.db2.gz CXCNAXLIBVTEEV-KRWDZBQOSA-N 1 0 312.388 3.456 20 70 DGIDRO CC(C)[NH+](CCNC(=O)[C@@H](C)c1c(F)cccc1F)C(C)C ZINC000160929039 292824757 /nfs/dbraw/zinc/82/47/57/292824757.db2.gz AHOITIYIASFQNI-ZDUSSCGKSA-N 1 0 312.404 3.303 20 70 DGIDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1(CC)CC ZINC000161317394 292833335 /nfs/dbraw/zinc/83/33/35/292833335.db2.gz XBAQYZMETAFPJE-DJIMGWMZSA-N 1 0 305.466 3.371 20 70 DGIDRO Cc1ccc([C@H](C[NH2+]C2[C@@H](C)CCC[C@@H]2C)N2CCOCC2)o1 ZINC000217023894 301797649 /nfs/dbraw/zinc/79/76/49/301797649.db2.gz SVACZJCYTDOHOY-ZOBUZTSGSA-N 1 0 320.477 3.376 20 70 DGIDRO CC(C)[C@H](CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160335246 519816538 /nfs/dbraw/zinc/81/65/38/519816538.db2.gz XMLMVRJRKHSXFV-AWEZNQCLSA-N 1 0 323.234 3.104 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3C[C@@H]3C3CC3)CC2)CC1 ZINC000161469128 520995399 /nfs/dbraw/zinc/99/53/99/520995399.db2.gz YNPDTBGMTOFVCI-HIEASXQVSA-N 1 0 304.478 3.192 20 70 DGIDRO CC1CC[NH+](CCCCNC(=O)N2CCC3(CCC3)C2)CC1 ZINC000160381647 521000925 /nfs/dbraw/zinc/00/09/25/521000925.db2.gz LQXRDXCDRIPNAF-UHFFFAOYSA-N 1 0 307.482 3.084 20 70 DGIDRO [NH3+]C1(CNC(=O)C2(Cc3ccccc3)CCC2)CCCCC1 ZINC000159730372 534535064 /nfs/dbraw/zinc/53/50/64/534535064.db2.gz DPWQWCZJHKMUKU-UHFFFAOYSA-N 1 0 300.446 3.177 20 70 DGIDRO [NH3+]C1(CNC(=O)CCc2nc3ccccc3s2)CCCCC1 ZINC000159485502 534536584 /nfs/dbraw/zinc/53/65/84/534536584.db2.gz LLIUOAPTJPCNKF-UHFFFAOYSA-N 1 0 317.458 3.007 20 70 DGIDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C(C)C ZINC000160502198 522365261 /nfs/dbraw/zinc/36/52/61/522365261.db2.gz CNXTYBODAUVEAY-QGZVFWFLSA-N 1 0 305.466 3.079 20 70 DGIDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCOC1 ZINC000160502344 522648161 /nfs/dbraw/zinc/64/81/61/522648161.db2.gz GSISOBKDJDYHLK-MSOLQXFVSA-N 1 0 317.477 3.223 20 70 DGIDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCOC1 ZINC000160502728 522877388 /nfs/dbraw/zinc/87/73/88/522877388.db2.gz GSISOBKDJDYHLK-ZWKOTPCHSA-N 1 0 317.477 3.223 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000160413208 525699611 /nfs/dbraw/zinc/69/96/11/525699611.db2.gz OQKMTGOZXDBXNJ-JQWIXIFHSA-N 1 0 323.380 3.350 20 70 DGIDRO Cc1nc2ccccn2c1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000160379583 527175074 /nfs/dbraw/zinc/17/50/74/527175074.db2.gz UYLHPMZUPJLJLY-SFHVURJKSA-N 1 0 321.424 3.125 20 70 DGIDRO CCC[NH+]1CCC(CNC(=O)c2cnc(C(C)C)s2)CC1 ZINC000161174969 528188073 /nfs/dbraw/zinc/18/80/73/528188073.db2.gz ZGKHXBAXJOOSPV-UHFFFAOYSA-N 1 0 309.479 3.118 20 70 DGIDRO CCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 ZINC000159790800 528201469 /nfs/dbraw/zinc/20/14/69/528201469.db2.gz IRNBPEHQADZMLQ-GJZGRUSLSA-N 1 0 306.475 3.151 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2cc(C)c3ccccc3n2)CC1 ZINC000161013173 528288984 /nfs/dbraw/zinc/28/89/84/528288984.db2.gz WWQBVGHHFLSSEM-UHFFFAOYSA-N 1 0 311.429 3.005 20 70 DGIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnc(C)c1Cl ZINC000159653747 546055224 /nfs/dbraw/zinc/05/52/24/546055224.db2.gz PSDDSMXIRWNSFR-OLZOCXBDSA-N 1 0 322.840 3.134 20 70 DGIDRO CCn1nccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000159995400 546057330 /nfs/dbraw/zinc/05/73/30/546057330.db2.gz CRYCXQXSZWRNFV-ZDUSSCGKSA-N 1 0 303.406 3.079 20 70 DGIDRO CC(C)[NH2+]CCC(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000160511792 546060916 /nfs/dbraw/zinc/06/09/16/546060916.db2.gz RDKVKBGCBIMDNN-UHFFFAOYSA-N 1 0 310.441 3.400 20 70 DGIDRO CC[NH+](CC)CCOc1ccc(NC(=O)NC2CC=CC2)cc1 ZINC000160491978 546061034 /nfs/dbraw/zinc/06/10/34/546061034.db2.gz KGXJDODQZAFGJL-UHFFFAOYSA-N 1 0 317.433 3.247 20 70 DGIDRO Cc1nc(-c2ccccc2)sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160773735 546062532 /nfs/dbraw/zinc/06/25/32/546062532.db2.gz FBLKSRHOIPDQHC-KBPBESRZSA-N 1 0 315.442 3.118 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000160831510 546062747 /nfs/dbraw/zinc/06/27/47/546062747.db2.gz DGXVQPWMRIZNMY-OLZOCXBDSA-N 1 0 300.358 3.072 20 70 DGIDRO C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160862942 546062998 /nfs/dbraw/zinc/06/29/98/546062998.db2.gz MTRKMYVLFJOOHC-SDDRHHMPSA-N 1 0 312.866 3.207 20 70 DGIDRO Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160773878 546063055 /nfs/dbraw/zinc/06/30/55/546063055.db2.gz FBLKSRHOIPDQHC-ZIAGYGMSSA-N 1 0 315.442 3.118 20 70 DGIDRO C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)Cc1cccs1 ZINC000161097403 546064750 /nfs/dbraw/zinc/06/47/50/546064750.db2.gz PRMDVFSSPYRXIK-ABAIWWIYSA-N 1 0 322.861 3.396 20 70 DGIDRO C[C@H](CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccncc1 ZINC000161134256 546065847 /nfs/dbraw/zinc/06/58/47/546065847.db2.gz SYUPXKMRRZEGBN-CYBMUJFWSA-N 1 0 303.450 3.001 20 70 DGIDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(Cl)c3Cl)C[C@@H]21 ZINC000216669011 546263043 /nfs/dbraw/zinc/26/30/43/546263043.db2.gz VEVQZFSHHOHMPV-SKDRFNHKSA-N 1 0 314.216 3.161 20 70 DGIDRO OCC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000217876514 627103239 /nfs/dbraw/zinc/10/32/39/627103239.db2.gz JVPSWXGSVPKYBP-IAGOWNOFSA-N 1 0 305.805 3.087 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)c(F)c(C)c1)CC2 ZINC000160569505 282125610 /nfs/dbraw/zinc/12/56/10/282125610.db2.gz ONMQXWIIYUHQSE-SWLSCSKDSA-N 1 0 302.397 3.008 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)NCC[C@H](C)c1ccc(OC)cc1 ZINC000161241984 292832111 /nfs/dbraw/zinc/83/21/11/292832111.db2.gz XWNNICLGJDWNFP-AWEZNQCLSA-N 1 0 306.450 3.070 20 70 DGIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(N2CCOC2=O)c1 ZINC000159574787 186128183 /nfs/dbraw/zinc/12/81/83/186128183.db2.gz XVIPNGMINSIOFB-GXTWGEPZSA-N 1 0 306.431 3.189 20 70 DGIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1cccc(N2CCOC2=O)c1 ZINC000159575149 186128492 /nfs/dbraw/zinc/12/84/92/186128492.db2.gz XVIPNGMINSIOFB-OCCSQVGLSA-N 1 0 306.431 3.189 20 70 DGIDRO CCOc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1OC ZINC000159601664 186130193 /nfs/dbraw/zinc/13/01/93/186130193.db2.gz IPSYTOREDFAJLV-OLMNPRSZSA-N 1 0 317.429 3.141 20 70 DGIDRO O=C(CCC(=O)c1cccs1)NCC[NH2+]C1CCCCCC1 ZINC000159617217 186130993 /nfs/dbraw/zinc/13/09/93/186130993.db2.gz JOPDMAYPXUSDOX-UHFFFAOYSA-N 1 0 322.474 3.140 20 70 DGIDRO C[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(F)cc1Cl ZINC000159625944 186131501 /nfs/dbraw/zinc/13/15/01/186131501.db2.gz IYTQYNKZFOHXFJ-SSZYYHHOSA-N 1 0 310.800 3.030 20 70 DGIDRO CSCCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159706546 186136748 /nfs/dbraw/zinc/13/67/48/186136748.db2.gz HJLDNMQSAVHULQ-KRWDZBQOSA-N 1 0 320.502 3.301 20 70 DGIDRO COc1ccc([C@H]([NH2+]CCc2cnn(C)c2)c2ccccc2)cc1 ZINC000159756563 186139845 /nfs/dbraw/zinc/13/98/45/186139845.db2.gz KSCKCMWDKWMKEP-HXUWFJFHSA-N 1 0 321.424 3.350 20 70 DGIDRO CC(C)(C[NH2+]C1CCC2(CC1)OCCO2)c1cccc(F)c1 ZINC000161500057 197500115 /nfs/dbraw/zinc/50/01/15/197500115.db2.gz CGYVVSJEQKNREC-UHFFFAOYSA-N 1 0 307.409 3.379 20 70 DGIDRO OC[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000161506026 197499696 /nfs/dbraw/zinc/49/96/96/197499696.db2.gz MZMXHOLOJCWDKB-GOSISDBHSA-N 1 0 310.441 3.021 20 70 DGIDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000161436477 197494211 /nfs/dbraw/zinc/49/42/11/197494211.db2.gz WQHLWTKBNUBTHC-XPTSAGLGSA-N 1 0 314.216 3.111 20 70 DGIDRO O=C(C[NH2+]CC1CC1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000161073976 197463225 /nfs/dbraw/zinc/46/32/25/197463225.db2.gz YUAYASJRMMZGJL-FQEVSTJZSA-N 1 0 322.452 3.129 20 70 DGIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160986103 197454914 /nfs/dbraw/zinc/45/49/14/197454914.db2.gz FOQNPOVOGZQWEU-KCJUWKMLSA-N 1 0 321.273 3.251 20 70 DGIDRO CCc1ccc(/C=C/C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)o1 ZINC000160650083 197428287 /nfs/dbraw/zinc/42/82/87/197428287.db2.gz OQCMJORSOUDKEF-DMGQIGSTSA-N 1 0 316.445 3.329 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](CCc1ccccc1)C(C)C)CC2 ZINC000160514870 197418310 /nfs/dbraw/zinc/41/83/10/197418310.db2.gz CMTIZRUFMKGPGN-MSOLQXFVSA-N 1 0 312.461 3.148 20 70 DGIDRO Brc1ccc(C[NH2+]C[C@@H]2CCOC2)c2ncccc12 ZINC000160315138 197399699 /nfs/dbraw/zinc/39/96/99/197399699.db2.gz OYNDMVWEKSZTNG-NSHDSACASA-N 1 0 321.218 3.123 20 70 DGIDRO CCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000160313089 197399734 /nfs/dbraw/zinc/39/97/34/197399734.db2.gz XRRPMBSXTXDKRN-DOTOQJQBSA-N 1 0 303.450 3.089 20 70 DGIDRO CCc1ccc([C@@H](C)CC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000160279619 197397735 /nfs/dbraw/zinc/39/77/35/197397735.db2.gz NFHRPXHKGPGRMB-DOTOQJQBSA-N 1 0 302.462 3.153 20 70 DGIDRO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000160132167 197388270 /nfs/dbraw/zinc/38/82/70/197388270.db2.gz CAEBNSBJIIZIAV-STQMWFEESA-N 1 0 322.399 3.059 20 70 DGIDRO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000160132280 197387820 /nfs/dbraw/zinc/38/78/20/197387820.db2.gz CAEBNSBJIIZIAV-OLZOCXBDSA-N 1 0 322.399 3.059 20 70 DGIDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])sc1-c1ccc(F)cc1 ZINC000160069167 197383791 /nfs/dbraw/zinc/38/37/91/197383791.db2.gz NVRAFOXGMKLQPU-UHFFFAOYSA-N 1 0 306.406 3.330 20 70 DGIDRO COCc1cc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC ZINC000159974353 197378026 /nfs/dbraw/zinc/37/80/26/197378026.db2.gz HCCHTUNVWCPENM-BBRMVZONSA-N 1 0 307.434 3.450 20 70 DGIDRO CC(C)([NH3+])CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000159926426 197374376 /nfs/dbraw/zinc/37/43/76/197374376.db2.gz HSWLBTIUFNCFTD-INIZCTEOSA-N 1 0 314.454 3.374 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000159814801 197366522 /nfs/dbraw/zinc/36/65/22/197366522.db2.gz KAXDGDZARCQGNO-MRXNPFEDSA-N 1 0 317.477 3.090 20 70 DGIDRO [NH3+]Cc1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000159809543 197366335 /nfs/dbraw/zinc/36/63/35/197366335.db2.gz MIIJHSNQPOSDDI-MRXNPFEDSA-N 1 0 314.816 3.428 20 70 DGIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000159452894 197355147 /nfs/dbraw/zinc/35/51/47/197355147.db2.gz CWEUAFICNZGTJN-YOENINGUSA-N 1 0 324.852 3.050 20 70 DGIDRO C[C@H](CCn1cccn1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000159428898 197353536 /nfs/dbraw/zinc/35/35/36/197353536.db2.gz SMPDOLLDUSFEFK-QGZVFWFLSA-N 1 0 312.461 3.412 20 70 DGIDRO Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000218719125 284785911 /nfs/dbraw/zinc/78/59/11/284785911.db2.gz BYTFKXYVGXLWON-XYJFISCASA-N 1 0 318.461 3.047 20 70 DGIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000160952489 252645284 /nfs/dbraw/zinc/64/52/84/252645284.db2.gz VQOIVYFRYUATPE-RDTXWAMCSA-N 1 0 315.413 3.478 20 70 DGIDRO COc1cccc(Cl)c1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159712945 533553598 /nfs/dbraw/zinc/55/35/98/533553598.db2.gz ZTPJZRAUZDTBIG-UHFFFAOYSA-N 1 0 324.852 3.391 20 70 DGIDRO CC[C@@H](CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C)cc1 ZINC000159490522 400729827 /nfs/dbraw/zinc/72/98/27/400729827.db2.gz YGJYLGOMRZKIPQ-HKUYNNGSSA-N 1 0 314.473 3.479 20 70 DGIDRO CCS[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159421699 286710893 /nfs/dbraw/zinc/71/08/93/286710893.db2.gz GKFFAVNHWIRYDL-HUUCEWRRSA-N 1 0 315.527 3.032 20 70 DGIDRO COc1ccc([C@@H](C)C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159694026 228242548 /nfs/dbraw/zinc/24/25/48/228242548.db2.gz MBQPCBWMAYPHSC-OAHLLOKOSA-N 1 0 318.461 3.227 20 70 DGIDRO c1coc(CN(CCC[NH+]2CCCCC2)C[C@H]2CCCO2)c1 ZINC000160685248 228248112 /nfs/dbraw/zinc/24/81/12/228248112.db2.gz BAJSSFYYWHOLOB-GOSISDBHSA-N 1 0 306.450 3.137 20 70 DGIDRO CCC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)CC1CC1 ZINC000217200443 263836214 /nfs/dbraw/zinc/83/62/14/263836214.db2.gz OTTGSFWIXCNBLB-UHFFFAOYSA-N 1 0 317.433 3.074 20 70 DGIDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000161425360 274515487 /nfs/dbraw/zinc/51/54/87/274515487.db2.gz IKCLPZGDGBYKHQ-RBZYPMLTSA-N 1 0 304.217 3.041 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC2(c3ccccc3)CCC2)CC1 ZINC000161262549 277024323 /nfs/dbraw/zinc/02/43/23/277024323.db2.gz LSDOZPZHXGIOOS-UHFFFAOYSA-N 1 0 300.446 3.145 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000161186138 277277627 /nfs/dbraw/zinc/27/76/27/277277627.db2.gz VFIKEBGIPPQYBL-AAEUAGOBSA-N 1 0 312.866 3.031 20 70 DGIDRO Cc1ncc([C@H](C)NC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000160474293 279157404 /nfs/dbraw/zinc/15/74/04/279157404.db2.gz XYBAAAVWNOZAJX-AWEZNQCLSA-N 1 0 302.466 3.151 20 70 DGIDRO Brc1cccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000217266521 432654481 /nfs/dbraw/zinc/65/44/81/432654481.db2.gz ZAQNZRKPHDFDDA-HNNXBMFYSA-N 1 0 309.251 3.025 20 70 DGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccc(Cl)s1 ZINC000159728313 432694580 /nfs/dbraw/zinc/69/45/80/432694580.db2.gz ZYYIXFZPMHUKBV-AAEUAGOBSA-N 1 0 312.866 3.282 20 70 DGIDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000159754151 432695693 /nfs/dbraw/zinc/69/56/93/432695693.db2.gz MVEVSDBDYHCSBV-YJBOKZPZSA-N 1 0 302.462 3.422 20 70 DGIDRO C[C@H](CCC(C)(C)C)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000159771971 432696224 /nfs/dbraw/zinc/69/62/24/432696224.db2.gz SLDNXOAUWXPEGZ-CQSZACIVSA-N 1 0 305.466 3.357 20 70 DGIDRO Cc1cccc([C@H](C)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000159874141 432698894 /nfs/dbraw/zinc/69/88/94/432698894.db2.gz WZYNCJKXRPUQCM-BBWFWOEESA-N 1 0 302.462 3.335 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2cnn(C)c2)c1 ZINC000159872760 432700192 /nfs/dbraw/zinc/70/01/92/432700192.db2.gz LKLCYOYKNQROOD-QGZVFWFLSA-N 1 0 314.433 3.400 20 70 DGIDRO CCC[N@H+](CC)CCNC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000159911474 432700857 /nfs/dbraw/zinc/70/08/57/432700857.db2.gz QBXFFUYLNPUDSR-CYBMUJFWSA-N 1 0 312.404 3.307 20 70 DGIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000159987075 432703806 /nfs/dbraw/zinc/70/38/06/432703806.db2.gz HZWFBHHQNJCUFQ-MSOLQXFVSA-N 1 0 300.377 3.400 20 70 DGIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)c1ccc(C)cc1 ZINC000160084493 432707051 /nfs/dbraw/zinc/70/70/51/432707051.db2.gz RANJMORGYCNWKS-MSOLQXFVSA-N 1 0 300.446 3.126 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000160249240 432712436 /nfs/dbraw/zinc/71/24/36/432712436.db2.gz FVRCYCPUULOCQO-JQWIXIFHSA-N 1 0 305.390 3.053 20 70 DGIDRO COCC[C@H](C)Nc1ccc(N2CCOC(C)(C)C2)cc1OC ZINC000160277103 432714373 /nfs/dbraw/zinc/71/43/73/432714373.db2.gz FDADRHJFCZETFQ-AWEZNQCLSA-N 1 0 322.449 3.147 20 70 DGIDRO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160379385 432717234 /nfs/dbraw/zinc/71/72/34/432717234.db2.gz AWOXEMVXNFCFGH-YJBOKZPZSA-N 1 0 324.424 3.071 20 70 DGIDRO Cc1ncc([C@@H](C)NC[C@@H](C2CCCCC2)[NH+](C)C)c(C)n1 ZINC000160401044 432718827 /nfs/dbraw/zinc/71/88/27/432718827.db2.gz PVUKMBVGMNEKLP-ACJLOTCBSA-N 1 0 304.482 3.255 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC000160407083 432718946 /nfs/dbraw/zinc/71/89/46/432718946.db2.gz WASSXNHYGIKCPH-HUUCEWRRSA-N 1 0 306.425 3.166 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)on1 ZINC000160403481 432719069 /nfs/dbraw/zinc/71/90/69/432719069.db2.gz RVGRAWCDTAFIJW-ZIAGYGMSSA-N 1 0 307.438 3.038 20 70 DGIDRO COc1cc2c(c(C[NH2+][C@@H]3CCOC(C)(C)C3)c1)O[C@@H](C)C2 ZINC000160438973 432720718 /nfs/dbraw/zinc/72/07/18/432720718.db2.gz HVGFWUYDCDTKRP-SWLSCSKDSA-N 1 0 305.418 3.066 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000160478065 432722449 /nfs/dbraw/zinc/72/24/49/432722449.db2.gz IOFDYESGTVXSIL-CYBMUJFWSA-N 1 0 316.367 3.356 20 70 DGIDRO CC1(C)C[C@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCO1 ZINC000160496214 432723637 /nfs/dbraw/zinc/72/36/37/432723637.db2.gz FIFYCNSXIGUDEP-OAHLLOKOSA-N 1 0 303.381 3.059 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](CCc1ccccc1)C(C)C)CC2 ZINC000160515220 432724823 /nfs/dbraw/zinc/72/48/23/432724823.db2.gz CMTIZRUFMKGPGN-ZWKOTPCHSA-N 1 0 312.461 3.148 20 70 DGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000160529494 432726721 /nfs/dbraw/zinc/72/67/21/432726721.db2.gz OSLRNKFYMRWVRJ-KBPBESRZSA-N 1 0 319.449 3.340 20 70 DGIDRO COCCN(C)CC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000159412054 432683745 /nfs/dbraw/zinc/68/37/45/432683745.db2.gz NZLHDZBOTPWKGJ-LLVKDONJSA-N 1 0 305.249 3.222 20 70 DGIDRO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000159505679 432684811 /nfs/dbraw/zinc/68/48/11/432684811.db2.gz KRHHNBLJYNRJKB-RVKKMQEKSA-N 1 0 304.434 3.359 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000159473394 432684868 /nfs/dbraw/zinc/68/48/68/432684868.db2.gz WJEWTBRKYPCYHP-HZPDHXFCSA-N 1 0 314.454 3.290 20 70 DGIDRO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000159505926 432685306 /nfs/dbraw/zinc/68/53/06/432685306.db2.gz KRHHNBLJYNRJKB-RLFYNMQTSA-N 1 0 304.434 3.359 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000159472973 432685579 /nfs/dbraw/zinc/68/55/79/432685579.db2.gz WJEWTBRKYPCYHP-HOTGVXAUSA-N 1 0 314.454 3.290 20 70 DGIDRO C[N@H+](CCc1cccc(OC(F)(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159624714 432690992 /nfs/dbraw/zinc/69/09/92/432690992.db2.gz RQTLENWPBVHKDL-HIFRSBDPSA-N 1 0 317.351 3.221 20 70 DGIDRO CC(C)c1cnc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)s1 ZINC000160896813 432747021 /nfs/dbraw/zinc/74/70/21/432747021.db2.gz MBHJXNBAVJCBTJ-AWEZNQCLSA-N 1 0 301.415 3.092 20 70 DGIDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(-n2cnnn2)cc1 ZINC000160999366 432753032 /nfs/dbraw/zinc/75/30/32/432753032.db2.gz RUFZUJQSEPRCMW-PBHICJAKSA-N 1 0 319.412 3.043 20 70 DGIDRO CNC(=O)c1ccc(CSCC[NH+](C(C)C)C(C)C)cc1 ZINC000161008181 432754261 /nfs/dbraw/zinc/75/42/61/432754261.db2.gz RKVYGFOXFJHIMU-UHFFFAOYSA-N 1 0 308.491 3.398 20 70 DGIDRO CC[C@H](NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1)c1cnn(C)c1 ZINC000161012719 432754371 /nfs/dbraw/zinc/75/43/71/432754371.db2.gz NDZJQQZSWVOSCD-WBVHZDCISA-N 1 0 306.498 3.361 20 70 DGIDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC000161082222 432757528 /nfs/dbraw/zinc/75/75/28/432757528.db2.gz GLBJFCOEVWPOBP-OAHLLOKOSA-N 1 0 311.429 3.005 20 70 DGIDRO C[C@@]1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC000161072913 432758421 /nfs/dbraw/zinc/75/84/21/432758421.db2.gz GDESDZWMJZLNJD-TZIWHRDSSA-N 1 0 322.452 3.129 20 70 DGIDRO COc1ccc(COCCC[NH2+][C@@H](C)c2cncc(F)c2)cc1 ZINC000161093358 432759116 /nfs/dbraw/zinc/75/91/16/432759116.db2.gz NJZYPEUEEZDLPC-AWEZNQCLSA-N 1 0 318.392 3.487 20 70 DGIDRO C[C@H]1CCC[C@@H](C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000161181372 432765625 /nfs/dbraw/zinc/76/56/25/432765625.db2.gz WVJGAVJTSKKTCE-LXZKKBNFSA-N 1 0 306.425 3.371 20 70 DGIDRO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC[C@H]1c1ccccc1 ZINC000161233830 432768555 /nfs/dbraw/zinc/76/85/55/432768555.db2.gz OWBGUKVMHCIFOJ-NRSFXHEJSA-N 1 0 300.446 3.156 20 70 DGIDRO CC(=O)NC1CCC([NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000161261636 432769978 /nfs/dbraw/zinc/76/99/78/432769978.db2.gz YFVYSPNLYKRUKK-CTWPCTMYSA-N 1 0 302.462 3.463 20 70 DGIDRO C[C@]1(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CCC[NH2+]C1 ZINC000161333874 432772951 /nfs/dbraw/zinc/77/29/51/432772951.db2.gz RZBQGIANLSLDEY-FQEVSTJZSA-N 1 0 322.408 3.246 20 70 DGIDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000161351270 432774798 /nfs/dbraw/zinc/77/47/98/432774798.db2.gz LLQHPPURTSXDCL-OYHNWAKOSA-N 1 0 317.454 3.462 20 70 DGIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1C=CCCC1 ZINC000161395090 432776380 /nfs/dbraw/zinc/77/63/80/432776380.db2.gz XEVPCIJGPOKZHV-MSOLQXFVSA-N 1 0 313.445 3.231 20 70 DGIDRO Cc1nnc(CNC(C)(C)c2ccc(Cl)c(Cl)c2)n1C ZINC000161452333 432779158 /nfs/dbraw/zinc/77/91/58/432779158.db2.gz VVVNKXSCKRPXMT-UHFFFAOYSA-N 1 0 313.232 3.455 20 70 DGIDRO c1nc2ccccn2c1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000161438780 432779234 /nfs/dbraw/zinc/77/92/34/432779234.db2.gz PDJXGUOTKUPSOI-GOSISDBHSA-N 1 0 321.424 3.168 20 70 DGIDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000161436694 432779663 /nfs/dbraw/zinc/77/96/63/432779663.db2.gz WQHLWTKBNUBTHC-LKFCYVNXSA-N 1 0 314.216 3.111 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@@H]3C3CC3)CC2)CC1 ZINC000161469030 432781573 /nfs/dbraw/zinc/78/15/73/432781573.db2.gz YNPDTBGMTOFVCI-OPQOLIRYSA-N 1 0 304.478 3.192 20 70 DGIDRO CC(C)c1csc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000160580362 432728781 /nfs/dbraw/zinc/72/87/81/432728781.db2.gz FKALTTPXFZXBFV-XQQFMLRXSA-N 1 0 309.479 3.144 20 70 DGIDRO C[NH2+][C@H]1CCN(C(=O)c2oc3c(ccc4ccccc34)c2C)C1 ZINC000160552434 432728848 /nfs/dbraw/zinc/72/88/48/432728848.db2.gz GGAFWSQDWPQDLF-AWEZNQCLSA-N 1 0 308.381 3.328 20 70 DGIDRO CCOC(=O)CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161482610 432781666 /nfs/dbraw/zinc/78/16/66/432781666.db2.gz KLMISKNYFDBUKJ-SFHVURJKSA-N 1 0 321.417 3.088 20 70 DGIDRO CCc1cc(=O)[nH]c(CN2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000160597755 432730485 /nfs/dbraw/zinc/73/04/85/432730485.db2.gz COJZZZCSKFVEEV-UHFFFAOYSA-N 1 0 313.376 3.173 20 70 DGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cncc(F)c2)c1 ZINC000160624443 432732070 /nfs/dbraw/zinc/73/20/70/432732070.db2.gz QIYDDXHNKCKBHT-CYBMUJFWSA-N 1 0 315.392 3.211 20 70 DGIDRO CC[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(F)cc1F ZINC000160865090 432745277 /nfs/dbraw/zinc/74/52/77/432745277.db2.gz LCWVJMWKJSGMFM-KVULBXGLSA-N 1 0 310.388 3.453 20 70 DGIDRO CC[C@]1(C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000160843250 432745319 /nfs/dbraw/zinc/74/53/19/432745319.db2.gz PMWJSKHOIQWWCH-PKOBYXMFSA-N 1 0 300.446 3.203 20 70 DGIDRO Cc1ncc([C@@H](C)[NH2+]C[C@H](C)N(C)Cc2ccccc2)c(C)n1 ZINC000160862686 432745984 /nfs/dbraw/zinc/74/59/84/432745984.db2.gz XTBUQTUNRUVXAK-LSDHHAIUSA-N 1 0 312.461 3.265 20 70 DGIDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000161502835 432783163 /nfs/dbraw/zinc/78/31/63/432783163.db2.gz XGBBYQAEBRXFHP-VQIMIIECSA-N 1 0 323.440 3.149 20 70 DGIDRO OC[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000161505919 432783549 /nfs/dbraw/zinc/78/35/49/432783549.db2.gz MZMXHOLOJCWDKB-SFHVURJKSA-N 1 0 310.441 3.021 20 70 DGIDRO CCS[C@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000159409451 292792482 /nfs/dbraw/zinc/79/24/82/292792482.db2.gz BKOUUHVODMLPRS-KGLIPLIRSA-N 1 0 306.466 3.370 20 70 DGIDRO CCC[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000159431161 292792528 /nfs/dbraw/zinc/79/25/28/292792528.db2.gz ZIGMKHMSHVVIHZ-IUODEOHRSA-N 1 0 319.276 3.347 20 70 DGIDRO C[NH+](C)CCCC1CCN(C(=O)NC2CCCCCC2)CC1 ZINC000159686049 292798006 /nfs/dbraw/zinc/79/80/06/292798006.db2.gz WCMYPBKVNYZSGF-UHFFFAOYSA-N 1 0 309.498 3.473 20 70 DGIDRO C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159708233 292798864 /nfs/dbraw/zinc/79/88/64/292798864.db2.gz VXJIQEAHBXYACP-RDJZCZTQSA-N 1 0 309.498 3.329 20 70 DGIDRO C[NH+]1CCC(Oc2ccc(NCc3ccccc3F)cn2)CC1 ZINC000160183495 292809523 /nfs/dbraw/zinc/80/95/23/292809523.db2.gz LWJGZHRMYFQZAD-UHFFFAOYSA-N 1 0 315.392 3.306 20 70 DGIDRO CCCC1(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000160232607 292810201 /nfs/dbraw/zinc/81/02/01/292810201.db2.gz GFVQNVMIJXFULM-ZDUSSCGKSA-N 1 0 309.479 3.230 20 70 DGIDRO CC(C)(C)C(=O)N1CCC(C[NH+](CC2CC2)CC2CC2)CC1 ZINC000160569759 292817959 /nfs/dbraw/zinc/81/79/59/292817959.db2.gz SHBNPWVOGXNRTO-UHFFFAOYSA-N 1 0 306.494 3.393 20 70 DGIDRO CC(=O)NC1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000161265303 292832773 /nfs/dbraw/zinc/83/27/73/292832773.db2.gz CNRQRYCDPMZNFP-RYSNWHEDSA-N 1 0 306.372 3.144 20 70 DGIDRO C[C@@H](SCc1ccccc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159491900 533997394 /nfs/dbraw/zinc/99/73/94/533997394.db2.gz DWKIPKPUFPWAQZ-CQSZACIVSA-N 1 0 306.475 3.086 20 70 DGIDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1ccc(OC(F)F)cc1 ZINC000160359497 522705363 /nfs/dbraw/zinc/70/53/63/522705363.db2.gz NPTWYWDENAIVMK-JSGCOSHPSA-N 1 0 319.417 3.443 20 70 DGIDRO COc1cccc([C@@H](C)C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159637323 524083528 /nfs/dbraw/zinc/08/35/28/524083528.db2.gz KOHUTTDLJZSUSU-OAHLLOKOSA-N 1 0 318.461 3.227 20 70 DGIDRO COc1ccc(COCCC[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000161107750 524113348 /nfs/dbraw/zinc/11/33/48/524113348.db2.gz KGARHWPZVZKJDE-OAHLLOKOSA-N 1 0 307.434 3.007 20 70 DGIDRO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[C@H]1c1ccccc1 ZINC000161235889 524763327 /nfs/dbraw/zinc/76/33/27/524763327.db2.gz WERMBRVNTHQEPG-CRAIPNDOSA-N 1 0 300.446 3.028 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000160413584 525642752 /nfs/dbraw/zinc/64/27/52/525642752.db2.gz OQKMTGOZXDBXNJ-ZYHUDNBSSA-N 1 0 323.380 3.350 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000160413324 525699570 /nfs/dbraw/zinc/69/95/70/525699570.db2.gz OQKMTGOZXDBXNJ-PWSUYJOCSA-N 1 0 323.380 3.350 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000160249382 525702192 /nfs/dbraw/zinc/70/21/92/525702192.db2.gz FVRCYCPUULOCQO-PWSUYJOCSA-N 1 0 305.390 3.053 20 70 DGIDRO CC(C)(C)c1ccc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160705589 526772543 /nfs/dbraw/zinc/77/25/43/526772543.db2.gz SALYMOSPILXXOQ-HDICACEKSA-N 1 0 314.473 3.270 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000160377187 527978255 /nfs/dbraw/zinc/97/82/55/527978255.db2.gz FTAFEUGTHVSOEM-KURKYZTESA-N 1 0 300.446 3.027 20 70 DGIDRO CCC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159814143 528157937 /nfs/dbraw/zinc/15/79/37/528157937.db2.gz PZACYOPJZSQUTD-GOSISDBHSA-N 1 0 317.477 3.135 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)CSc2ccccc2)CC1 ZINC000161109520 528287374 /nfs/dbraw/zinc/28/73/74/528287374.db2.gz XOPYLOIRMRWQOQ-HNNXBMFYSA-N 1 0 320.502 3.263 20 70 DGIDRO CCC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC000159385975 546053622 /nfs/dbraw/zinc/05/36/22/546053622.db2.gz IDABNKMTUQIEGW-SJLPKXTDSA-N 1 0 315.461 3.304 20 70 DGIDRO C[C@H](CC(=O)NCC[NH2+]C1CCCCCC1)c1ccncc1 ZINC000159713205 546055853 /nfs/dbraw/zinc/05/58/53/546055853.db2.gz QCLMQYDTIUPJFU-OAHLLOKOSA-N 1 0 303.450 3.004 20 70 DGIDRO C[C@@H](C[NH2+]Cc1ccc(Br)c2cccnc12)N(C)C ZINC000160316052 546059949 /nfs/dbraw/zinc/05/99/49/546059949.db2.gz GABQZMOTLSFAAM-NSHDSACASA-N 1 0 322.250 3.037 20 70 DGIDRO CC[C@](C)(O)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160331589 546060256 /nfs/dbraw/zinc/06/02/56/546060256.db2.gz UOPNRCMUDSFCBD-HNNXBMFYSA-N 1 0 323.234 3.248 20 70 DGIDRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCOC(C)(C)C1)O[C@H](C)C2 ZINC000160535137 546060867 /nfs/dbraw/zinc/06/08/67/546060867.db2.gz LYUJXKYJZQEUGQ-CZUORRHYSA-N 1 0 319.445 3.456 20 70 DGIDRO Cc1cc(O[C@H](C)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1C(C)C ZINC000160894045 546063952 /nfs/dbraw/zinc/06/39/52/546063952.db2.gz KTVIXVXYNLURJY-PMPSAXMXSA-N 1 0 318.461 3.272 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000161395525 546068466 /nfs/dbraw/zinc/06/84/66/546068466.db2.gz SOAIDLKNGBONNU-HOTGVXAUSA-N 1 0 310.397 3.479 20 70 DGIDRO COC[C@@H]([NH2+][C@@H](C)Cc1cccc(Br)c1)C1CC1 ZINC000161410449 546069132 /nfs/dbraw/zinc/06/91/32/546069132.db2.gz MUYPCISDSLFLSD-XHDPSFHLSA-N 1 0 312.251 3.395 20 70 DGIDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000216641313 575273506 /nfs/dbraw/zinc/27/35/06/575273506.db2.gz MMMJWLJSGUNUQO-LSDHHAIUSA-N 1 0 310.869 3.347 20 70 DGIDRO OCC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000217876589 627103160 /nfs/dbraw/zinc/10/31/60/627103160.db2.gz JVPSWXGSVPKYBP-DLBZAZTESA-N 1 0 305.805 3.087 20 70 DGIDRO CC(C)Oc1cccc(C[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000218116910 627104106 /nfs/dbraw/zinc/10/41/06/627104106.db2.gz LXTNLVIGSRHKKK-UHFFFAOYSA-N 1 0 308.422 3.088 20 70 DGIDRO CCc1ccccc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000160713493 529568583 /nfs/dbraw/zinc/56/85/83/529568583.db2.gz ZVWDCQQYJLLIER-SFHVURJKSA-N 1 0 310.441 3.152 20 70 DGIDRO C[C@@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(F)cc1Cl ZINC000159626382 186131223 /nfs/dbraw/zinc/13/12/23/186131223.db2.gz IYTQYNKZFOHXFJ-TZDNBKRZSA-N 1 0 310.800 3.030 20 70 DGIDRO COc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(F)c1 ZINC000161426978 197494608 /nfs/dbraw/zinc/49/46/08/197494608.db2.gz LIKOKPCVEZOAOA-DZGCQCFKSA-N 1 0 303.377 3.261 20 70 DGIDRO CN(Cc1csc2ccccc12)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161341978 197487330 /nfs/dbraw/zinc/48/73/30/197487330.db2.gz XMWYTWGRKBEEHU-QGZVFWFLSA-N 1 0 302.443 3.249 20 70 DGIDRO Cc1ccc(OCCCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161308671 197483743 /nfs/dbraw/zinc/48/37/43/197483743.db2.gz CGYMUUHDOIJGFJ-UHFFFAOYSA-N 1 0 319.445 3.429 20 70 DGIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCc3ccccc32)CC1 ZINC000161251257 197478542 /nfs/dbraw/zinc/47/85/42/197478542.db2.gz GYQSFJMTONIPOP-AOCRQIFASA-N 1 0 300.446 3.143 20 70 DGIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nc(C2CC2)ns1 ZINC000160230789 197393551 /nfs/dbraw/zinc/39/35/51/197393551.db2.gz WKQVHUQDKMLQTN-WFASDCNBSA-N 1 0 314.458 3.348 20 70 DGIDRO CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCCC[NH3+] ZINC000160028697 197381180 /nfs/dbraw/zinc/38/11/80/197381180.db2.gz WQKZRZWHMXCKMH-UHFFFAOYSA-N 1 0 319.474 3.110 20 70 DGIDRO COc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000159870648 197370452 /nfs/dbraw/zinc/37/04/52/197370452.db2.gz STDZMRIMBSPZGV-NRFANRHFSA-N 1 0 303.427 3.065 20 70 DGIDRO CCc1ccc(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159795283 197365431 /nfs/dbraw/zinc/36/54/31/197365431.db2.gz CSTDKYMYZDFCPK-UHFFFAOYSA-N 1 0 314.473 3.172 20 70 DGIDRO Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000159766602 197362537 /nfs/dbraw/zinc/36/25/37/197362537.db2.gz TUIURURAJQJWPU-RTBURBONSA-N 1 0 314.473 3.179 20 70 DGIDRO [NH3+]C1(CNC(=O)CCc2ccc(Cl)s2)CCCCC1 ZINC000159529418 197360967 /nfs/dbraw/zinc/36/09/67/197360967.db2.gz JCLXBACYXRBLEZ-UHFFFAOYSA-N 1 0 300.855 3.112 20 70 DGIDRO c1coc(-c2nc(C[NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCC4)cs2)c1 ZINC000159466521 197355920 /nfs/dbraw/zinc/35/59/20/197355920.db2.gz DJBLXAUBFGTDPZ-SNPRPXQTSA-N 1 0 316.426 3.450 20 70 DGIDRO C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC000159443287 197354222 /nfs/dbraw/zinc/35/42/22/197354222.db2.gz INKHMPDDBPGGSS-YUELXQCFSA-N 1 0 322.399 3.154 20 70 DGIDRO C[C@H](CC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000159372844 197348221 /nfs/dbraw/zinc/34/82/21/197348221.db2.gz RSOAMYPEFWVFNS-UONOGXRCSA-N 1 0 324.415 3.307 20 70 DGIDRO FC(F)CN1CCC([NH2+]CCSc2ccccc2)CC1 ZINC000160517183 400734896 /nfs/dbraw/zinc/73/48/96/400734896.db2.gz QHMBVORRDXIYSN-UHFFFAOYSA-N 1 0 300.418 3.098 20 70 DGIDRO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)OC(C)(C)C ZINC000160690972 400735060 /nfs/dbraw/zinc/73/50/60/400735060.db2.gz HHCXLQYATNDSJS-HNNXBMFYSA-N 1 0 320.477 3.348 20 70 DGIDRO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000159782860 292236625 /nfs/dbraw/zinc/23/66/25/292236625.db2.gz VAQOFXFAHIFROO-IEZWGBDMSA-N 1 0 300.446 3.437 20 70 DGIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000159489750 228241378 /nfs/dbraw/zinc/24/13/78/228241378.db2.gz LEVADMHMNCQRMJ-KGLIPLIRSA-N 1 0 306.837 3.221 20 70 DGIDRO COc1ccc(Cl)cc1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000218762567 263836268 /nfs/dbraw/zinc/83/62/68/263836268.db2.gz PRLOQKIZCCYAIM-QGZVFWFLSA-N 1 0 319.832 3.384 20 70 DGIDRO CC[C@@H](C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[NH+](C)C ZINC000160095160 276409661 /nfs/dbraw/zinc/40/96/61/276409661.db2.gz CEQGTFODYHJXMB-STQMWFEESA-N 1 0 312.866 3.333 20 70 DGIDRO C[NH+](C)CCN(C(=O)N[C@@H]1CCCc2occc21)C1CCCC1 ZINC000160671103 276785966 /nfs/dbraw/zinc/78/59/66/276785966.db2.gz MEISLZQSSKLLQU-MRXNPFEDSA-N 1 0 319.449 3.173 20 70 DGIDRO CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160999449 277087842 /nfs/dbraw/zinc/08/78/42/277087842.db2.gz RYUMUGKWZBCPRC-VHSSKADRSA-N 1 0 303.450 3.168 20 70 DGIDRO COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CCCO2 ZINC000161014683 277990794 /nfs/dbraw/zinc/99/07/94/277990794.db2.gz BPWFHSPWWVGRBF-IIDMSEBBSA-N 1 0 318.461 3.371 20 70 DGIDRO C[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000159701927 278207291 /nfs/dbraw/zinc/20/72/91/278207291.db2.gz AKFOBTKKPOMWGT-ZNMIVQPWSA-N 1 0 313.445 3.088 20 70 DGIDRO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCc2ccccc2CC1 ZINC000217223108 432654778 /nfs/dbraw/zinc/65/47/78/432654778.db2.gz OSXZZTBYEZYZGG-KRWDZBQOSA-N 1 0 322.452 3.307 20 70 DGIDRO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159685694 432692472 /nfs/dbraw/zinc/69/24/72/432692472.db2.gz HYXIPFDFEZMLNI-HOCLYGCPSA-N 1 0 302.418 3.207 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000159899585 432701852 /nfs/dbraw/zinc/70/18/52/432701852.db2.gz FVHPLDFNTMVWGU-ZDUSSCGKSA-N 1 0 300.406 3.010 20 70 DGIDRO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000160000666 432702379 /nfs/dbraw/zinc/70/23/79/432702379.db2.gz FVZXJVCWNNPEIW-QGZVFWFLSA-N 1 0 324.509 3.497 20 70 DGIDRO CC[C@@H](C(=O)NCc1ccccc1OCCC(C)C)[NH+](C)C ZINC000160044558 432704874 /nfs/dbraw/zinc/70/48/74/432704874.db2.gz BOLGWMBMOLMDDY-INIZCTEOSA-N 1 0 306.450 3.068 20 70 DGIDRO CC(C)CSCCC[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000160012177 432705365 /nfs/dbraw/zinc/70/53/65/432705365.db2.gz LLOIQDLERHHWBG-AWEZNQCLSA-N 1 0 319.478 3.092 20 70 DGIDRO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000160079399 432706933 /nfs/dbraw/zinc/70/69/33/432706933.db2.gz UUQUDVFIMOPBEE-BBRMVZONSA-N 1 0 308.853 3.495 20 70 DGIDRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000160107014 432707426 /nfs/dbraw/zinc/70/74/26/432707426.db2.gz DHVRGKWTMUEBIU-INIZCTEOSA-N 1 0 323.444 3.330 20 70 DGIDRO Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccccc2C)n1 ZINC000160274780 432713244 /nfs/dbraw/zinc/71/32/44/432713244.db2.gz VNAYAURIHHOVPG-GOSISDBHSA-N 1 0 309.413 3.474 20 70 DGIDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1ccccc1OC(F)F ZINC000160329429 432715826 /nfs/dbraw/zinc/71/58/26/432715826.db2.gz QABFRJVCYVDKEG-YPMHNXCESA-N 1 0 319.417 3.443 20 70 DGIDRO CCc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(-c2ccncc2)n1 ZINC000160367000 432717135 /nfs/dbraw/zinc/71/71/35/432717135.db2.gz MLKZQXJJPIHBMP-IAGOWNOFSA-N 1 0 324.428 3.471 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1oc3ccccc3c1C)CC2 ZINC000160381835 432717842 /nfs/dbraw/zinc/71/78/42/432717842.db2.gz FPLJPYSTOVBEOU-JSGCOSHPSA-N 1 0 310.401 3.307 20 70 DGIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1=C(C)OCCC1 ZINC000160423044 432719221 /nfs/dbraw/zinc/71/92/21/432719221.db2.gz GOVRHASYULUSHW-UHFFFAOYSA-N 1 0 316.445 3.229 20 70 DGIDRO Cc1cc(C)nc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000160450681 432720823 /nfs/dbraw/zinc/72/08/23/432720823.db2.gz UGANTTRXZMAEOO-INIZCTEOSA-N 1 0 316.449 3.038 20 70 DGIDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)c(Cl)c1OC ZINC000160454398 432721486 /nfs/dbraw/zinc/72/14/86/432721486.db2.gz YOMKKXFZFSRMJN-LBPRGKRZSA-N 1 0 313.825 3.404 20 70 DGIDRO CCc1nn(C)c(CC)c1C[N@H+](CCOC)Cc1ccccc1 ZINC000160455949 432722121 /nfs/dbraw/zinc/72/21/21/432722121.db2.gz DMWHWDPUKAQJBY-UHFFFAOYSA-N 1 0 315.461 3.194 20 70 DGIDRO Cc1ccccc1C[N@@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000160527065 432725018 /nfs/dbraw/zinc/72/50/18/432725018.db2.gz XUCRNROPBQQKTQ-UHFFFAOYSA-N 1 0 306.413 3.423 20 70 DGIDRO O=C(C[NH2+]CC1CC1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000159472446 432684323 /nfs/dbraw/zinc/68/43/23/432684323.db2.gz AVOULEJNHGCATC-INIZCTEOSA-N 1 0 314.454 3.148 20 70 DGIDRO C[C@H](C(=O)NCCc1cc2ccccc2[nH]1)[NH+]1CCCCCC1 ZINC000159574033 432688314 /nfs/dbraw/zinc/68/83/14/432688314.db2.gz GWOQTXHYPLGKAK-OAHLLOKOSA-N 1 0 313.445 3.091 20 70 DGIDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160551640 432726731 /nfs/dbraw/zinc/72/67/31/432726731.db2.gz SZQCOHIVXCNCQW-OAHLLOKOSA-N 1 0 307.397 3.332 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160982365 432752218 /nfs/dbraw/zinc/75/22/18/432752218.db2.gz OWGHDCOEUASCEG-HOTGVXAUSA-N 1 0 318.486 3.247 20 70 DGIDRO COc1cccc(NC(=O)CSCC[NH+](C(C)C)C(C)C)c1 ZINC000161020376 432754722 /nfs/dbraw/zinc/75/47/22/432754722.db2.gz KKOVQBQTQFEPOS-UHFFFAOYSA-N 1 0 324.490 3.486 20 70 DGIDRO CC(C)C[C@H]1CCCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000161050616 432755850 /nfs/dbraw/zinc/75/58/50/432755850.db2.gz CLJBIQFJEFXBCZ-AEFFLSMTSA-N 1 0 324.509 3.064 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000161034937 432756435 /nfs/dbraw/zinc/75/64/35/432756435.db2.gz SARPRZMNMYZWQZ-UHFFFAOYSA-N 1 0 320.864 3.220 20 70 DGIDRO CC(C)c1ncc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)s1 ZINC000161035605 432756686 /nfs/dbraw/zinc/75/66/86/432756686.db2.gz HZNYWLAACDUJEZ-CYBMUJFWSA-N 1 0 309.479 3.117 20 70 DGIDRO O=C(NC[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000161071761 432757410 /nfs/dbraw/zinc/75/74/10/432757410.db2.gz SXSAZWQBZVUFRM-VQTJNVASSA-N 1 0 322.452 3.271 20 70 DGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000161064591 432757609 /nfs/dbraw/zinc/75/76/09/432757609.db2.gz NJWSYPFCBOZBJX-ZDUSSCGKSA-N 1 0 300.446 3.493 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)[C@H](CC)Oc2cccc(C)c2)CC1 ZINC000161112352 432759849 /nfs/dbraw/zinc/75/98/49/432759849.db2.gz YLZUOCCHJKBNFH-SFHVURJKSA-N 1 0 318.461 3.001 20 70 DGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000161165618 432762708 /nfs/dbraw/zinc/76/27/08/432762708.db2.gz PSWPXJHHUZLFKD-GJZGRUSLSA-N 1 0 306.450 3.229 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2sc(C)nc2CC(C)C)CC1 ZINC000161149830 432763767 /nfs/dbraw/zinc/76/37/67/432763767.db2.gz OKAQHXQJQFXRFO-UHFFFAOYSA-N 1 0 323.506 3.112 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000161213026 432766553 /nfs/dbraw/zinc/76/65/53/432766553.db2.gz CODWCFNDAJTLGS-OAHLLOKOSA-N 1 0 324.852 3.005 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000161217092 432767195 /nfs/dbraw/zinc/76/71/95/432767195.db2.gz ORWRPHWXRSXMFZ-GFCCVEGCSA-N 1 0 322.355 3.337 20 70 DGIDRO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161247892 432768227 /nfs/dbraw/zinc/76/82/27/432768227.db2.gz JTNLASZEBUXFFH-ZWKOTPCHSA-N 1 0 302.462 3.307 20 70 DGIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000161265153 432770589 /nfs/dbraw/zinc/77/05/89/432770589.db2.gz CNRQRYCDPMZNFP-BLYZHGLHSA-N 1 0 306.372 3.144 20 70 DGIDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cnn(CCC(C)C)c1C ZINC000161274415 432770618 /nfs/dbraw/zinc/77/06/18/432770618.db2.gz HQTKGKQATROGDV-AWEZNQCLSA-N 1 0 323.485 3.089 20 70 DGIDRO C/C(=C/c1ccccc1Cl)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161292173 432771792 /nfs/dbraw/zinc/77/17/92/432771792.db2.gz XEDYNXXJSNEZSB-SEYXRHQNSA-N 1 0 318.848 3.486 20 70 DGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](C)C2)c1 ZINC000161310607 432772705 /nfs/dbraw/zinc/77/27/05/432772705.db2.gz FXWITDAADWOMRR-HZPDHXFCSA-N 1 0 317.477 3.326 20 70 DGIDRO COc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c(F)c1 ZINC000161427055 432777811 /nfs/dbraw/zinc/77/78/11/432777811.db2.gz LIKOKPCVEZOAOA-UKRRQHHQSA-N 1 0 303.377 3.261 20 70 DGIDRO COc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1F ZINC000161457474 432779370 /nfs/dbraw/zinc/77/93/70/432779370.db2.gz OBAQTJWAEGRVSN-BBRMVZONSA-N 1 0 303.377 3.261 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCc2nc(C(C)(C)C)cs2)CC1 ZINC000161453965 432780474 /nfs/dbraw/zinc/78/04/74/432780474.db2.gz YGFNVANGSBKWRG-UHFFFAOYSA-N 1 0 323.506 3.020 20 70 DGIDRO C[N@H+](Cc1cnc2ccccn12)[C@@H]1CCCN(c2ccccc2)C1 ZINC000160544502 432727503 /nfs/dbraw/zinc/72/75/03/432727503.db2.gz FPKIRGSLFOLYPD-GOSISDBHSA-N 1 0 320.440 3.435 20 70 DGIDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C1CCOCC1 ZINC000160557590 432728227 /nfs/dbraw/zinc/72/82/27/432728227.db2.gz HBOSYRZMEUXPFX-MRXNPFEDSA-N 1 0 317.477 3.367 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)c(F)c(C)c1)CC2 ZINC000160569379 432729296 /nfs/dbraw/zinc/72/92/96/432729296.db2.gz ONMQXWIIYUHQSE-IUODEOHRSA-N 1 0 302.397 3.008 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CCO1 ZINC000160612317 432731810 /nfs/dbraw/zinc/73/18/10/432731810.db2.gz UOABFXCPUHYULL-ZDUSSCGKSA-N 1 0 303.381 3.263 20 70 DGIDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(Cl)s1 ZINC000160612381 432732148 /nfs/dbraw/zinc/73/21/48/432732148.db2.gz UJENZGPSCOACNC-SSDOTTSWSA-N 1 0 314.760 3.121 20 70 DGIDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000160782647 432740298 /nfs/dbraw/zinc/74/02/98/432740298.db2.gz DNMSFSVKKCMBHQ-CYBMUJFWSA-N 1 0 311.223 3.166 20 70 DGIDRO C[C@H]1CC[C@H](C)N1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000161493086 432781891 /nfs/dbraw/zinc/78/18/91/432781891.db2.gz HPANMQRLYBWREY-GJZGRUSLSA-N 1 0 318.486 3.248 20 70 DGIDRO CCC[C@H]([NH2+][C@H](C)C(C)C)C(=O)N1CCc2sccc2C1 ZINC000160164921 292808880 /nfs/dbraw/zinc/80/88/80/292808880.db2.gz RSURLPQODFSZGU-HIFRSBDPSA-N 1 0 308.491 3.436 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000160153401 292808953 /nfs/dbraw/zinc/80/89/53/292808953.db2.gz ZMBVBCIOLLMAGP-HOTGVXAUSA-N 1 0 311.491 3.164 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000160178399 292809515 /nfs/dbraw/zinc/80/95/15/292809515.db2.gz HHPPSUDUHORVMF-CVEARBPZSA-N 1 0 311.491 3.164 20 70 DGIDRO C[C@@H](C(=O)N1CCC(OC(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000160968196 292825174 /nfs/dbraw/zinc/82/51/74/292825174.db2.gz XFPUSKIPJLRRGN-KFWWJZLASA-N 1 0 310.482 3.054 20 70 DGIDRO C[NH+](C)Cc1ccc(C(=O)NCCc2ccccc2Cl)cc1 ZINC000161421452 292835128 /nfs/dbraw/zinc/83/51/28/292835128.db2.gz FLMGKRUTJSELFY-UHFFFAOYSA-N 1 0 316.832 3.374 20 70 DGIDRO Clc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)nc(C2CC2)n1 ZINC000160455250 294101635 /nfs/dbraw/zinc/10/16/35/294101635.db2.gz GPPBRHWTIJWXPA-AWEZNQCLSA-N 1 0 320.868 3.462 20 70 DGIDRO CC(C)OCCCNC(=O)C1CC[NH+](CCC2CCCC2)CC1 ZINC000160412733 519763135 /nfs/dbraw/zinc/76/31/35/519763135.db2.gz IGGOSNNRFVYYLU-UHFFFAOYSA-N 1 0 324.509 3.210 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000161286216 534485868 /nfs/dbraw/zinc/48/58/68/534485868.db2.gz CVRNYXMJUSWAGY-HUUCEWRRSA-N 1 0 306.475 3.152 20 70 DGIDRO CCCC[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160429699 521148066 /nfs/dbraw/zinc/14/80/66/521148066.db2.gz CHEUILPKHAFFAM-HNNXBMFYSA-N 1 0 324.490 3.139 20 70 DGIDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCOC1 ZINC000160502596 522649880 /nfs/dbraw/zinc/64/98/80/522649880.db2.gz GSISOBKDJDYHLK-ROUUACIJSA-N 1 0 317.477 3.223 20 70 DGIDRO CN(CCC[NH+]1CCCCC1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000161443534 522748705 /nfs/dbraw/zinc/74/87/05/522748705.db2.gz MKFRZAUDRIEKAZ-UHFFFAOYSA-N 1 0 312.461 3.385 20 70 DGIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000159505406 524381338 /nfs/dbraw/zinc/38/13/38/524381338.db2.gz SCNVFEXEXVDBRH-MRXNPFEDSA-N 1 0 321.428 3.172 20 70 DGIDRO C[C@H](Cc1ccccc1F)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159398832 524732118 /nfs/dbraw/zinc/73/21/18/524732118.db2.gz METYVFVGOBZAPF-WBVHZDCISA-N 1 0 318.436 3.091 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000160285273 525699707 /nfs/dbraw/zinc/69/97/07/525699707.db2.gz VKCBRHAIRJQDSM-HOCLYGCPSA-N 1 0 311.491 3.486 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000160357404 525699863 /nfs/dbraw/zinc/69/98/63/525699863.db2.gz RHOQOBJPGKMULH-JQWIXIFHSA-N 1 0 305.390 3.053 20 70 DGIDRO CC(C)c1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cn1 ZINC000161409122 528067731 /nfs/dbraw/zinc/06/77/31/528067731.db2.gz YMMXGBUKYRESNQ-UHFFFAOYSA-N 1 0 303.450 3.199 20 70 DGIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000160125167 529344182 /nfs/dbraw/zinc/34/41/82/529344182.db2.gz CXBQKQDITCXZRD-CVEARBPZSA-N 1 0 300.450 3.253 20 70 DGIDRO C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C[NH3+])o1 ZINC000159444977 546053107 /nfs/dbraw/zinc/05/31/07/546053107.db2.gz FVRUZWGFCWKFKW-NSHDSACASA-N 1 0 306.793 3.095 20 70 DGIDRO Cc1nccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1Cl ZINC000159731127 546056473 /nfs/dbraw/zinc/05/64/73/546056473.db2.gz PMJFDKAXFSUOSW-UHFFFAOYSA-N 1 0 324.856 3.477 20 70 DGIDRO C[C@@H](CCO)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160333283 546060183 /nfs/dbraw/zinc/06/01/83/546060183.db2.gz FAMKCKUNIXOLQM-NSHDSACASA-N 1 0 323.234 3.105 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000160972309 546063163 /nfs/dbraw/zinc/06/31/63/546063163.db2.gz PPQUUWJGNGQKIJ-ZWKOTPCHSA-N 1 0 308.425 3.205 20 70 DGIDRO CC(C)[NH+](CCCNC(=O)C[C@H](C)c1ccncc1)C(C)C ZINC000160884186 546064062 /nfs/dbraw/zinc/06/40/62/546064062.db2.gz ZJVTXELGGGOXAO-INIZCTEOSA-N 1 0 305.466 3.200 20 70 DGIDRO C[C@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccncc1 ZINC000160989599 546065110 /nfs/dbraw/zinc/06/51/10/546065110.db2.gz IHZDSGHELSIABB-OAHLLOKOSA-N 1 0 315.461 3.098 20 70 DGIDRO Cc1ccc(C)c(OCCCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161069216 546065239 /nfs/dbraw/zinc/06/52/39/546065239.db2.gz RYYCGJSSBMQZGS-DLBZAZTESA-N 1 0 318.461 3.239 20 70 DGIDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161206499 546065497 /nfs/dbraw/zinc/06/54/97/546065497.db2.gz OHDNTKXBYAOMAQ-LLVKDONJSA-N 1 0 306.406 3.241 20 70 DGIDRO CC(C)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000161433273 546068908 /nfs/dbraw/zinc/06/89/08/546068908.db2.gz UQZMFKHCMPTHSE-KGLIPLIRSA-N 1 0 311.429 3.358 20 70 DGIDRO Cc1cccc(C2(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CCCC2)c1 ZINC000161471740 546068956 /nfs/dbraw/zinc/06/89/56/546068956.db2.gz IWROPMVJQUQGLI-IAGOWNOFSA-N 1 0 300.446 3.193 20 70 DGIDRO C[C@H](CCc1ccccc1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000217445254 575906360 /nfs/dbraw/zinc/90/63/60/575906360.db2.gz ODKYHYBKCRYTAV-QGZVFWFLSA-N 1 0 317.477 3.183 20 70 DGIDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159571351 186127732 /nfs/dbraw/zinc/12/77/32/186127732.db2.gz QMNNOINDBNSANJ-UKRRQHHQSA-N 1 0 306.475 3.451 20 70 DGIDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000161436817 197494980 /nfs/dbraw/zinc/49/49/80/197494980.db2.gz WQHLWTKBNUBTHC-YMTOWFKASA-N 1 0 314.216 3.111 20 70 DGIDRO CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1ccccc1 ZINC000161217227 197475571 /nfs/dbraw/zinc/47/55/71/197475571.db2.gz JSOHPMDLUQLVNV-INIZCTEOSA-N 1 0 300.402 3.449 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 ZINC000161096382 197464920 /nfs/dbraw/zinc/46/49/20/197464920.db2.gz FQBILQRSYPCKDZ-BQYQJAHWSA-N 1 0 312.413 3.294 20 70 DGIDRO CCc1ccc([C@H](C)CC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000160279732 197397513 /nfs/dbraw/zinc/39/75/13/197397513.db2.gz NFHRPXHKGPGRMB-NVXWUHKLSA-N 1 0 302.462 3.153 20 70 DGIDRO CCN(C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000160313219 197399674 /nfs/dbraw/zinc/39/96/74/197399674.db2.gz XRRPMBSXTXDKRN-RDJZCZTQSA-N 1 0 303.450 3.089 20 70 DGIDRO C[C@@H]1CCC[C@@](CNc2nnc(C(F)(F)F)s2)([NH+](C)C)C1 ZINC000160161922 197389956 /nfs/dbraw/zinc/38/99/56/197389956.db2.gz XJPAUSQSQFBLFF-BXKDBHETSA-N 1 0 322.400 3.479 20 70 DGIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000160156728 197390107 /nfs/dbraw/zinc/39/01/07/197390107.db2.gz DZBWFZWBAGJNPE-ZDUSSCGKSA-N 1 0 312.866 3.162 20 70 DGIDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000160109402 197385986 /nfs/dbraw/zinc/38/59/86/197385986.db2.gz SEFKXQYJOVPGQE-LLVKDONJSA-N 1 0 322.861 3.165 20 70 DGIDRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000159916499 197373469 /nfs/dbraw/zinc/37/34/69/197373469.db2.gz MDTPWJNFQSOSSO-HZPDHXFCSA-N 1 0 310.445 3.353 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(C)c2C)CC1 ZINC000159869446 197370334 /nfs/dbraw/zinc/37/03/34/197370334.db2.gz RNWDCGDNIXSSAN-INIZCTEOSA-N 1 0 303.450 3.102 20 70 DGIDRO C[C@@H](C[NH2+][C@@H](C)c1cncs1)N1CCc2ccccc2C1 ZINC000159804405 197365574 /nfs/dbraw/zinc/36/55/74/197365574.db2.gz DHBPUWCGTSURGE-KBPBESRZSA-N 1 0 301.459 3.241 20 70 DGIDRO CS[C@H](C)CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000159771073 197362355 /nfs/dbraw/zinc/36/23/55/197362355.db2.gz DLMIRIQIAMOWCK-CQSZACIVSA-N 1 0 308.491 3.285 20 70 DGIDRO C[C@H](CC(=O)N1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1F ZINC000159525992 197360412 /nfs/dbraw/zinc/36/04/12/197360412.db2.gz FLWMCJDMNALPIR-CYBMUJFWSA-N 1 0 322.399 3.013 20 70 DGIDRO C[C@@H](CCn1cccn1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000159428737 197353644 /nfs/dbraw/zinc/35/36/44/197353644.db2.gz SMPDOLLDUSFEFK-KRWDZBQOSA-N 1 0 312.461 3.412 20 70 DGIDRO O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159397988 197350868 /nfs/dbraw/zinc/35/08/68/197350868.db2.gz NFFXSTBITRFLLJ-HXUWFJFHSA-N 1 0 306.409 3.179 20 70 DGIDRO O=C1CCCN1CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000159540225 296318325 /nfs/dbraw/zinc/31/83/25/296318325.db2.gz ILEVOFTVUJDJQR-MRXNPFEDSA-N 1 0 314.429 3.035 20 70 DGIDRO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000160041579 197381963 /nfs/dbraw/zinc/38/19/63/197381963.db2.gz VNTNGWMFOXHHLR-QMMMGPOBSA-N 1 0 321.273 3.328 20 70 DGIDRO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000216829557 285121662 /nfs/dbraw/zinc/12/16/62/285121662.db2.gz GKPNFUICQQYFJC-ZNMIVQPWSA-N 1 0 308.491 3.463 20 70 DGIDRO C[C@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc(F)cc1 ZINC000159742497 533623341 /nfs/dbraw/zinc/62/33/41/533623341.db2.gz BQRXGTGNJANPES-CQSZACIVSA-N 1 0 318.436 3.310 20 70 DGIDRO Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1NC(=O)C(C)(C)C ZINC000159528007 400729843 /nfs/dbraw/zinc/72/98/43/400729843.db2.gz KTZGNBKCXBTFFQ-UHFFFAOYSA-N 1 0 319.449 3.306 20 70 DGIDRO CC[C@@H]([NH2+]CCN1C(=O)Cc2ccccc21)c1ccc(F)cc1 ZINC000160861680 400736631 /nfs/dbraw/zinc/73/66/31/400736631.db2.gz CZTGTZXNOTUHHE-QGZVFWFLSA-N 1 0 312.388 3.456 20 70 DGIDRO Fc1ccc(/C=C\CN2CCN(Cc3cccnc3)CC2)cc1 ZINC000217899777 400950710 /nfs/dbraw/zinc/95/07/10/400950710.db2.gz KFGFIYBNXZKYER-RQOWECAXSA-N 1 0 311.404 3.052 20 70 DGIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000159453005 286018131 /nfs/dbraw/zinc/01/81/31/286018131.db2.gz CWEUAFICNZGTJN-OYNZBZHQSA-N 1 0 324.852 3.050 20 70 DGIDRO C[C@H](SCc1ccccc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159491758 228241712 /nfs/dbraw/zinc/24/17/12/228241712.db2.gz DWKIPKPUFPWAQZ-AWEZNQCLSA-N 1 0 306.475 3.086 20 70 DGIDRO Cc1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1F ZINC000160045833 228244590 /nfs/dbraw/zinc/24/45/90/228244590.db2.gz WFSPBROAPJNKCG-UHFFFAOYSA-N 1 0 307.413 3.376 20 70 DGIDRO O=C(Cc1ccc(-c2ccccc2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160381792 228246310 /nfs/dbraw/zinc/24/63/10/228246310.db2.gz MFRACBRUWDWTFU-BGYRXZFFSA-N 1 0 320.436 3.249 20 70 DGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000161289385 276090639 /nfs/dbraw/zinc/09/06/39/276090639.db2.gz PHTATFVWLJISKH-SWLSCSKDSA-N 1 0 324.852 3.400 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1sc2ccc(F)cc2c1C ZINC000161209780 277278465 /nfs/dbraw/zinc/27/84/65/277278465.db2.gz HWLCIHUIBCZJGW-LBPRGKRZSA-N 1 0 306.406 3.173 20 70 DGIDRO C[C@H](C[NH2+][C@@H](C)c1cncs1)N1CCc2ccccc2C1 ZINC000159804543 278209053 /nfs/dbraw/zinc/20/90/53/278209053.db2.gz DHBPUWCGTSURGE-KGLIPLIRSA-N 1 0 301.459 3.241 20 70 DGIDRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccnc1 ZINC000159895551 278336343 /nfs/dbraw/zinc/33/63/43/278336343.db2.gz HHHMNZKVBNQBJE-CVEARBPZSA-N 1 0 310.445 3.353 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000161431899 278996885 /nfs/dbraw/zinc/99/68/85/278996885.db2.gz KWWAPSZSRSPTGP-RRFJBIMHSA-N 1 0 306.475 3.151 20 70 DGIDRO CC(C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000160930625 280222931 /nfs/dbraw/zinc/22/29/31/280222931.db2.gz DMZGRDGJWCZOMO-OAGGEKHMSA-N 1 0 318.461 3.070 20 70 DGIDRO CCc1ccc([C@@H](CNC(=O)N(C)CC2CCC2)[NH+](C)C)cc1 ZINC000217148428 432655165 /nfs/dbraw/zinc/65/51/65/432655165.db2.gz AVDIMUNVZQTUSO-GOSISDBHSA-N 1 0 317.477 3.293 20 70 DGIDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217514577 432656889 /nfs/dbraw/zinc/65/68/89/432656889.db2.gz LGPPERULEVNBRP-RYUDHWBXSA-N 1 0 302.340 3.317 20 70 DGIDRO CC(C)[C@@H](CN[C@@H](C)c1cscn1)NC(=O)OC(C)(C)C ZINC000218251761 432657730 /nfs/dbraw/zinc/65/77/30/432657730.db2.gz CLGZRQIDOSVZRQ-NWDGAFQWSA-N 1 0 313.467 3.343 20 70 DGIDRO CC(C)[C@H](CN[C@@H](C)c1cscn1)NC(=O)OC(C)(C)C ZINC000218251806 432658368 /nfs/dbraw/zinc/65/83/68/432658368.db2.gz CLGZRQIDOSVZRQ-RYUDHWBXSA-N 1 0 313.467 3.343 20 70 DGIDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000218742987 432660252 /nfs/dbraw/zinc/66/02/52/432660252.db2.gz KRIXITXFSYUBTK-GRZALLJUSA-N 1 0 302.462 3.414 20 70 DGIDRO COc1cc2c(cc1OC)C[N@H+](Cc1cccc3c[nH]nc31)CC2 ZINC000159776798 432695583 /nfs/dbraw/zinc/69/55/83/432695583.db2.gz KQXUZXQBALULIW-UHFFFAOYSA-N 1 0 323.396 3.138 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159836977 432697675 /nfs/dbraw/zinc/69/76/75/432697675.db2.gz NORSYTQNPCNXDQ-BBRMVZONSA-N 1 0 324.852 3.017 20 70 DGIDRO CCCC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000159887298 432699991 /nfs/dbraw/zinc/69/99/91/432699991.db2.gz KZXYAIOVSUOPGT-MAUKXSAKSA-N 1 0 317.477 3.245 20 70 DGIDRO CCC[N@@H+]1CCCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000159926647 432701236 /nfs/dbraw/zinc/70/12/36/432701236.db2.gz MGOUPOHXPQVWOA-IZZDOVSWSA-N 1 0 300.446 3.424 20 70 DGIDRO CCC[N@H+](CCOCC1CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159953136 432703607 /nfs/dbraw/zinc/70/36/07/432703607.db2.gz QSBYCSGZLDEWCA-HNNXBMFYSA-N 1 0 304.434 3.152 20 70 DGIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000160062527 432704202 /nfs/dbraw/zinc/70/42/02/432704202.db2.gz KUCQKAYHEWYAEO-IRXDYDNUSA-N 1 0 306.494 3.393 20 70 DGIDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)NCc1ccccc1 ZINC000160075267 432707450 /nfs/dbraw/zinc/70/74/50/432707450.db2.gz YRIYTWXIAAOFMA-RBUKOAKNSA-N 1 0 308.425 3.229 20 70 DGIDRO CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000160131083 432708747 /nfs/dbraw/zinc/70/87/47/432708747.db2.gz KLKPUKBGLLUSPG-GOSISDBHSA-N 1 0 309.413 3.087 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000160142732 432709056 /nfs/dbraw/zinc/70/90/56/432709056.db2.gz YSJUURQECZCIEP-OLZOCXBDSA-N 1 0 317.882 3.201 20 70 DGIDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000160549894 432726382 /nfs/dbraw/zinc/72/63/82/432726382.db2.gz DHWFLJDIZGDEQD-QGZVFWFLSA-N 1 0 321.417 3.340 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000160249515 432712024 /nfs/dbraw/zinc/71/20/24/432712024.db2.gz FVRCYCPUULOCQO-CMPLNLGQSA-N 1 0 305.390 3.053 20 70 DGIDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C(C)C ZINC000160546641 432726457 /nfs/dbraw/zinc/72/64/57/432726457.db2.gz GHPQOQFWJVPRFO-QGZVFWFLSA-N 1 0 305.466 3.223 20 70 DGIDRO CC1(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000160317838 432713774 /nfs/dbraw/zinc/71/37/74/432713774.db2.gz CEOKXUBBHSFILX-UHFFFAOYSA-N 1 0 321.490 3.202 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1sc(C(C)C)nc1C)CC2 ZINC000160358124 432716261 /nfs/dbraw/zinc/71/62/61/432716261.db2.gz UCDLZPAOWDZVIP-GXFFZTMASA-N 1 0 319.478 3.140 20 70 DGIDRO CC(C)n1cccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000160390565 432717794 /nfs/dbraw/zinc/71/77/94/432717794.db2.gz FKYZMUUMPGDMRZ-MRXNPFEDSA-N 1 0 315.417 3.229 20 70 DGIDRO CCN(CC1CC1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160404357 432719083 /nfs/dbraw/zinc/71/90/83/432719083.db2.gz XXAUFIUMNAUOLQ-MAUKXSAKSA-N 1 0 315.461 3.091 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(OC)c1 ZINC000160546297 432726641 /nfs/dbraw/zinc/72/66/41/432726641.db2.gz XKGDQVDOUJVGTP-UHFFFAOYSA-N 1 0 307.438 3.281 20 70 DGIDRO Cc1cc(C)nc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000160450551 432720371 /nfs/dbraw/zinc/72/03/71/432720371.db2.gz UGANTTRXZMAEOO-MRXNPFEDSA-N 1 0 316.449 3.038 20 70 DGIDRO COc1cc2c(c(C[NH2+][C@@H]3CCOC(C)(C)C3)c1)O[C@H](C)C2 ZINC000160438841 432721036 /nfs/dbraw/zinc/72/10/36/432721036.db2.gz HVGFWUYDCDTKRP-IUODEOHRSA-N 1 0 305.418 3.066 20 70 DGIDRO c1cc2c(ncnc2N2CCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000160434573 432721157 /nfs/dbraw/zinc/72/11/57/432721157.db2.gz PJJVZZWIWWJERG-CYBMUJFWSA-N 1 0 302.447 3.146 20 70 DGIDRO Cc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)nc(C(C)C)n1 ZINC000160456901 432721169 /nfs/dbraw/zinc/72/11/69/432721169.db2.gz CTXSURHXZOSXIT-INIZCTEOSA-N 1 0 302.466 3.363 20 70 DGIDRO CC(C)(C)c1nsc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160446421 432721291 /nfs/dbraw/zinc/72/12/91/432721291.db2.gz JFXHHQBFRORYSU-CYBMUJFWSA-N 1 0 308.495 3.290 20 70 DGIDRO C[C@H](C(=O)NCCc1cc2ccccc2o1)[C@@H]([NH3+])c1ccccc1 ZINC000160487556 432722773 /nfs/dbraw/zinc/72/27/73/432722773.db2.gz ATPGHCQFVBAUDY-IFXJQAMLSA-N 1 0 322.408 3.428 20 70 DGIDRO CCC(CC)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000160534150 432726685 /nfs/dbraw/zinc/72/66/85/432726685.db2.gz OZUIKKSNBZVYJF-UHFFFAOYSA-N 1 0 309.454 3.097 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OC(C)C)cc1)CC2 ZINC000160491452 432723268 /nfs/dbraw/zinc/72/32/68/432723268.db2.gz GQJXJOTVXKUANO-CZUORRHYSA-N 1 0 314.433 3.039 20 70 DGIDRO CCCCc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160530952 432726707 /nfs/dbraw/zinc/72/67/07/432726707.db2.gz ZHKDICRMWZQCKV-LBPRGKRZSA-N 1 0 316.367 3.358 20 70 DGIDRO Cc1ccccc1C[N@@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000160519760 432724546 /nfs/dbraw/zinc/72/45/46/432724546.db2.gz RKFBHKYOSDJSGW-UHFFFAOYSA-N 1 0 306.413 3.423 20 70 DGIDRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000160506193 432725383 /nfs/dbraw/zinc/72/53/83/432725383.db2.gz WKXSCYBEZPQEHD-RYUDHWBXSA-N 1 0 303.324 3.099 20 70 DGIDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)o1 ZINC000160500968 432725588 /nfs/dbraw/zinc/72/55/88/432725588.db2.gz NDVBKQXFJGFKRY-MRXNPFEDSA-N 1 0 314.429 3.271 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(COCc2ccccc2)cc1 ZINC000159516636 432685186 /nfs/dbraw/zinc/68/51/86/432685186.db2.gz CBMJXLOJYJWNMW-IBGZPJMESA-N 1 0 324.424 3.484 20 70 DGIDRO CC[C@@H](CC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(C)cc1 ZINC000159509887 432685324 /nfs/dbraw/zinc/68/53/24/432685324.db2.gz OUIHZBIOBNZLIE-SJORKVTESA-N 1 0 302.462 3.337 20 70 DGIDRO C[N@@H+](Cc1c(Cl)ccc2cccnc21)C[C@@H]1CCC[C@@H]1O ZINC000159558630 432686870 /nfs/dbraw/zinc/68/68/70/432686870.db2.gz RAIGMNYNMMKDQF-BBRMVZONSA-N 1 0 304.821 3.481 20 70 DGIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000159543514 432687141 /nfs/dbraw/zinc/68/71/41/432687141.db2.gz AQDGZCYXCRJLGY-ZBFHGGJFSA-N 1 0 316.445 3.094 20 70 DGIDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc(Cl)c2F)cc1 ZINC000159560643 432687207 /nfs/dbraw/zinc/68/72/07/432687207.db2.gz FTBAIWXXLFNJIQ-UHFFFAOYSA-N 1 0 320.795 3.471 20 70 DGIDRO C[N@H+](CCOCC1CC1)Cc1csc(Br)c1 ZINC000159610447 432688118 /nfs/dbraw/zinc/68/81/18/432688118.db2.gz GGMXEYRSDKHVIT-UHFFFAOYSA-N 1 0 304.253 3.369 20 70 DGIDRO O=C(NCC1(Sc2ccccc2)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000159674522 432691902 /nfs/dbraw/zinc/69/19/02/432691902.db2.gz VNLJFQVGLDKHCN-OAHLLOKOSA-N 1 0 318.486 3.207 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161013941 432754453 /nfs/dbraw/zinc/75/44/53/432754453.db2.gz RYMYORVAPYQTSR-IDHHARJASA-N 1 0 318.461 3.227 20 70 DGIDRO COC[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C)C1CC1 ZINC000161049579 432756431 /nfs/dbraw/zinc/75/64/31/432756431.db2.gz MXBWEYDPEYFGEZ-QAPCUYQASA-N 1 0 305.418 3.170 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)CCc2ccccc2F)CC1 ZINC000161028855 432756588 /nfs/dbraw/zinc/75/65/88/432756588.db2.gz OXGXFOXASVUWLX-HNNXBMFYSA-N 1 0 320.452 3.243 20 70 DGIDRO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000161097561 432759991 /nfs/dbraw/zinc/75/99/91/432759991.db2.gz LFXMIWCPABBKLM-SGTLLEGYSA-N 1 0 312.388 3.338 20 70 DGIDRO c1ccc2c(c1)OCCC[C@H]2[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161135977 432761257 /nfs/dbraw/zinc/76/12/57/432761257.db2.gz PLDYGUYYHWRJST-MRXNPFEDSA-N 1 0 311.381 3.461 20 70 DGIDRO Cc1ccc([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)o1 ZINC000161185579 432764824 /nfs/dbraw/zinc/76/48/24/432764824.db2.gz FLXIEPJZJAITGV-AWEZNQCLSA-N 1 0 302.422 3.189 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)[C@@H](C)Cc1ccccc1Cl ZINC000161182464 432765344 /nfs/dbraw/zinc/76/53/44/432765344.db2.gz HUDMFPXVTLWAJJ-AWEZNQCLSA-N 1 0 310.869 3.317 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000161183328 432765549 /nfs/dbraw/zinc/76/55/49/432765549.db2.gz NJOFLSZPPYEHKL-PBHICJAKSA-N 1 0 306.475 3.080 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000161223971 432766254 /nfs/dbraw/zinc/76/62/54/432766254.db2.gz VLWAKGDYMSGTKX-QGZVFWFLSA-N 1 0 317.477 3.434 20 70 DGIDRO COc1cc(C)c(CN(C)CCC[NH+]2CCCCC2)cc1OC ZINC000161220017 432767416 /nfs/dbraw/zinc/76/74/16/432767416.db2.gz SFROVWHRMZMAQL-UHFFFAOYSA-N 1 0 320.477 3.320 20 70 DGIDRO Cc1ccc(C(C)(C)CN(C)C(=O)CC2CC[NH2+]CC2)cc1 ZINC000161256367 432769250 /nfs/dbraw/zinc/76/92/50/432769250.db2.gz QWFYEHNEYDORIQ-UHFFFAOYSA-N 1 0 302.462 3.121 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000161336046 432772414 /nfs/dbraw/zinc/77/24/14/432772414.db2.gz LAQHHYVIODSHNI-GFCCVEGCSA-N 1 0 306.381 3.228 20 70 DGIDRO CC(C)Oc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161336191 432773687 /nfs/dbraw/zinc/77/36/87/432773687.db2.gz CGKYJARHBRZQPI-UHFFFAOYSA-N 1 0 305.418 3.249 20 70 DGIDRO COc1cc(CN(C)CCC[NH+]2CCCC2)ccc1SC ZINC000161508247 432782796 /nfs/dbraw/zinc/78/27/96/432782796.db2.gz UFQDDJMFJMRTLL-UHFFFAOYSA-N 1 0 308.491 3.335 20 70 DGIDRO Cc1cccc([C@H]2CCCCN2C(=O)C[C@H]2CCC[NH2+]2)c1C ZINC000161339494 432775207 /nfs/dbraw/zinc/77/52/07/432775207.db2.gz ZKSGBEJDSNJIQJ-SJLPKXTDSA-N 1 0 300.446 3.499 20 70 DGIDRO CCc1nc(C)c([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)s1 ZINC000161418052 432777987 /nfs/dbraw/zinc/77/79/87/432777987.db2.gz IUXIXZBHHWCZKZ-SWLSCSKDSA-N 1 0 304.459 3.441 20 70 DGIDRO CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)s1 ZINC000161417773 432778170 /nfs/dbraw/zinc/77/81/70/432778170.db2.gz IUXIXZBHHWCZKZ-WFASDCNBSA-N 1 0 304.459 3.441 20 70 DGIDRO CCC[C@H]1CCCN(C(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000161446578 432779391 /nfs/dbraw/zinc/77/93/91/432779391.db2.gz PGQOHOKVWBUVJJ-HNNXBMFYSA-N 1 0 303.450 3.065 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(C(C)=O)c1 ZINC000160541446 432726964 /nfs/dbraw/zinc/72/69/64/432726964.db2.gz UNUQRFUCNVDKFQ-UHFFFAOYSA-N 1 0 319.449 3.475 20 70 DGIDRO COc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1OC(F)F ZINC000160534318 432727663 /nfs/dbraw/zinc/72/76/63/432727663.db2.gz CYMHSDHAABXDTJ-GFCCVEGCSA-N 1 0 315.360 3.344 20 70 DGIDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160551772 432728861 /nfs/dbraw/zinc/72/88/61/432728861.db2.gz SZQCOHIVXCNCQW-HNNXBMFYSA-N 1 0 307.397 3.332 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000160552480 432728915 /nfs/dbraw/zinc/72/89/15/432728915.db2.gz HLRDZRIGBJSFHH-CQSZACIVSA-N 1 0 321.417 3.259 20 70 DGIDRO Cn1c(C[NH2+][C@H]2CCOC(C)(C)C2)nc2cc(Cl)ccc21 ZINC000160564199 432729513 /nfs/dbraw/zinc/72/95/13/432729513.db2.gz FHFPLYLSPOELOP-LBPRGKRZSA-N 1 0 307.825 3.274 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CCO1 ZINC000160601056 432730375 /nfs/dbraw/zinc/73/03/75/432730375.db2.gz SEODMLQQDLCNJX-HNNXBMFYSA-N 1 0 303.381 3.263 20 70 DGIDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cnccn1 ZINC000160606178 432730431 /nfs/dbraw/zinc/73/04/31/432730431.db2.gz SSIHFLUPFKSEGD-GFCCVEGCSA-N 1 0 302.447 3.095 20 70 DGIDRO CCc1ccc(CC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000160631183 432732334 /nfs/dbraw/zinc/73/23/34/432732334.db2.gz PBLAAVDOHADOMF-QGZVFWFLSA-N 1 0 316.489 3.420 20 70 DGIDRO CCc1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)s1 ZINC000160685642 432736239 /nfs/dbraw/zinc/73/62/39/432736239.db2.gz GRETYFHVMZWLNH-UHFFFAOYSA-N 1 0 323.506 3.326 20 70 DGIDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000160725877 432738028 /nfs/dbraw/zinc/73/80/28/432738028.db2.gz SNXQFYHOQGHWGR-RDTXWAMCSA-N 1 0 314.404 3.081 20 70 DGIDRO CC[C@@H](NC(=O)CC1CC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000160761469 432738814 /nfs/dbraw/zinc/73/88/14/432738814.db2.gz LMBTXABBQDWVRT-QGZVFWFLSA-N 1 0 302.462 3.249 20 70 DGIDRO CCCC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160782610 432740676 /nfs/dbraw/zinc/74/06/76/432740676.db2.gz SEWRAWGLQMNPJS-QGZVFWFLSA-N 1 0 309.475 3.093 20 70 DGIDRO Fc1ccccc1[C@@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000160860821 432745361 /nfs/dbraw/zinc/74/53/61/432745361.db2.gz CCGHBPZNQPSREB-SFHVURJKSA-N 1 0 306.425 3.075 20 70 DGIDRO CC[C@@]1(C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000160843141 432745789 /nfs/dbraw/zinc/74/57/89/432745789.db2.gz PMWJSKHOIQWWCH-MJGOQNOKSA-N 1 0 300.446 3.203 20 70 DGIDRO Cc1ccc(SCC[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000160849027 432746200 /nfs/dbraw/zinc/74/62/00/432746200.db2.gz DVRQTHKFBHSEQA-INIZCTEOSA-N 1 0 301.459 3.488 20 70 DGIDRO O=C(N[C@H]1C=CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160270483 292811481 /nfs/dbraw/zinc/81/14/81/292811481.db2.gz FDCIZOJOQUFSRI-SFHVURJKSA-N 1 0 319.493 3.393 20 70 DGIDRO CC[NH+]1CCC(NC(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000160337557 292812736 /nfs/dbraw/zinc/81/27/36/292812736.db2.gz JQBJQABKIWUOBN-CYBMUJFWSA-N 1 0 308.853 3.119 20 70 DGIDRO FC(F)(F)CN1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000160963705 292825371 /nfs/dbraw/zinc/82/53/71/292825371.db2.gz BUSHOHXBDREGHR-CQSZACIVSA-N 1 0 312.379 3.333 20 70 DGIDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC2(c3ccccc3)CC2)[C@@H]1C ZINC000218741716 337340986 /nfs/dbraw/zinc/34/09/86/337340986.db2.gz WUWXMHAQNQDAGV-NUJGCVRESA-N 1 0 314.473 3.249 20 70 DGIDRO CCC(CC)c1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)on1 ZINC000161070127 521630285 /nfs/dbraw/zinc/63/02/85/521630285.db2.gz JEVMFOJFFQVZQD-ZDUSSCGKSA-N 1 0 307.438 3.040 20 70 DGIDRO CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160406420 521779846 /nfs/dbraw/zinc/77/98/46/521779846.db2.gz FQIRPANBIZHFTO-TZMCWYRMSA-N 1 0 316.474 3.364 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)on1 ZINC000161293315 522030512 /nfs/dbraw/zinc/03/05/12/522030512.db2.gz WOQVVEOXSUTUMH-KBPBESRZSA-N 1 0 309.454 3.428 20 70 DGIDRO COC[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(C)C ZINC000161143916 522767867 /nfs/dbraw/zinc/76/78/67/522767867.db2.gz KZHZGLLJKUUNSG-YJBOKZPZSA-N 1 0 305.418 3.170 20 70 DGIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160363625 524330670 /nfs/dbraw/zinc/33/06/70/524330670.db2.gz RMXNDJZVROKPAK-BPLDGKMQSA-N 1 0 322.399 3.059 20 70 DGIDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C1CCOCC1 ZINC000160513722 525525969 /nfs/dbraw/zinc/52/59/69/525525969.db2.gz CFILUCNPHQXGEJ-MRXNPFEDSA-N 1 0 317.477 3.223 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000160285537 525642103 /nfs/dbraw/zinc/64/21/03/525642103.db2.gz VKCBRHAIRJQDSM-GOEBONIOSA-N 1 0 311.491 3.486 20 70 DGIDRO CSC[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160306081 525657222 /nfs/dbraw/zinc/65/72/22/525657222.db2.gz ZMZSUNPNABRRJZ-HNNXBMFYSA-N 1 0 312.523 3.099 20 70 DGIDRO COCCN(C)CC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000159411748 546053288 /nfs/dbraw/zinc/05/32/88/546053288.db2.gz FRKVCFBUHXDTQB-CQSZACIVSA-N 1 0 314.882 3.045 20 70 DGIDRO CC(C)OC1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000159510395 546054361 /nfs/dbraw/zinc/05/43/61/546054361.db2.gz FOZADJBOHDXYOZ-GTPINHCMSA-N 1 0 310.482 3.103 20 70 DGIDRO CC1(C)CC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000160188620 546058796 /nfs/dbraw/zinc/05/87/96/546058796.db2.gz HFLIPCVJTQPIEQ-TZMCWYRMSA-N 1 0 311.422 3.213 20 70 DGIDRO CC(C)(CCCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160829807 546062734 /nfs/dbraw/zinc/06/27/34/546062734.db2.gz BRTWZUCNCWUPEC-SJORKVTESA-N 1 0 302.462 3.422 20 70 DGIDRO C[C@H](C(=O)NC1CC=CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000160844720 546062822 /nfs/dbraw/zinc/06/28/22/546062822.db2.gz AFBDUTUFDNGRKK-MRXNPFEDSA-N 1 0 312.457 3.164 20 70 DGIDRO COCc1ccc(C[N@H+](C)Cc2ccc(OC)cc2OC)cc1 ZINC000160832249 546063044 /nfs/dbraw/zinc/06/30/44/546063044.db2.gz CVHKUHXYTIGORD-UHFFFAOYSA-N 1 0 315.413 3.482 20 70 DGIDRO CC(C)CCOc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160960353 546063481 /nfs/dbraw/zinc/06/34/81/546063481.db2.gz CDLTYQHUJYJSAD-HOTGVXAUSA-N 1 0 304.434 3.111 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCSc2ccc(Cl)cc2)C1 ZINC000161169013 546066354 /nfs/dbraw/zinc/06/63/54/546066354.db2.gz NNOKFMUIQQKMPP-QWHCGFSZSA-N 1 0 312.866 3.208 20 70 DGIDRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1(CC)CC ZINC000161302583 546066946 /nfs/dbraw/zinc/06/69/46/546066946.db2.gz LRCZQXTVRMABIF-CABCVRRESA-N 1 0 318.452 3.289 20 70 DGIDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)sc2cccc(F)c12 ZINC000161343954 546068523 /nfs/dbraw/zinc/06/85/23/546068523.db2.gz SJLBBLWMXPIWLS-QWRGUYRKSA-N 1 0 306.406 3.349 20 70 DGIDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc2c(c1)CCC2 ZINC000218146154 627104074 /nfs/dbraw/zinc/10/40/74/627104074.db2.gz SYNOQXGBNKLJHT-ZDUSSCGKSA-N 1 0 304.434 3.351 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000159530650 186125450 /nfs/dbraw/zinc/12/54/50/186125450.db2.gz SBGAJASWSSJDDW-CYBMUJFWSA-N 1 0 309.841 3.138 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cc(C)sc2C)CC1 ZINC000159631300 186132150 /nfs/dbraw/zinc/13/21/50/186132150.db2.gz BTJOATIIAVBXRD-ZDUSSCGKSA-N 1 0 309.479 3.163 20 70 DGIDRO COc1ccc(-c2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000161267102 197480009 /nfs/dbraw/zinc/48/00/09/197480009.db2.gz DMRLLZTTZIBQQS-GOSISDBHSA-N 1 0 324.424 3.121 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000161260929 197478820 /nfs/dbraw/zinc/47/88/20/197478820.db2.gz JWFFUVWFAXABSE-UHFFFAOYSA-N 1 0 311.429 3.376 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000161217750 197475533 /nfs/dbraw/zinc/47/55/33/197475533.db2.gz IRAAHASWRWZCPQ-LBPRGKRZSA-N 1 0 322.355 3.337 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC000161198910 197473440 /nfs/dbraw/zinc/47/34/40/197473440.db2.gz NBSRJVHGVUBSLL-LBPRGKRZSA-N 1 0 319.474 3.109 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)CCc2ccccc2F)CC1 ZINC000161028983 197458099 /nfs/dbraw/zinc/45/80/99/197458099.db2.gz OXGXFOXASVUWLX-OAHLLOKOSA-N 1 0 320.452 3.243 20 70 DGIDRO CC1(C)C[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CCO1 ZINC000160562231 197421627 /nfs/dbraw/zinc/42/16/27/197421627.db2.gz WYGGDPBHJIVMTE-GFCCVEGCSA-N 1 0 321.371 3.402 20 70 DGIDRO C[C@@H](C(=O)NCCc1cc2ccccc2o1)[C@H]([NH3+])c1ccccc1 ZINC000160487454 197414504 /nfs/dbraw/zinc/41/45/04/197414504.db2.gz ATPGHCQFVBAUDY-KUHUBIRLSA-N 1 0 322.408 3.428 20 70 DGIDRO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000160517168 197418179 /nfs/dbraw/zinc/41/81/79/197418179.db2.gz SACHGISGRJIGJJ-GFCCVEGCSA-N 1 0 317.351 3.489 20 70 DGIDRO CC[C@@H](CC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(C)cc1 ZINC000160276589 197397900 /nfs/dbraw/zinc/39/79/00/197397900.db2.gz BBOIRNHRGCAFMA-SJORKVTESA-N 1 0 302.462 3.289 20 70 DGIDRO CC(C)(C)c1ccc(OCCCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160171652 197390687 /nfs/dbraw/zinc/39/06/87/197390687.db2.gz DATOXBXHDWCCOG-MRXNPFEDSA-N 1 0 318.461 3.093 20 70 DGIDRO Cc1c(Cl)c(CN(C)[C@@H](C[NH3+])C2CC2)nc2ccccc12 ZINC000160070950 197383910 /nfs/dbraw/zinc/38/39/10/197383910.db2.gz SWEHNIWKMARMFR-INIZCTEOSA-N 1 0 303.837 3.366 20 70 DGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cn1 ZINC000160040152 197382082 /nfs/dbraw/zinc/38/20/82/197382082.db2.gz XHYQGVOWAWUILR-ZDUSSCGKSA-N 1 0 314.385 3.448 20 70 DGIDRO CN(Cc1ncc(-c2cccc(Cl)c2)o1)[C@H](C[NH3+])C1CC1 ZINC000160038722 197381446 /nfs/dbraw/zinc/38/14/46/197381446.db2.gz WJFZJUMITWGFSF-CQSZACIVSA-N 1 0 305.809 3.164 20 70 DGIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(Cl)nc1C ZINC000160080495 197384602 /nfs/dbraw/zinc/38/46/02/197384602.db2.gz NZNTYQYADKRDIK-GFCCVEGCSA-N 1 0 311.857 3.284 20 70 DGIDRO CC[NH+](CC)C[C@H]1CCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159900685 197371936 /nfs/dbraw/zinc/37/19/36/197371936.db2.gz HDNSOHOVBSJDLY-QGZVFWFLSA-N 1 0 302.462 3.232 20 70 DGIDRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1cccnc1 ZINC000159895299 197371468 /nfs/dbraw/zinc/37/14/68/197371468.db2.gz HHHMNZKVBNQBJE-HOTGVXAUSA-N 1 0 310.445 3.353 20 70 DGIDRO FC(F)Oc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159489062 197357958 /nfs/dbraw/zinc/35/79/58/197357958.db2.gz KCRQPZLEONQRAA-ZNMIVQPWSA-N 1 0 309.356 3.335 20 70 DGIDRO Cc1cc(C)cc(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000159485335 197357723 /nfs/dbraw/zinc/35/77/23/197357723.db2.gz CIYSOBWXYCOEMW-OALUTQOASA-N 1 0 314.473 3.179 20 70 DGIDRO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000159499252 197358729 /nfs/dbraw/zinc/35/87/29/197358729.db2.gz ISRNSIPHQIFNEC-XJKSGUPXSA-N 1 0 303.381 3.304 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(CS(C)(=O)=O)c1 ZINC000159374319 197348400 /nfs/dbraw/zinc/34/84/00/197348400.db2.gz HDADHGHBKHOERS-HNNXBMFYSA-N 1 0 317.454 3.390 20 70 DGIDRO COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000161051343 533572783 /nfs/dbraw/zinc/57/27/83/533572783.db2.gz ZNRHZHFEHHOQID-GUTXKFCHSA-N 1 0 322.424 3.309 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000160107639 400732586 /nfs/dbraw/zinc/73/25/86/400732586.db2.gz IZPIJAJLYAYNHP-CVEARBPZSA-N 1 0 311.491 3.164 20 70 DGIDRO CC(C)(C)c1nsc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000159570448 164590361 /nfs/dbraw/zinc/59/03/61/164590361.db2.gz VXKCUBOZWDXKKD-CYBMUJFWSA-N 1 0 308.495 3.290 20 70 DGIDRO COC(=O)CCC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000217223846 165376958 /nfs/dbraw/zinc/37/69/58/165376958.db2.gz LESXZHSUNLTRCZ-UHFFFAOYSA-N 1 0 317.429 3.319 20 70 DGIDRO COc1cc(Cl)ccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000217194246 165376978 /nfs/dbraw/zinc/37/69/78/165376978.db2.gz PLMJNHNLMQRASB-CYBMUJFWSA-N 1 0 324.852 3.229 20 70 DGIDRO C[C@@H]1CCC[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000161181024 274295185 /nfs/dbraw/zinc/29/51/85/274295185.db2.gz WVJGAVJTSKKTCE-KMFMINBZSA-N 1 0 306.425 3.371 20 70 DGIDRO C[C@H](CCn1cccn1)[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000159499669 278176628 /nfs/dbraw/zinc/17/66/28/278176628.db2.gz ISRNSIPHQIFNEC-CJNGLKHVSA-N 1 0 303.381 3.304 20 70 DGIDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc2c(c1)OCCCO2 ZINC000159958953 278385384 /nfs/dbraw/zinc/38/53/84/278385384.db2.gz YWIBDDJSQKSDRW-HIFRSBDPSA-N 1 0 305.418 3.456 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCNCc1csc(-c2ccccn2)n1 ZINC000217388678 432655219 /nfs/dbraw/zinc/65/52/19/432655219.db2.gz CEPAVUAMZYVFBW-CYBMUJFWSA-N 1 0 304.463 3.025 20 70 DGIDRO C[C@H](N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cscn1 ZINC000218258313 432658242 /nfs/dbraw/zinc/65/82/42/432658242.db2.gz JGUWHWXSEFVNMP-JQWIXIFHSA-N 1 0 311.451 3.097 20 70 DGIDRO CC[C@H](c1ccccc1)N(CCc1ccncc1)CC(=O)OC ZINC000159660114 432692399 /nfs/dbraw/zinc/69/23/99/432692399.db2.gz RPYPNEZYUUPFFR-GOSISDBHSA-N 1 0 312.413 3.250 20 70 DGIDRO CC(C)C[C@@H]1COCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159679125 432692716 /nfs/dbraw/zinc/69/27/16/432692716.db2.gz IVOMHEJTNSZALF-QGZVFWFLSA-N 1 0 324.509 3.018 20 70 DGIDRO O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000159826513 432697799 /nfs/dbraw/zinc/69/77/99/432697799.db2.gz DQWWCHOQIICEOS-PMACEKPBSA-N 1 0 320.436 3.011 20 70 DGIDRO O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000159826786 432698132 /nfs/dbraw/zinc/69/81/32/432698132.db2.gz DQWWCHOQIICEOS-VQTJNVASSA-N 1 0 320.436 3.011 20 70 DGIDRO Cc1ccccc1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159891428 432698947 /nfs/dbraw/zinc/69/89/47/432698947.db2.gz FVFSPKIYPOIPDD-UHFFFAOYSA-N 1 0 317.477 3.258 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cnn(CC)c2)c1 ZINC000159871033 432699929 /nfs/dbraw/zinc/69/99/29/432699929.db2.gz ISZKPLPQOLBSEO-AWEZNQCLSA-N 1 0 314.433 3.492 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)on1 ZINC000160548143 432726256 /nfs/dbraw/zinc/72/62/56/432726256.db2.gz WMTVEKHJRRBPCT-IHRRRGAJSA-N 1 0 307.438 3.038 20 70 DGIDRO OCC1(C[NH2+]Cc2ccccc2OC(F)(F)F)CCCC1 ZINC000160075777 432706492 /nfs/dbraw/zinc/70/64/92/432706492.db2.gz XYSRWGMWZJGNJE-UHFFFAOYSA-N 1 0 303.324 3.228 20 70 DGIDRO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000160079531 432707132 /nfs/dbraw/zinc/70/71/32/432707132.db2.gz UUQUDVFIMOPBEE-XJKSGUPXSA-N 1 0 308.853 3.495 20 70 DGIDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(CC(C)C)cc2)C1 ZINC000160124718 432707858 /nfs/dbraw/zinc/70/78/58/432707858.db2.gz HQUXOVXVYDJVPT-IBGZPJMESA-N 1 0 316.489 3.276 20 70 DGIDRO CC(C)N(C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000160139531 432708916 /nfs/dbraw/zinc/70/89/16/432708916.db2.gz KVEDNBZZQPOXLN-DOTOQJQBSA-N 1 0 315.461 3.232 20 70 DGIDRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000160187613 432709461 /nfs/dbraw/zinc/70/94/61/432709461.db2.gz LDICOOYOFZDWQN-GOSISDBHSA-N 1 0 324.424 3.440 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000160205725 432710075 /nfs/dbraw/zinc/71/00/75/432710075.db2.gz KOPOPGXNOXMFMR-SMDDNHRTSA-N 1 0 315.866 3.257 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000160196478 432710705 /nfs/dbraw/zinc/71/07/05/432710705.db2.gz OQFKBEMLDUMXMX-GXTWGEPZSA-N 1 0 317.882 3.201 20 70 DGIDRO CCC(C)(C)NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160291723 432713141 /nfs/dbraw/zinc/71/31/41/432713141.db2.gz FPUYKMVCEUYKQI-ZBFHGGJFSA-N 1 0 303.450 3.137 20 70 DGIDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2=C(C)OCCC2)cc1 ZINC000160313927 432714500 /nfs/dbraw/zinc/71/45/00/432714500.db2.gz HEFZMIYKTRYJSY-UHFFFAOYSA-N 1 0 316.445 3.229 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1sc(C(C)C)nc1C)CC2 ZINC000160358353 432715430 /nfs/dbraw/zinc/71/54/30/432715430.db2.gz UCDLZPAOWDZVIP-GWCFXTLKSA-N 1 0 319.478 3.140 20 70 DGIDRO CC[NH+]1CCC(NC(=O)/C(C)=C/c2ccccc2Cl)CC1 ZINC000160336097 432715885 /nfs/dbraw/zinc/71/58/85/432715885.db2.gz GPRWBHJTOCRWDQ-OUKQBFOZSA-N 1 0 306.837 3.344 20 70 DGIDRO C[C@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)CCN1C ZINC000160492393 432722809 /nfs/dbraw/zinc/72/28/09/432722809.db2.gz MTPFCDVLFOXNSO-JSGCOSHPSA-N 1 0 316.367 3.157 20 70 DGIDRO CC[NH+]1CCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000160464420 432723172 /nfs/dbraw/zinc/72/31/72/432723172.db2.gz NGXAFDAUXFQVBG-UHFFFAOYSA-N 1 0 319.836 3.441 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](CC(C)C)c1cccs1)CC2 ZINC000160476182 432723330 /nfs/dbraw/zinc/72/33/30/432723330.db2.gz VTZUYNVTSNQUIF-KGLIPLIRSA-N 1 0 304.463 3.340 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1sc2ccc(OC)cc2c1C ZINC000160496227 432723579 /nfs/dbraw/zinc/72/35/79/432723579.db2.gz LKZIXTLVEAURLU-UHFFFAOYSA-N 1 0 320.458 3.466 20 70 DGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000160523277 432725366 /nfs/dbraw/zinc/72/53/66/432725366.db2.gz PBCNUWYJZXULEM-GJZGRUSLSA-N 1 0 306.450 3.068 20 70 DGIDRO CS[C@H](C)CC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000159441145 432682909 /nfs/dbraw/zinc/68/29/09/432682909.db2.gz UMESHUMYLUWEDR-SOUVJXGZSA-N 1 0 300.512 3.002 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cc(F)ccc1SCC(F)F ZINC000159593082 432688134 /nfs/dbraw/zinc/68/81/34/432688134.db2.gz BZHWOAPZRUTDKC-JTQLQIEISA-N 1 0 318.364 3.264 20 70 DGIDRO C[N@@H+](Cc1cc(F)ccc1Br)C[C@H]1CCC[C@@H]1O ZINC000159587475 432688388 /nfs/dbraw/zinc/68/83/88/432688388.db2.gz WHTFYMOHFHBLMA-YGRLFVJLSA-N 1 0 316.214 3.181 20 70 DGIDRO C[NH+](C)[C@@H](CNC(=O)c1occc1-c1ccc(F)cc1)C1CC1 ZINC000159581156 432689209 /nfs/dbraw/zinc/68/92/09/432689209.db2.gz BLUJPGGSYRJZEQ-INIZCTEOSA-N 1 0 316.376 3.156 20 70 DGIDRO CC[C@@H](OC1CCCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159640993 432689584 /nfs/dbraw/zinc/68/95/84/432689584.db2.gz BRQUQRLFVZIYKM-QGZVFWFLSA-N 1 0 310.482 3.153 20 70 DGIDRO Cc1cc2cc(C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)oc2cc1C ZINC000159623828 432690522 /nfs/dbraw/zinc/69/05/22/432690522.db2.gz KCRITACWCYTPNE-KBPBESRZSA-N 1 0 300.402 3.135 20 70 DGIDRO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000160885428 432747828 /nfs/dbraw/zinc/74/78/28/432747828.db2.gz FWVSOJKNDNVPFW-FUHWJXTLSA-N 1 0 311.429 3.347 20 70 DGIDRO CCO[C@H]1C[C@@H](N(C)C(=O)CCCCCC[NH3+])C12CCCCC2 ZINC000161020420 432753739 /nfs/dbraw/zinc/75/37/39/432753739.db2.gz OWVPQTWDMMDMAI-SJORKVTESA-N 1 0 324.509 3.482 20 70 DGIDRO CC(=O)Nc1cccc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160999837 432753957 /nfs/dbraw/zinc/75/39/57/432753957.db2.gz RYUMUGKWZBCPRC-BVGQSLNGSA-N 1 0 303.450 3.168 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2cc(C)n(C(C)C)c2C)CC1 ZINC000161036423 432756864 /nfs/dbraw/zinc/75/68/64/432756864.db2.gz BXUOUGUZWBBPGN-UHFFFAOYSA-N 1 0 305.466 3.148 20 70 DGIDRO O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000161066183 432757456 /nfs/dbraw/zinc/75/74/56/432757456.db2.gz ALNASLNAEITYKJ-JKSUJKDBSA-N 1 0 314.454 3.148 20 70 DGIDRO CCC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)N(C)C)C(C)C ZINC000161066692 432758197 /nfs/dbraw/zinc/75/81/97/432758197.db2.gz LOJZYOVYPGJNLS-WBVHZDCISA-N 1 0 320.477 3.486 20 70 DGIDRO COc1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161110714 432759875 /nfs/dbraw/zinc/75/98/75/432759875.db2.gz CKMVWEXEFRIQQR-ILXRZTDVSA-N 1 0 306.450 3.227 20 70 DGIDRO CCC[NH+](CCC)CCCC(=O)Nc1ccc(OC)c(N)c1 ZINC000161130147 432761811 /nfs/dbraw/zinc/76/18/11/432761811.db2.gz AGUFLTOASGIUFT-UHFFFAOYSA-N 1 0 307.438 3.118 20 70 DGIDRO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000161194092 432764534 /nfs/dbraw/zinc/76/45/34/432764534.db2.gz WZPAXYQFZFLYER-KGLIPLIRSA-N 1 0 308.491 3.201 20 70 DGIDRO C[C@@H](c1ccncc1)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161187244 432765887 /nfs/dbraw/zinc/76/58/87/432765887.db2.gz MHFUCXWPGIVHRO-HNNXBMFYSA-N 1 0 317.477 3.359 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000161213056 432767226 /nfs/dbraw/zinc/76/72/26/432767226.db2.gz XMTOOWCWUVYNKM-LBPRGKRZSA-N 1 0 322.355 3.337 20 70 DGIDRO C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000161262420 432769585 /nfs/dbraw/zinc/76/95/85/432769585.db2.gz UBTCSNOOKMTYTC-FGTMMUONSA-N 1 0 324.509 3.210 20 70 DGIDRO C[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)COCc1ccccc1 ZINC000161312670 432772497 /nfs/dbraw/zinc/77/24/97/432772497.db2.gz UNNUZHFFBGNQQX-MAUKXSAKSA-N 1 0 313.445 3.240 20 70 DGIDRO CC[C@H](CSC)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161401106 432775923 /nfs/dbraw/zinc/77/59/23/432775923.db2.gz IJHOJIVIMKETAJ-OAHLLOKOSA-N 1 0 314.539 3.345 20 70 DGIDRO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1cccnc1 ZINC000161415610 432777861 /nfs/dbraw/zinc/77/78/61/432777861.db2.gz YCJLSBZYPPJYOG-CQSZACIVSA-N 1 0 303.450 3.017 20 70 DGIDRO COC(=O)[C@@H](C)[C@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000161439557 432780494 /nfs/dbraw/zinc/78/04/94/432780494.db2.gz UNUUZIWSYYEIOE-WMZOPIPTSA-N 1 0 318.461 3.002 20 70 DGIDRO CN(C(=O)/C=C/c1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161472229 432781445 /nfs/dbraw/zinc/78/14/45/432781445.db2.gz YRWHJHDFLFQUEJ-BJUVLCKJSA-N 1 0 304.821 3.095 20 70 DGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000160537494 432726842 /nfs/dbraw/zinc/72/68/42/432726842.db2.gz JHCUPODBUMZGHB-KBPBESRZSA-N 1 0 322.449 3.399 20 70 DGIDRO Cc1cccc2c(CCC(=O)NCC[NH+]3CCCCC3)c[nH]c21 ZINC000160570536 432728811 /nfs/dbraw/zinc/72/88/11/432728811.db2.gz LAEZCTVKGBWDDU-UHFFFAOYSA-N 1 0 313.445 3.011 20 70 DGIDRO O=C(Nc1cccc(F)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160633549 432731594 /nfs/dbraw/zinc/73/15/94/432731594.db2.gz BXDNBHZGCAICIF-HNNXBMFYSA-N 1 0 313.376 3.071 20 70 DGIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)C1 ZINC000160714261 432738095 /nfs/dbraw/zinc/73/80/95/432738095.db2.gz LYUVLVOLNOVEJA-CQSZACIVSA-N 1 0 318.417 3.297 20 70 DGIDRO CCCC[C@H](COC)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160735692 432738260 /nfs/dbraw/zinc/73/82/60/432738260.db2.gz KDRZYKOOEQVZRR-QZTJIDSGSA-N 1 0 318.461 3.145 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)ccn1 ZINC000160815525 432744171 /nfs/dbraw/zinc/74/41/71/432744171.db2.gz UNMDGUNNYQVWEU-GJZGRUSLSA-N 1 0 316.449 3.479 20 70 DGIDRO C[NH+](C)Cc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000160823326 432744656 /nfs/dbraw/zinc/74/46/56/432744656.db2.gz YKUOZQPGVYEGDY-UHFFFAOYSA-N 1 0 318.446 3.150 20 70 DGIDRO CC[C@]1(C)C[C@H]1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000160849453 432746472 /nfs/dbraw/zinc/74/64/72/432746472.db2.gz JZWXRUZAEPVDMV-FUHWJXTLSA-N 1 0 304.434 3.139 20 70 DGIDRO CC(C)[C@@H](CNC(=O)[C@@H](C)[NH3+])Cc1ccc(Cl)cc1Cl ZINC000159533080 292794402 /nfs/dbraw/zinc/79/44/02/292794402.db2.gz DHEXJXLWDXELNT-ZYHUDNBSSA-N 1 0 317.260 3.272 20 70 DGIDRO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000159916361 290275573 /nfs/dbraw/zinc/27/55/73/290275573.db2.gz MDTPWJNFQSOSSO-JKSUJKDBSA-N 1 0 310.445 3.353 20 70 DGIDRO CC(C)[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CC1 ZINC000160500590 292815632 /nfs/dbraw/zinc/81/56/32/292815632.db2.gz ZIUJCVNOMHORCB-LJQANCHMSA-N 1 0 302.462 3.043 20 70 DGIDRO Cc1nc2c(s1)[C@@H]([NH2+]CCc1ccc3c(c1)OCO3)CCC2 ZINC000161139837 292828946 /nfs/dbraw/zinc/82/89/46/292828946.db2.gz AVRSTVZGZNVDRF-ZDUSSCGKSA-N 1 0 316.426 3.390 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000161184522 292830959 /nfs/dbraw/zinc/83/09/59/292830959.db2.gz KCARDJQHRMXOLU-AWEZNQCLSA-N 1 0 310.869 3.317 20 70 DGIDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCSC1 ZINC000161249331 292832091 /nfs/dbraw/zinc/83/20/91/292832091.db2.gz ULPRATIUXLMMQJ-OLZOCXBDSA-N 1 0 302.484 3.021 20 70 DGIDRO COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)CCCO2 ZINC000161014576 295276449 /nfs/dbraw/zinc/27/64/49/295276449.db2.gz BPWFHSPWWVGRBF-RLFYNMQTSA-N 1 0 318.461 3.371 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000161469213 520994178 /nfs/dbraw/zinc/99/41/78/520994178.db2.gz YNPDTBGMTOFVCI-ZGUYJTEBSA-N 1 0 304.478 3.192 20 70 DGIDRO COc1cc([C@H](C)[NH2+][C@@H](CCO)CSC)ccc1SC ZINC000160334069 522947903 /nfs/dbraw/zinc/94/79/03/522947903.db2.gz MLBFNOMOSQOSJY-AAEUAGOBSA-N 1 0 315.504 3.182 20 70 DGIDRO C[C@H](CCc1cccc(F)c1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161424247 524235292 /nfs/dbraw/zinc/23/52/92/524235292.db2.gz YACVGXHCKZHPCB-DTWYCDNDSA-N 1 0 318.436 3.136 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(COC2CCCC2)cc1 ZINC000159603920 527166921 /nfs/dbraw/zinc/16/69/21/527166921.db2.gz RPFIDLKNYCDGJQ-MRXNPFEDSA-N 1 0 302.418 3.226 20 70 DGIDRO CCCC(O)(CCC)CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000160143752 528006776 /nfs/dbraw/zinc/00/67/76/528006776.db2.gz PXEXQDGIDRVSHC-UHFFFAOYSA-N 1 0 312.498 3.087 20 70 DGIDRO CCC[NH+]1CCC(NC(=O)CCCc2sccc2C)CC1 ZINC000159790393 528196867 /nfs/dbraw/zinc/19/68/67/528196867.db2.gz AEIKALLTMJFURI-UHFFFAOYSA-N 1 0 308.491 3.370 20 70 DGIDRO CCC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000160803675 528476308 /nfs/dbraw/zinc/47/63/08/528476308.db2.gz WFCVSTBSMFHNHW-IHRRRGAJSA-N 1 0 302.418 3.479 20 70 DGIDRO CCCOc1cccc(CC(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000160711924 528739630 /nfs/dbraw/zinc/73/96/30/528739630.db2.gz IMQNLCPBJXZLRF-UHFFFAOYSA-N 1 0 320.477 3.253 20 70 DGIDRO CCS[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159489078 529226325 /nfs/dbraw/zinc/22/63/25/529226325.db2.gz PMSYQQZMICDHEG-GJZGRUSLSA-N 1 0 315.527 3.032 20 70 DGIDRO CCCC[NH+]1CCC(NC(=O)Nc2ccnc(C)c2Cl)CC1 ZINC000159636767 546054979 /nfs/dbraw/zinc/05/49/79/546054979.db2.gz OQDJMSKSVBBMLX-UHFFFAOYSA-N 1 0 324.856 3.429 20 70 DGIDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cccc(F)c1 ZINC000160150757 546057934 /nfs/dbraw/zinc/05/79/34/546057934.db2.gz RPLTZMAJQZRLQX-DYVFJYSZSA-N 1 0 304.409 3.410 20 70 DGIDRO O=C1[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)CCN1C1CCCCC1 ZINC000160141829 546058115 /nfs/dbraw/zinc/05/81/15/546058115.db2.gz JHVKZCKFYQANPB-ZWKOTPCHSA-N 1 0 316.420 3.336 20 70 DGIDRO C[C@H](C[NH2+]Cc1ccc(Br)c2cccnc12)N(C)C ZINC000160316176 546059914 /nfs/dbraw/zinc/05/99/14/546059914.db2.gz GABQZMOTLSFAAM-LLVKDONJSA-N 1 0 322.250 3.037 20 70 DGIDRO Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160773628 546062372 /nfs/dbraw/zinc/06/23/72/546062372.db2.gz FBLKSRHOIPDQHC-UONOGXRCSA-N 1 0 315.442 3.118 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000160832802 546062492 /nfs/dbraw/zinc/06/24/92/546062492.db2.gz OMMQARHUBMYSBX-GJZGRUSLSA-N 1 0 318.486 3.478 20 70 DGIDRO COc1ccc2sc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c(C)c2c1 ZINC000160858212 546062919 /nfs/dbraw/zinc/06/29/19/546062919.db2.gz KGCJXXFFGCNHAC-NWDGAFQWSA-N 1 0 318.442 3.218 20 70 DGIDRO C[C@@H](C(=O)NC1CC=CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000160844599 546063091 /nfs/dbraw/zinc/06/30/91/546063091.db2.gz AFBDUTUFDNGRKK-INIZCTEOSA-N 1 0 312.457 3.164 20 70 DGIDRO Clc1ccc(C2(C[NH2+][C@H]3CCCOC3)CCOCC2)cc1 ZINC000160901632 546063292 /nfs/dbraw/zinc/06/32/92/546063292.db2.gz YRJAIBORIOOMCE-INIZCTEOSA-N 1 0 309.837 3.157 20 70 DGIDRO CC(C)CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160960483 546063936 /nfs/dbraw/zinc/06/39/36/546063936.db2.gz CDLTYQHUJYJSAD-HZPDHXFCSA-N 1 0 304.434 3.111 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccccc2Nc2ccccc2)C1 ZINC000160964439 546064012 /nfs/dbraw/zinc/06/40/12/546064012.db2.gz NEDHXDDTIAUQHK-GOEBONIOSA-N 1 0 309.413 3.430 20 70 DGIDRO Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161009960 546064962 /nfs/dbraw/zinc/06/49/62/546064962.db2.gz IMXYYVDPWVRYMC-HOTGVXAUSA-N 1 0 309.413 3.057 20 70 DGIDRO Cc1nc(-c2cccs2)sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161007521 546065091 /nfs/dbraw/zinc/06/50/91/546065091.db2.gz QJVBWNNSRYSXQC-QWRGUYRKSA-N 1 0 321.471 3.180 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000161133943 546065475 /nfs/dbraw/zinc/06/54/75/546065475.db2.gz DNZDAQPGCAIQLO-NEPJUHHUSA-N 1 0 302.349 3.085 20 70 DGIDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161206972 546065576 /nfs/dbraw/zinc/06/55/76/546065576.db2.gz TZTAPXZEOAVROX-JQWIXIFHSA-N 1 0 306.406 3.240 20 70 DGIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(Cl)c(Cl)c1 ZINC000161179448 546065767 /nfs/dbraw/zinc/06/57/67/546065767.db2.gz PNGJGKFARYQPNH-UHFFFAOYSA-N 1 0 324.273 3.250 20 70 DGIDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161206745 546066314 /nfs/dbraw/zinc/06/63/14/546066314.db2.gz TZTAPXZEOAVROX-CMPLNLGQSA-N 1 0 306.406 3.240 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000161483751 546069072 /nfs/dbraw/zinc/06/90/72/546069072.db2.gz XTQAJBXIXHJLRC-DLBZAZTESA-N 1 0 318.436 3.414 20 70 DGIDRO CC(C)CCC[C@H](C)NC(=O)CN1CCC[C@@H]1c1cccn1C ZINC000216723526 546262904 /nfs/dbraw/zinc/26/29/04/546262904.db2.gz UKOHENKMKGYITP-FUHWJXTLSA-N 1 0 319.493 3.493 20 70 DGIDRO COCCN(CC[NH2+]C1CCCCCC1)C(=O)OC(C)(C)C ZINC000218144479 627104221 /nfs/dbraw/zinc/10/42/21/627104221.db2.gz DEKRVOFXXLMPDK-UHFFFAOYSA-N 1 0 314.470 3.182 20 70 DGIDRO Cc1c([C@@H](C)[NH2+]CCC(C)(C)O)cnn1-c1ccc(F)cc1 ZINC000159571714 186127899 /nfs/dbraw/zinc/12/78/99/186127899.db2.gz ZCOTZGVXVMBZBG-GFCCVEGCSA-N 1 0 305.397 3.131 20 70 DGIDRO Cc1c([C@H](C)[NH2+][C@H]2CCCSC2)nnn1-c1ccc(F)cc1 ZINC000159598008 186129887 /nfs/dbraw/zinc/12/98/87/186129887.db2.gz GAHOMQLQGZRQBI-FZMZJTMJSA-N 1 0 320.437 3.261 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000159609143 186130842 /nfs/dbraw/zinc/13/08/42/186130842.db2.gz VNTAEVQMRPKCJG-ZDUSSCGKSA-N 1 0 318.367 3.354 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)C[C@H](C)c2cccc(F)c2)CC1 ZINC000161054027 197460758 /nfs/dbraw/zinc/46/07/58/197460758.db2.gz GBAWSNOCFBFCSV-AWEZNQCLSA-N 1 0 306.425 3.167 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(Oc2ccccc2)o1 ZINC000160483094 197415082 /nfs/dbraw/zinc/41/50/82/197415082.db2.gz WOOFSUVMARHXIB-UHFFFAOYSA-N 1 0 302.374 3.319 20 70 DGIDRO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000160273553 197396793 /nfs/dbraw/zinc/39/67/93/197396793.db2.gz VQUBQCWXXNMSRX-PONJGIIJSA-N 1 0 322.518 3.339 20 70 DGIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc([S@](C)=O)cc1 ZINC000160036769 197381409 /nfs/dbraw/zinc/38/14/09/197381409.db2.gz OHPZMLYWNDMUJE-LBJGKRIESA-N 1 0 323.483 3.044 20 70 DGIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)[nH]c3ccc(Cl)cc32)C1 ZINC000160125894 197388081 /nfs/dbraw/zinc/38/80/81/197388081.db2.gz XCTCSWXDEKILFS-LBPRGKRZSA-N 1 0 319.836 3.201 20 70 DGIDRO COc1ccc(C[N@H+](C)CCC(=O)c2ccc(C)cc2)cc1O ZINC000160107658 197386608 /nfs/dbraw/zinc/38/66/08/197386608.db2.gz KVQPJICZWBKMTF-UHFFFAOYSA-N 1 0 313.397 3.414 20 70 DGIDRO C[C@]1(c2ccccc2)CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000160105586 197386057 /nfs/dbraw/zinc/38/60/57/197386057.db2.gz QBBJEWWBFRQBRQ-SFHVURJKSA-N 1 0 300.446 3.228 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000160099520 197385704 /nfs/dbraw/zinc/38/57/04/197385704.db2.gz BXZQKJNCAVGMPW-CABCVRRESA-N 1 0 319.449 3.024 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc(C)c2C)CC1 ZINC000159869588 197370481 /nfs/dbraw/zinc/37/04/81/197370481.db2.gz RNWDCGDNIXSSAN-MRXNPFEDSA-N 1 0 303.450 3.102 20 70 DGIDRO CCCOc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159852851 197369489 /nfs/dbraw/zinc/36/94/89/197369489.db2.gz RLDAVZOTPBIRMS-UHFFFAOYSA-N 1 0 316.445 3.080 20 70 DGIDRO Cc1cc(C)cc(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000159766422 197362889 /nfs/dbraw/zinc/36/28/89/197362889.db2.gz TUIURURAJQJWPU-MOPGFXCFSA-N 1 0 314.473 3.179 20 70 DGIDRO FC(F)Oc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159489298 197358061 /nfs/dbraw/zinc/35/80/61/197358061.db2.gz KCRQPZLEONQRAA-KFWWJZLASA-N 1 0 309.356 3.335 20 70 DGIDRO C[C@@H](CCn1cccn1)[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000159499538 197358777 /nfs/dbraw/zinc/35/87/77/197358777.db2.gz ISRNSIPHQIFNEC-BBRMVZONSA-N 1 0 303.381 3.304 20 70 DGIDRO CC[C@@H](C)[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000159365377 197347340 /nfs/dbraw/zinc/34/73/40/197347340.db2.gz FVPRNHMBWPHINV-SUMDDJOVSA-N 1 0 300.446 3.028 20 70 DGIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC000159764413 400731408 /nfs/dbraw/zinc/73/14/08/400731408.db2.gz OOZRUWXISGDPAW-NORHQAJESA-N 1 0 300.446 3.471 20 70 DGIDRO CC[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000161327829 400740142 /nfs/dbraw/zinc/74/01/42/400740142.db2.gz FZCYWEZTXTVNJI-AWEZNQCLSA-N 1 0 303.855 3.206 20 70 DGIDRO Cc1nc2ccccc2cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000218399179 165378136 /nfs/dbraw/zinc/37/81/36/165378136.db2.gz WPNAQVWLIAQZLI-UHFFFAOYSA-N 1 0 311.429 3.149 20 70 DGIDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1COc2ccccc2O1 ZINC000217391168 165378671 /nfs/dbraw/zinc/37/86/71/165378671.db2.gz CHQGRJDRMDWICJ-QGZVFWFLSA-N 1 0 313.397 3.357 20 70 DGIDRO C[NH+](C)Cc1cccc(C(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC000159520863 228241748 /nfs/dbraw/zinc/24/17/48/228241748.db2.gz OQYNTIKXLDFOQM-UHFFFAOYSA-N 1 0 321.424 3.202 20 70 DGIDRO Fc1cc(F)cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000159569738 228242675 /nfs/dbraw/zinc/24/26/75/228242675.db2.gz XRRNJYCNHGRJNV-MRXNPFEDSA-N 1 0 306.356 3.485 20 70 DGIDRO Cc1ccc(C(C)(C)CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160555022 228247444 /nfs/dbraw/zinc/24/74/44/228247444.db2.gz KTVLCWOXISBWQP-CALCHBBNSA-N 1 0 300.446 3.016 20 70 DGIDRO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000161039327 228250190 /nfs/dbraw/zinc/25/01/90/228250190.db2.gz RERDGWONEYQULA-BEFAXECRSA-N 1 0 308.425 3.483 20 70 DGIDRO CC(C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000160930509 277883918 /nfs/dbraw/zinc/88/39/18/277883918.db2.gz DMZGRDGJWCZOMO-JYJNAYRXSA-N 1 0 318.461 3.070 20 70 DGIDRO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@H](C)CO1 ZINC000161469067 281369996 /nfs/dbraw/zinc/36/99/96/281369996.db2.gz HATMDTXUEARMAJ-BEFAXECRSA-N 1 0 324.424 3.056 20 70 DGIDRO C(c1noc2c1CCCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000217027851 432653457 /nfs/dbraw/zinc/65/34/57/432653457.db2.gz CTLLYEAZDQUQQE-UHFFFAOYSA-N 1 0 317.477 3.251 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccccc1OC(F)(F)F ZINC000217399808 432654071 /nfs/dbraw/zinc/65/40/71/432654071.db2.gz NOKXKNGYFYOVET-GFCCVEGCSA-N 1 0 304.356 3.405 20 70 DGIDRO CCSCC[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000159654858 432692658 /nfs/dbraw/zinc/69/26/58/432692658.db2.gz YMNBVSNUZRPIIC-QGZVFWFLSA-N 1 0 309.475 3.429 20 70 DGIDRO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C(C)C)C(C)C)n1 ZINC000160100135 432706024 /nfs/dbraw/zinc/70/60/24/432706024.db2.gz GVBVUOXJNGVPTG-KRWDZBQOSA-N 1 0 303.450 3.172 20 70 DGIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000160127596 432708011 /nfs/dbraw/zinc/70/80/11/432708011.db2.gz HJUPMVRLHZLURT-ZDUSSCGKSA-N 1 0 316.376 3.157 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160135084 432709161 /nfs/dbraw/zinc/70/91/61/432709161.db2.gz HNTHLMSNOFVVBJ-IRXDYDNUSA-N 1 0 314.477 3.312 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000160214105 432711295 /nfs/dbraw/zinc/71/12/95/432711295.db2.gz ZQDODXBOOKVBIM-RYUDHWBXSA-N 1 0 319.417 3.361 20 70 DGIDRO C[NH+](C)[C@@H](CNC(=O)N1CCC2(CCC2)C1)C1CCCCC1 ZINC000160259989 432712945 /nfs/dbraw/zinc/71/29/45/432712945.db2.gz BKKPDSNWVGYNTH-INIZCTEOSA-N 1 0 307.482 3.083 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1sc(C(C)C)nc1C)CC2 ZINC000160358230 432715598 /nfs/dbraw/zinc/71/55/98/432715598.db2.gz UCDLZPAOWDZVIP-MFKMUULPSA-N 1 0 319.478 3.140 20 70 DGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000160381212 432718075 /nfs/dbraw/zinc/71/80/75/432718075.db2.gz FGWSANFURVSTDR-LLVKDONJSA-N 1 0 302.871 3.181 20 70 DGIDRO O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000160496360 432723342 /nfs/dbraw/zinc/72/33/42/432723342.db2.gz VKAGDNWGGAPMLP-AWEZNQCLSA-N 1 0 306.475 3.208 20 70 DGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000160523154 432724650 /nfs/dbraw/zinc/72/46/50/432724650.db2.gz PBCNUWYJZXULEM-CABCVRRESA-N 1 0 306.450 3.068 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)NCCc1ccccc1 ZINC000159419111 432682736 /nfs/dbraw/zinc/68/27/36/432682736.db2.gz OXPUMWQFWCJERZ-IAGOWNOFSA-N 1 0 310.441 3.393 20 70 DGIDRO CCC(CC)(CC)CNC(=O)N1CCN(c2ccccn2)CC1 ZINC000159579944 432688512 /nfs/dbraw/zinc/68/85/12/432688512.db2.gz MRWDXZIYKCTCMQ-UHFFFAOYSA-N 1 0 318.465 3.130 20 70 DGIDRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc21 ZINC000160903412 432749568 /nfs/dbraw/zinc/74/95/68/432749568.db2.gz FJBNGPJLTNGQLV-HUUCEWRRSA-N 1 0 313.445 3.337 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000161056421 432756652 /nfs/dbraw/zinc/75/66/52/432756652.db2.gz MGYJJFYEIRKEDB-DLBZAZTESA-N 1 0 320.864 3.292 20 70 DGIDRO COc1cccc(-c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000161078210 432757762 /nfs/dbraw/zinc/75/77/62/432757762.db2.gz MYFFFYSXJGYQSJ-ZWKOTPCHSA-N 1 0 324.424 3.106 20 70 DGIDRO CCC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)C(C)C ZINC000161085944 432757839 /nfs/dbraw/zinc/75/78/39/432757839.db2.gz HNSQWQAUUZSMJK-QZTJIDSGSA-N 1 0 320.477 3.486 20 70 DGIDRO CC(C)(CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)Cc1ccccc1 ZINC000161075900 432758460 /nfs/dbraw/zinc/75/84/60/432758460.db2.gz VPQLWZAMKLLLMX-IBGZPJMESA-N 1 0 322.452 3.086 20 70 DGIDRO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000161097446 432759155 /nfs/dbraw/zinc/75/91/55/432759155.db2.gz LFXMIWCPABBKLM-XIKOKIGWSA-N 1 0 312.388 3.338 20 70 DGIDRO CCN1CCCC[C@@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000161188416 432765653 /nfs/dbraw/zinc/76/56/53/432765653.db2.gz QLCVEIVLGRJFHG-LJQANCHMSA-N 1 0 301.478 3.119 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)on1 ZINC000161215291 432766340 /nfs/dbraw/zinc/76/63/40/432766340.db2.gz LEPKSSPVQGSCRW-KGLIPLIRSA-N 1 0 307.438 3.040 20 70 DGIDRO C[C@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000161293916 432771332 /nfs/dbraw/zinc/77/13/32/432771332.db2.gz LSUGDSSFPMWEJX-KMMZQJMOSA-N 1 0 306.837 3.281 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCOc2ccc(C(C)C)cc2)CC1 ZINC000161332530 432773102 /nfs/dbraw/zinc/77/31/02/432773102.db2.gz REISKTNWYCGVST-UHFFFAOYSA-N 1 0 318.461 3.226 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC2(c3ccccc3C)CC2)CC1 ZINC000161406213 432777956 /nfs/dbraw/zinc/77/79/56/432777956.db2.gz OSMTWSKCOJRJGN-UHFFFAOYSA-N 1 0 300.446 3.064 20 70 DGIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccccc1OC(F)(F)F ZINC000161431840 432778564 /nfs/dbraw/zinc/77/85/64/432778564.db2.gz XQVBRWDTKJGZHH-LLVKDONJSA-N 1 0 302.340 3.330 20 70 DGIDRO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)s1 ZINC000161417921 432778604 /nfs/dbraw/zinc/77/86/04/432778604.db2.gz IUXIXZBHHWCZKZ-IUODEOHRSA-N 1 0 304.459 3.441 20 70 DGIDRO COc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1OC(F)F ZINC000160534442 432727536 /nfs/dbraw/zinc/72/75/36/432727536.db2.gz CYMHSDHAABXDTJ-LBPRGKRZSA-N 1 0 315.360 3.344 20 70 DGIDRO CC[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCOC1 ZINC000160623673 432731820 /nfs/dbraw/zinc/73/18/20/432731820.db2.gz ZDEGHBKRLSPQCG-KBPBESRZSA-N 1 0 308.491 3.359 20 70 DGIDRO Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000160640046 432731924 /nfs/dbraw/zinc/73/19/24/432731924.db2.gz MNOJNTINURWAKK-UHFFFAOYSA-N 1 0 306.413 3.423 20 70 DGIDRO CC(C)COCC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160710745 432737681 /nfs/dbraw/zinc/73/76/81/432737681.db2.gz LYIUUOAKWRSQHZ-INIZCTEOSA-N 1 0 301.434 3.255 20 70 DGIDRO CS[C@@H](C)CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160809600 432743126 /nfs/dbraw/zinc/74/31/26/432743126.db2.gz KDQBAPOPFZAPDL-HNNXBMFYSA-N 1 0 312.523 3.243 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000160814583 432744841 /nfs/dbraw/zinc/74/48/41/432744841.db2.gz SQBZONUECYUSMH-RYRKJORJSA-N 1 0 319.493 3.325 20 70 DGIDRO Cc1ncc([C@H](C)[NH2+]C[C@H](C)N(C)Cc2ccccc2)c(C)n1 ZINC000160862805 432746435 /nfs/dbraw/zinc/74/64/35/432746435.db2.gz XTBUQTUNRUVXAK-GJZGRUSLSA-N 1 0 312.461 3.265 20 70 DGIDRO O=C(N[C@H](Cc1ccccc1)C1CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000159826903 292801520 /nfs/dbraw/zinc/80/15/20/292801520.db2.gz DQWWCHOQIICEOS-WOJBJXKFSA-N 1 0 320.436 3.011 20 70 DGIDRO CC(C)n1cc2cc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)ccc2n1 ZINC000160068509 292807031 /nfs/dbraw/zinc/80/70/31/292807031.db2.gz VODKNDIGSIHNJD-KRWDZBQOSA-N 1 0 322.412 3.126 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000160166262 292808942 /nfs/dbraw/zinc/80/89/42/292808942.db2.gz JJSASIYBMLXTIC-HZPDHXFCSA-N 1 0 311.491 3.164 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000160166100 292808955 /nfs/dbraw/zinc/80/89/55/292808955.db2.gz JJSASIYBMLXTIC-CVEARBPZSA-N 1 0 311.491 3.164 20 70 DGIDRO CCC[C@]1(C)CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160933313 292824722 /nfs/dbraw/zinc/82/47/22/292824722.db2.gz ZHLXNHBWFXTNND-IEBWSBKVSA-N 1 0 300.446 3.130 20 70 DGIDRO FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000160963841 292825360 /nfs/dbraw/zinc/82/53/60/292825360.db2.gz BUSHOHXBDREGHR-AWEZNQCLSA-N 1 0 312.379 3.333 20 70 DGIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000161115158 292828039 /nfs/dbraw/zinc/82/80/39/292828039.db2.gz TUJARZLMHIGVCA-LBPRGKRZSA-N 1 0 313.353 3.037 20 70 DGIDRO CC[C@H](C(=O)NCC1(c2ccc(Cl)cc2)CCC1)[NH+](C)C ZINC000161152152 292829446 /nfs/dbraw/zinc/82/94/46/292829446.db2.gz VMMRSBZLLBIKSA-OAHLLOKOSA-N 1 0 308.853 3.218 20 70 DGIDRO O[C@@H](C1CC[NH+](Cc2cccc3cccnc32)CC1)C(F)(F)F ZINC000161221161 292831611 /nfs/dbraw/zinc/83/16/11/292831611.db2.gz VPNCDBGMOZSRNY-INIZCTEOSA-N 1 0 324.346 3.370 20 70 DGIDRO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000160984474 302022834 /nfs/dbraw/zinc/02/28/34/302022834.db2.gz MCIBEYFSIACVAS-MSOLQXFVSA-N 1 0 300.446 3.438 20 70 DGIDRO Clc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc(C2CC2)n1 ZINC000160455117 302886355 /nfs/dbraw/zinc/88/63/55/302886355.db2.gz GPPBRHWTIJWXPA-CQSZACIVSA-N 1 0 320.868 3.462 20 70 DGIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000159489989 303359080 /nfs/dbraw/zinc/35/90/80/303359080.db2.gz LEVADMHMNCQRMJ-ZIAGYGMSSA-N 1 0 306.837 3.221 20 70 DGIDRO Cc1cccc(COc2cccc(C(=O)N3CCC[C@H]3C[NH3+])c2)c1 ZINC000160341582 500983079 /nfs/dbraw/zinc/98/30/79/500983079.db2.gz JSPBHFHRLBIRCA-SFHVURJKSA-N 1 0 324.424 3.137 20 70 DGIDRO Cc1ccsc1CCCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000160242153 534460813 /nfs/dbraw/zinc/46/08/13/534460813.db2.gz OMLAMRJQYJCNIN-UHFFFAOYSA-N 1 0 306.475 3.122 20 70 DGIDRO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000159712993 534736673 /nfs/dbraw/zinc/73/66/73/534736673.db2.gz XLIATXJAROBNBD-FKSLSLAPSA-N 1 0 312.457 3.360 20 70 DGIDRO O=C(c1cccc(Oc2ccccc2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159590635 534739387 /nfs/dbraw/zinc/73/93/87/534739387.db2.gz YXSVQSAXWVOTLP-CALCHBBNSA-N 1 0 322.408 3.445 20 70 DGIDRO Cc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)nc(C2CC2)n1 ZINC000160450954 525072633 /nfs/dbraw/zinc/07/26/33/525072633.db2.gz AXITZNXJRDLJQA-INIZCTEOSA-N 1 0 300.450 3.117 20 70 DGIDRO Oc1ccc(C2=CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160421260 526343313 /nfs/dbraw/zinc/34/33/13/526343313.db2.gz XBNAJCFGLOLNTI-UHFFFAOYSA-N 1 0 300.446 3.357 20 70 DGIDRO CC(C)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc2n1 ZINC000159644107 528024949 /nfs/dbraw/zinc/02/49/49/528024949.db2.gz KASZHBAOTOWEIV-GASCZTMLSA-N 1 0 323.440 3.325 20 70 DGIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000160087582 529344238 /nfs/dbraw/zinc/34/42/38/529344238.db2.gz NKNLXFBYHTXEAI-ZBFHGGJFSA-N 1 0 308.466 3.475 20 70 DGIDRO Cc1nccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1Cl ZINC000159706012 546056001 /nfs/dbraw/zinc/05/60/01/546056001.db2.gz WTRWPOWJBLZVNB-LBPRGKRZSA-N 1 0 324.856 3.287 20 70 DGIDRO Cc1nccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1Cl ZINC000159753214 546056320 /nfs/dbraw/zinc/05/63/20/546056320.db2.gz BKEAHDRFWQWYGR-UHFFFAOYSA-N 1 0 324.856 3.382 20 70 DGIDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1F ZINC000160177319 546059469 /nfs/dbraw/zinc/05/94/69/546059469.db2.gz RKTIVTHESHTWCZ-DYVFJYSZSA-N 1 0 304.409 3.410 20 70 DGIDRO C[C@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccncc1 ZINC000160737569 546061524 /nfs/dbraw/zinc/06/15/24/546061524.db2.gz GQSQZIMWMCJFKB-AEFFLSMTSA-N 1 0 315.461 3.052 20 70 DGIDRO CC(C)[NH+](CCCNC(=O)C[C@@H](C)c1ccncc1)C(C)C ZINC000160884049 546062479 /nfs/dbraw/zinc/06/24/79/546062479.db2.gz ZJVTXELGGGOXAO-MRXNPFEDSA-N 1 0 305.466 3.200 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000160832643 546062741 /nfs/dbraw/zinc/06/27/41/546062741.db2.gz OMMQARHUBMYSBX-LSDHHAIUSA-N 1 0 318.486 3.478 20 70 DGIDRO Cc1nc(-c2ccccc2)sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160774014 546063052 /nfs/dbraw/zinc/06/30/52/546063052.db2.gz FBLKSRHOIPDQHC-KGLIPLIRSA-N 1 0 315.442 3.118 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000160972429 546063839 /nfs/dbraw/zinc/06/38/39/546063839.db2.gz PPQUUWJGNGQKIJ-ROUUACIJSA-N 1 0 308.425 3.205 20 70 DGIDRO CCSc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161003786 546064599 /nfs/dbraw/zinc/06/45/99/546064599.db2.gz RXIKIHQCPJOYDT-RYUDHWBXSA-N 1 0 312.866 3.452 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CCc2ccccc2)C1 ZINC000161175893 546065531 /nfs/dbraw/zinc/06/55/31/546065531.db2.gz GWTMNNOFSZCVOZ-MOPGFXCFSA-N 1 0 322.452 3.472 20 70 DGIDRO COc1ccc(CCCCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161277906 546066975 /nfs/dbraw/zinc/06/69/75/546066975.db2.gz YUILIYMGALFGRJ-SJORKVTESA-N 1 0 318.461 3.184 20 70 DGIDRO COc1ccc(Cl)cc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161369855 546067814 /nfs/dbraw/zinc/06/78/14/546067814.db2.gz PLGRPUOTBIFQHE-UHFFFAOYSA-N 1 0 317.820 3.066 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000161484145 546069019 /nfs/dbraw/zinc/06/90/19/546069019.db2.gz XTQAJBXIXHJLRC-SJORKVTESA-N 1 0 318.436 3.414 20 70 DGIDRO OCCCCCC[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000216652685 626996494 /nfs/dbraw/zinc/99/64/94/626996494.db2.gz ORHKSGVZXZYIEU-LJQANCHMSA-N 1 0 304.478 3.356 20 70 DGIDRO CCOc1ccccc1[C@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000218166048 627104739 /nfs/dbraw/zinc/10/47/39/627104739.db2.gz POAWUTSRXWXUAJ-ZDUSSCGKSA-N 1 0 308.422 3.261 20 70 DGIDRO CCc1ccccc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000160713371 529567746 /nfs/dbraw/zinc/56/77/46/529567746.db2.gz ZVWDCQQYJLLIER-GOSISDBHSA-N 1 0 310.441 3.152 20 70 DGIDRO CCc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](CC)CC2)cc1 ZINC000159531570 529720367 /nfs/dbraw/zinc/72/03/67/529720367.db2.gz WCZDOMYPWIZFNN-HNNXBMFYSA-N 1 0 303.450 3.047 20 70 DGIDRO CS[C@H]1CCC[C@@H](NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000159573246 186128087 /nfs/dbraw/zinc/12/80/87/186128087.db2.gz TVPHYJMYTSMDGJ-DMRZNYOFSA-N 1 0 306.475 3.113 20 70 DGIDRO [NH3+]C1(CNC(=O)/C=C/c2nc3ccccc3s2)CCCCC1 ZINC000159621343 186131402 /nfs/dbraw/zinc/13/14/02/186131402.db2.gz XXLUQUHVNZRVHG-CMDGGOBGSA-N 1 0 315.442 3.087 20 70 DGIDRO CSCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159706413 186136924 /nfs/dbraw/zinc/13/69/24/186136924.db2.gz HJLDNMQSAVHULQ-QGZVFWFLSA-N 1 0 320.502 3.301 20 70 DGIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000161350213 197487910 /nfs/dbraw/zinc/48/79/10/197487910.db2.gz VILSMIQMHWGTDD-IRXDYDNUSA-N 1 0 316.489 3.376 20 70 DGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161373364 197489302 /nfs/dbraw/zinc/48/93/02/197489302.db2.gz UZSLOTWLSAVUTF-CQSZACIVSA-N 1 0 306.425 3.094 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)CC2 ZINC000160483941 197414522 /nfs/dbraw/zinc/41/45/22/197414522.db2.gz WTDDDWKAANNNNB-YGRLFVJLSA-N 1 0 324.350 3.271 20 70 DGIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000160237186 197395068 /nfs/dbraw/zinc/39/50/68/197395068.db2.gz ALFYYDRELZAHOB-LBPRGKRZSA-N 1 0 321.833 3.027 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000160071436 197383420 /nfs/dbraw/zinc/38/34/20/197383420.db2.gz RJYJEVKQAYUPAF-GJZGRUSLSA-N 1 0 319.449 3.024 20 70 DGIDRO C[C@H](CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000160132561 197388370 /nfs/dbraw/zinc/38/83/70/197388370.db2.gz CAEBNSBJIIZIAV-CHWSQXEVSA-N 1 0 322.399 3.059 20 70 DGIDRO CC(C)(CCCc1ccccc1)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000160122242 197387382 /nfs/dbraw/zinc/38/73/82/197387382.db2.gz PRULBXPHUCTHNC-KRWDZBQOSA-N 1 0 302.462 3.151 20 70 DGIDRO CSCC[C@H]([NH3+])C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000160122638 197386842 /nfs/dbraw/zinc/38/68/42/197386842.db2.gz XAWJWOJUGBPOBA-INIZCTEOSA-N 1 0 322.518 3.232 20 70 DGIDRO CC1(C)C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CCO1 ZINC000159955727 197375840 /nfs/dbraw/zinc/37/58/40/197375840.db2.gz XHDVYWZMFNJVHZ-LJQANCHMSA-N 1 0 316.489 3.241 20 70 DGIDRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1cccnc1 ZINC000159895693 197371564 /nfs/dbraw/zinc/37/15/64/197371564.db2.gz HHHMNZKVBNQBJE-HZPDHXFCSA-N 1 0 310.445 3.353 20 70 DGIDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c1 ZINC000159840907 197368071 /nfs/dbraw/zinc/36/80/71/197368071.db2.gz NUJRFQRYMIEARC-KSSFIOAISA-N 1 0 316.445 3.472 20 70 DGIDRO CCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159512060 197360289 /nfs/dbraw/zinc/36/02/89/197360289.db2.gz QZKBVVVECSPTNI-JLSDUUJJSA-N 1 0 317.429 3.141 20 70 DGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2scnc2C)cc1 ZINC000159395738 197350777 /nfs/dbraw/zinc/35/07/77/197350777.db2.gz IKXGNXDFEMOGIM-NSHDSACASA-N 1 0 324.471 3.096 20 70 DGIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1nccn1C(F)F ZINC000159375833 197349212 /nfs/dbraw/zinc/34/92/12/197349212.db2.gz QPUNWHUCFQQYAH-UHFFFAOYSA-N 1 0 322.403 3.278 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCO1 ZINC000160647752 292819132 /nfs/dbraw/zinc/81/91/32/292819132.db2.gz MURNDDDETDNARP-WMZOPIPTSA-N 1 0 319.445 3.292 20 70 DGIDRO CC[C@@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000160799999 286745638 /nfs/dbraw/zinc/74/56/38/286745638.db2.gz GQQFEUGCBNJJEU-YESZJQIVSA-N 1 0 306.425 3.308 20 70 DGIDRO Cc1nc(CC[NH2+]Cc2cccc3c2OC(C)(C)C3)cs1 ZINC000217793952 165377974 /nfs/dbraw/zinc/37/79/74/165377974.db2.gz JGABJWJJBOUHOF-UHFFFAOYSA-N 1 0 302.443 3.497 20 70 DGIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CCCCC1 ZINC000159489852 228241509 /nfs/dbraw/zinc/24/15/09/228241509.db2.gz LEVADMHMNCQRMJ-UONOGXRCSA-N 1 0 306.837 3.221 20 70 DGIDRO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159562629 228243096 /nfs/dbraw/zinc/24/30/96/228243096.db2.gz XCUYXUFDYIQYLI-FPMFFAJLSA-N 1 0 324.877 3.174 20 70 DGIDRO Cc1cccc([C@H](C)CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000160735433 228247982 /nfs/dbraw/zinc/24/79/82/228247982.db2.gz SNMREPQEVOEAAL-LZLYRXPVSA-N 1 0 302.462 3.241 20 70 DGIDRO Brc1cccc([C@@H]2CC[N@H+](C[C@@H]3CCCO3)C2)c1 ZINC000217267655 432654784 /nfs/dbraw/zinc/65/47/84/432654784.db2.gz ORWFMBXJHDKMEV-HIFRSBDPSA-N 1 0 310.235 3.417 20 70 DGIDRO OCC[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000159741268 432694165 /nfs/dbraw/zinc/69/41/65/432694165.db2.gz BAMNVNKVZMWNCJ-CYBMUJFWSA-N 1 0 303.324 3.322 20 70 DGIDRO O=C([C@H]1C[C@H]1C1CCCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159748021 432695501 /nfs/dbraw/zinc/69/55/01/432695501.db2.gz ZNHUSNUDCZFCKS-ROUUACIJSA-N 1 0 304.478 3.193 20 70 DGIDRO CCCCNC(=O)c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000160114352 432706979 /nfs/dbraw/zinc/70/69/79/432706979.db2.gz UBUSVYFMULAVGE-UHFFFAOYSA-N 1 0 322.452 3.474 20 70 DGIDRO CC[N@H+](Cc1ccc(C(=O)N2CCOC(C)(C)C2)cc1)C(C)C ZINC000160096446 432707539 /nfs/dbraw/zinc/70/75/39/432707539.db2.gz GGBZWESJXVLOOQ-UHFFFAOYSA-N 1 0 318.461 3.168 20 70 DGIDRO CC(C)N(C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000160139136 432708795 /nfs/dbraw/zinc/70/87/95/432708795.db2.gz KVEDNBZZQPOXLN-WBVHZDCISA-N 1 0 315.461 3.232 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000160196347 432710591 /nfs/dbraw/zinc/71/05/91/432710591.db2.gz OQFKBEMLDUMXMX-TZMCWYRMSA-N 1 0 317.882 3.201 20 70 DGIDRO O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160221170 432711924 /nfs/dbraw/zinc/71/19/24/432711924.db2.gz UQLOKILOWNWIIS-ZBFHGGJFSA-N 1 0 322.399 3.061 20 70 DGIDRO C/C(=C/C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000160263917 432713636 /nfs/dbraw/zinc/71/36/36/432713636.db2.gz ZXTKVSYVMLENPC-MMRAYRKESA-N 1 0 312.335 3.058 20 70 DGIDRO CC[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)Oc1ccccc1F ZINC000160338615 432716460 /nfs/dbraw/zinc/71/64/60/432716460.db2.gz YODPGMGJHRKPTC-CZUORRHYSA-N 1 0 317.408 3.384 20 70 DGIDRO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc(C(C)C)n1 ZINC000160456764 432721834 /nfs/dbraw/zinc/72/18/34/432721834.db2.gz CTXSURHXZOSXIT-MRXNPFEDSA-N 1 0 302.466 3.363 20 70 DGIDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCCO2 ZINC000160467338 432723246 /nfs/dbraw/zinc/72/32/46/432723246.db2.gz SYJYVUGJBZWZAX-XYPHTWIQSA-N 1 0 305.418 3.050 20 70 DGIDRO Cc1cc(N2CCN([C@H](C)c3ccsc3)CC2)nc(C)n1 ZINC000160512997 432724465 /nfs/dbraw/zinc/72/44/65/432724465.db2.gz GBVGRWXZCQSEPZ-CYBMUJFWSA-N 1 0 302.447 3.038 20 70 DGIDRO CC1(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000159550545 432687157 /nfs/dbraw/zinc/68/71/57/432687157.db2.gz HUUKOPIWVBAPPQ-UHFFFAOYSA-N 1 0 319.424 3.032 20 70 DGIDRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000159579741 432688174 /nfs/dbraw/zinc/68/81/74/432688174.db2.gz YEQLLFFSLHMZOC-HNNXBMFYSA-N 1 0 319.836 3.200 20 70 DGIDRO Cc1nc2ccccn2c1CN1CC[N@@H+](C)CC12CCCCC2 ZINC000160897379 432748094 /nfs/dbraw/zinc/74/80/94/432748094.db2.gz KSEJGVNCULXTGR-UHFFFAOYSA-N 1 0 312.461 3.093 20 70 DGIDRO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000160920677 432749456 /nfs/dbraw/zinc/74/94/56/432749456.db2.gz XSAWFJUIOORKRG-INIZCTEOSA-N 1 0 301.496 3.244 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000160984473 432752668 /nfs/dbraw/zinc/75/26/68/432752668.db2.gz CHGPPPUAPLGDFY-FQEVSTJZSA-N 1 0 324.468 3.345 20 70 DGIDRO CCC[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161095983 432759326 /nfs/dbraw/zinc/75/93/26/432759326.db2.gz ORKGDRJFJHAJRC-OAHLLOKOSA-N 1 0 301.496 3.102 20 70 DGIDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1F ZINC000161129850 432760936 /nfs/dbraw/zinc/76/09/36/432760936.db2.gz JWXKLPZPUOFFDG-CQSZACIVSA-N 1 0 316.424 3.427 20 70 DGIDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cnccn1 ZINC000161131740 432761411 /nfs/dbraw/zinc/76/14/11/432761411.db2.gz SHGFOONBKNDATC-XIKOKIGWSA-N 1 0 311.385 3.050 20 70 DGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000161157579 432763478 /nfs/dbraw/zinc/76/34/78/432763478.db2.gz ZEQSGQPAGFFAPZ-KSSFIOAISA-N 1 0 303.450 3.170 20 70 DGIDRO C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000161156147 432764054 /nfs/dbraw/zinc/76/40/54/432764054.db2.gz YCHCAIFRAHTJIL-DGCLKSJQSA-N 1 0 303.324 3.142 20 70 DGIDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000161178436 432765265 /nfs/dbraw/zinc/76/52/65/432765265.db2.gz JUUQNLSGTQDXGQ-AWEZNQCLSA-N 1 0 316.424 3.427 20 70 DGIDRO COc1ccc(-c2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000161266979 432769674 /nfs/dbraw/zinc/76/96/74/432769674.db2.gz DMRLLZTTZIBQQS-SFHVURJKSA-N 1 0 324.424 3.121 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC000161286002 432771539 /nfs/dbraw/zinc/77/15/39/432771539.db2.gz CVRNYXMJUSWAGY-CABCVRRESA-N 1 0 306.475 3.152 20 70 DGIDRO CC(C)COc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161338924 432772739 /nfs/dbraw/zinc/77/27/39/432772739.db2.gz NTCWJQAGHDCADK-UHFFFAOYSA-N 1 0 319.445 3.497 20 70 DGIDRO Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CO1 ZINC000161469360 432781421 /nfs/dbraw/zinc/78/14/21/432781421.db2.gz HATMDTXUEARMAJ-HNAYVOBHSA-N 1 0 324.424 3.056 20 70 DGIDRO CCC(CC)CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000160547055 432727375 /nfs/dbraw/zinc/72/73/75/432727375.db2.gz QKMGHHUTAZZORL-UHFFFAOYSA-N 1 0 321.465 3.322 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc2ccccc21 ZINC000160535686 432727576 /nfs/dbraw/zinc/72/75/76/432727576.db2.gz ZYKUGYOXCUJTRR-OAHLLOKOSA-N 1 0 311.429 3.085 20 70 DGIDRO Cc1nc2ccccn2c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160548864 432727638 /nfs/dbraw/zinc/72/76/38/432727638.db2.gz BOFIETSRBAFDQF-QGZVFWFLSA-N 1 0 312.461 3.093 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC000160568998 432729493 /nfs/dbraw/zinc/72/94/93/432729493.db2.gz YBFDZAYRKDRTMV-CYBMUJFWSA-N 1 0 312.816 3.329 20 70 DGIDRO Cc1ccc(C(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000160691444 432735958 /nfs/dbraw/zinc/73/59/58/432735958.db2.gz UWOJYZZVYHKRRH-IBGZPJMESA-N 1 0 309.409 3.160 20 70 DGIDRO COc1cc([C@H](C)[NH2+]CCOCC(C)C)cc(OC)c1OC ZINC000160693333 432736054 /nfs/dbraw/zinc/73/60/54/432736054.db2.gz PNPYLVKPKBBOFH-ZDUSSCGKSA-N 1 0 311.422 3.036 20 70 DGIDRO C[C@@H]([NH2+]C1CCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000161476967 432781795 /nfs/dbraw/zinc/78/17/95/432781795.db2.gz GCQINBYRYCEVBO-QWHCGFSZSA-N 1 0 303.475 3.472 20 70 DGIDRO Cc1ccc(SCC[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000160797692 432742047 /nfs/dbraw/zinc/74/20/47/432742047.db2.gz UNQSSCLDAKGATD-UHFFFAOYSA-N 1 0 314.445 3.406 20 70 DGIDRO CC[NH+](CC)[C@@H](C(=O)N(C)Cc1cccn1C)c1ccccc1 ZINC000160832202 432744778 /nfs/dbraw/zinc/74/47/78/432744778.db2.gz PDMPFACUHXWWKM-GOSISDBHSA-N 1 0 313.445 3.067 20 70 DGIDRO CC[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccc(F)cc1F ZINC000160865209 432746131 /nfs/dbraw/zinc/74/61/31/432746131.db2.gz LCWVJMWKJSGMFM-MQBCKMQZSA-N 1 0 310.388 3.453 20 70 DGIDRO CCS[C@@H]1CCC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000159409044 292791832 /nfs/dbraw/zinc/79/18/32/292791832.db2.gz BKOUUHVODMLPRS-UONOGXRCSA-N 1 0 306.466 3.370 20 70 DGIDRO CC(C)OCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000159656297 292797502 /nfs/dbraw/zinc/79/75/02/292797502.db2.gz XMSYWOIISAYDAS-CABCVRRESA-N 1 0 314.470 3.037 20 70 DGIDRO C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CC=CCC2)CC1 ZINC000161123260 292828944 /nfs/dbraw/zinc/82/89/44/292828944.db2.gz PWFZXCSZDAZTDN-KRWDZBQOSA-N 1 0 307.482 3.106 20 70 DGIDRO Cc1cccc2ncnc(N3CCC[C@@H]3C[NH+]3CCCCC3)c12 ZINC000160443877 302072073 /nfs/dbraw/zinc/07/20/73/302072073.db2.gz CGXHMBUATUVWBW-MRXNPFEDSA-N 1 0 310.445 3.393 20 70 DGIDRO Cc1ccsc1CCCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159852267 534460652 /nfs/dbraw/zinc/46/06/52/534460652.db2.gz UGUUQNFMIXLSRJ-UHFFFAOYSA-N 1 0 308.491 3.368 20 70 DGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](CC)[C@@H]2CCOC2)c1 ZINC000161114884 522219824 /nfs/dbraw/zinc/21/98/24/522219824.db2.gz PZJKOBWQLVZFQW-ZTFGCOKTSA-N 1 0 318.461 3.120 20 70 DGIDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCOC1 ZINC000160547156 522648655 /nfs/dbraw/zinc/64/86/55/522648655.db2.gz SITBQMSSGUECAI-ROUUACIJSA-N 1 0 317.477 3.367 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000160316515 525698946 /nfs/dbraw/zinc/69/89/46/525698946.db2.gz KBLZFSRDIHVYRE-GWCFXTLKSA-N 1 0 307.381 3.470 20 70 DGIDRO CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 ZINC000159790652 528200567 /nfs/dbraw/zinc/20/05/67/528200567.db2.gz IRNBPEHQADZMLQ-LSDHHAIUSA-N 1 0 306.475 3.151 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)C(C)C)CC1 ZINC000159679484 529026544 /nfs/dbraw/zinc/02/65/44/529026544.db2.gz YGZASCHNBNCQOE-SFHVURJKSA-N 1 0 317.477 3.163 20 70 DGIDRO CC[C@@H](Sc1ccccc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159582032 529254270 /nfs/dbraw/zinc/25/42/70/529254270.db2.gz UBBBDNIJBDKUGH-OAHLLOKOSA-N 1 0 306.475 3.335 20 70 DGIDRO C[C@H]1SCCN(C(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccccc1 ZINC000159680668 546055372 /nfs/dbraw/zinc/05/53/72/546055372.db2.gz YPYAXSIWTFCXMK-WBMJQRKESA-N 1 0 316.426 3.057 20 70 DGIDRO C[NH+](C)Cc1ccc(C(=O)NCCc2cc3ccccc3[nH]2)cc1 ZINC000159602199 546055527 /nfs/dbraw/zinc/05/55/27/546055527.db2.gz VYYMLHPKXNSSAY-UHFFFAOYSA-N 1 0 321.424 3.202 20 70 DGIDRO CCn1nccc1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000159996633 546057222 /nfs/dbraw/zinc/05/72/22/546057222.db2.gz CKSHDQPQSZVFNT-UHFFFAOYSA-N 1 0 301.287 3.351 20 70 DGIDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)oc1C ZINC000159988782 546057561 /nfs/dbraw/zinc/05/75/61/546057561.db2.gz GYAYOIPVRWDIAX-UHFFFAOYSA-N 1 0 314.429 3.409 20 70 DGIDRO CC1(C)CC[C@@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000160188884 546059424 /nfs/dbraw/zinc/05/94/24/546059424.db2.gz HFLIPCVJTQPIEQ-OCCSQVGLSA-N 1 0 311.422 3.213 20 70 DGIDRO CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161003917 546064921 /nfs/dbraw/zinc/06/49/21/546064921.db2.gz RXIKIHQCPJOYDT-VXGBXAGGSA-N 1 0 312.866 3.452 20 70 DGIDRO C[C@@H](CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccncc1 ZINC000161134127 546065730 /nfs/dbraw/zinc/06/57/30/546065730.db2.gz SYUPXKMRRZEGBN-ZDUSSCGKSA-N 1 0 303.450 3.001 20 70 DGIDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000161200940 546066085 /nfs/dbraw/zinc/06/60/85/546066085.db2.gz MJRSQOGVEZPLTN-GWCFXTLKSA-N 1 0 306.406 3.382 20 70 DGIDRO C[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)[C@@H]1C[NH3+] ZINC000161207181 546066255 /nfs/dbraw/zinc/06/62/55/546066255.db2.gz PWWJCFNBQSJGIE-ZWNOBZJWSA-N 1 0 306.406 3.240 20 70 DGIDRO Cc1csc(-c2cccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000161410574 546069266 /nfs/dbraw/zinc/06/92/66/546069266.db2.gz YJVXPFGEOUOUNK-CABCVRRESA-N 1 0 315.442 3.118 20 70 DGIDRO Cc1ccccc1C[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000218191025 627104427 /nfs/dbraw/zinc/10/44/27/627104427.db2.gz GVWFZJVUTFPZEO-UHFFFAOYSA-N 1 0 304.434 3.484 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)c(F)c(C)c1)CC2 ZINC000160569765 282117481 /nfs/dbraw/zinc/11/74/81/282117481.db2.gz ONMQXWIIYUHQSE-WFASDCNBSA-N 1 0 302.397 3.008 20 70 DGIDRO CCC(CC)c1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)on1 ZINC000160361962 282285847 /nfs/dbraw/zinc/28/58/47/282285847.db2.gz NNMAYVVAIQCQGM-CYBMUJFWSA-N 1 0 307.438 3.182 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000159530521 186125693 /nfs/dbraw/zinc/12/56/93/186125693.db2.gz SBGAJASWSSJDDW-ZDUSSCGKSA-N 1 0 309.841 3.138 20 70 DGIDRO CS[C@H]1CCC[C@@H](NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000159572959 186127516 /nfs/dbraw/zinc/12/75/16/186127516.db2.gz TVPHYJMYTSMDGJ-OJLVUWQFSA-N 1 0 306.475 3.113 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1C ZINC000159661560 186133768 /nfs/dbraw/zinc/13/37/68/186133768.db2.gz OXXFJEDNCMEUEW-HNNXBMFYSA-N 1 0 300.402 3.367 20 70 DGIDRO CCCCN(CC)c1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161198430 197473335 /nfs/dbraw/zinc/47/33/35/197473335.db2.gz GLBKBWIEGDDXFN-GOSISDBHSA-N 1 0 317.477 3.137 20 70 DGIDRO C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCOC1 ZINC000161156257 197470418 /nfs/dbraw/zinc/47/04/18/197470418.db2.gz YCHCAIFRAHTJIL-AAEUAGOBSA-N 1 0 303.324 3.142 20 70 DGIDRO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161110366 197465898 /nfs/dbraw/zinc/46/58/98/197465898.db2.gz CKMVWEXEFRIQQR-ZNMIVQPWSA-N 1 0 306.450 3.227 20 70 DGIDRO CC[C@H](CC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(C)cc1 ZINC000160276727 197397444 /nfs/dbraw/zinc/39/74/44/197397444.db2.gz BBOIRNHRGCAFMA-IAGOWNOFSA-N 1 0 302.462 3.289 20 70 DGIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000160197969 197392396 /nfs/dbraw/zinc/39/23/96/197392396.db2.gz PONLFQLMQLFOGQ-CQSZACIVSA-N 1 0 314.433 3.065 20 70 DGIDRO Cc1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)s1 ZINC000160173598 197390572 /nfs/dbraw/zinc/39/05/72/197390572.db2.gz YRCYSMAPFDNZDT-UHFFFAOYSA-N 1 0 323.506 3.320 20 70 DGIDRO CCCCCc1ccc(C(=O)CCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160064952 197383490 /nfs/dbraw/zinc/38/34/90/197383490.db2.gz DJOTTXHVAUZPMC-UHFFFAOYSA-N 1 0 318.461 3.236 20 70 DGIDRO CCn1cc([C@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)cn1 ZINC000159865450 197370380 /nfs/dbraw/zinc/37/03/80/197370380.db2.gz KZWSBMPEOPJHQY-KBPBESRZSA-N 1 0 318.490 3.062 20 70 DGIDRO [NH3+]C1(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)CCCCC1 ZINC000159813205 197366735 /nfs/dbraw/zinc/36/67/35/197366735.db2.gz SAVBCYPTRNCVOM-CQSZACIVSA-N 1 0 306.837 3.318 20 70 DGIDRO O=C(c1csc2c1CCCC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159793689 197364743 /nfs/dbraw/zinc/36/47/43/197364743.db2.gz XWKLIGKAHFXWTD-UHFFFAOYSA-N 1 0 318.486 3.231 20 70 DGIDRO CS[C@H](C)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159469931 197355791 /nfs/dbraw/zinc/35/57/91/197355791.db2.gz UVWFISMWUDZTLB-OAHLLOKOSA-N 1 0 320.502 3.156 20 70 DGIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000159415199 284957895 /nfs/dbraw/zinc/95/78/95/284957895.db2.gz SUPZCWSMQZKQTI-HNNXBMFYSA-N 1 0 302.418 3.175 20 70 DGIDRO CC[C@H](CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C)cc1 ZINC000159490396 400729712 /nfs/dbraw/zinc/72/97/12/400729712.db2.gz YGJYLGOMRZKIPQ-IEBWSBKVSA-N 1 0 314.473 3.479 20 70 DGIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2sccc2C1 ZINC000159709884 400731371 /nfs/dbraw/zinc/73/13/71/400731371.db2.gz HZRHEOZSBHPRBP-HOCLYGCPSA-N 1 0 318.486 3.287 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000160107906 400732452 /nfs/dbraw/zinc/73/24/52/400732452.db2.gz IZPIJAJLYAYNHP-HZPDHXFCSA-N 1 0 311.491 3.164 20 70 DGIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC(C)(C)c1cccs1 ZINC000159996231 400732667 /nfs/dbraw/zinc/73/26/67/400732667.db2.gz IHQXSINREQMJIZ-AWEZNQCLSA-N 1 0 323.506 3.007 20 70 DGIDRO Cc1cccc([C@H]2CCC[N@@H+]2CC[S@@](=O)c2ccccc2)n1 ZINC000160383601 400733478 /nfs/dbraw/zinc/73/34/78/400733478.db2.gz UZHWDEQVGGTWHP-GCJKJVERSA-N 1 0 314.454 3.335 20 70 DGIDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCN1CCOCC1 ZINC000217137999 165375452 /nfs/dbraw/zinc/37/54/52/165375452.db2.gz AVUBHXRTYHYJMD-GFCCVEGCSA-N 1 0 317.260 3.318 20 70 DGIDRO COc1ccc2ccccc2c1C[NH2+]C[C@](C)(O)CSC ZINC000217860118 165378222 /nfs/dbraw/zinc/37/82/22/165378222.db2.gz VAXZFZJQAHWCCG-KRWDZBQOSA-N 1 0 305.443 3.052 20 70 DGIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2cccs2)CCCCC1 ZINC000160201770 228245639 /nfs/dbraw/zinc/24/56/39/228245639.db2.gz ZJFLBCUCZUQBAH-GASCZTMLSA-N 1 0 318.486 3.303 20 70 DGIDRO C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000160432952 228246080 /nfs/dbraw/zinc/24/60/80/228246080.db2.gz LXXBMPZJZQQUNL-ZOCIIQOWSA-N 1 0 308.425 3.296 20 70 DGIDRO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000161039062 228250227 /nfs/dbraw/zinc/25/02/27/228250227.db2.gz RERDGWONEYQULA-DNVCBOLYSA-N 1 0 308.425 3.483 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1oc2c(c1C)c(C)ccc2C ZINC000161376857 277278574 /nfs/dbraw/zinc/27/85/74/277278574.db2.gz OHHOKTHRCHTFKR-AWEZNQCLSA-N 1 0 300.402 3.182 20 70 DGIDRO COc1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)CCCO2 ZINC000161014450 277992352 /nfs/dbraw/zinc/99/23/52/277992352.db2.gz BPWFHSPWWVGRBF-HDMKZQKVSA-N 1 0 318.461 3.371 20 70 DGIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159547696 278382353 /nfs/dbraw/zinc/38/23/53/278382353.db2.gz FPKQSBWKIYSDJS-YPMHNXCESA-N 1 0 304.459 3.463 20 70 DGIDRO Cc1c([C@H](C)[NH2+]CC(C)(C)O)cnn1-c1cccc(Cl)c1 ZINC000160588536 280254473 /nfs/dbraw/zinc/25/44/73/280254473.db2.gz IUJZOBZDOJLIIO-NSHDSACASA-N 1 0 307.825 3.256 20 70 DGIDRO COc1ccc2cc(C[NH2+]C[C@@](C)(O)CSC)ccc2c1 ZINC000217843739 432656284 /nfs/dbraw/zinc/65/62/84/432656284.db2.gz YMJZUFPMDZOARQ-QGZVFWFLSA-N 1 0 305.443 3.052 20 70 DGIDRO C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218250646 432658483 /nfs/dbraw/zinc/65/84/83/432658483.db2.gz PAXHXHWUIKPUFO-RYUDHWBXSA-N 1 0 311.451 3.193 20 70 DGIDRO C[N@H+](CCOc1ccc(Cl)cc1)C[C@H](O)Cc1ccccc1 ZINC000218689569 432660255 /nfs/dbraw/zinc/66/02/55/432660255.db2.gz YGQOKRFWBAXQIV-QGZVFWFLSA-N 1 0 319.832 3.254 20 70 DGIDRO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000159713128 432694183 /nfs/dbraw/zinc/69/41/83/432694183.db2.gz XLIATXJAROBNBD-APAFKAMOSA-N 1 0 312.457 3.360 20 70 DGIDRO C[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000159702208 432694197 /nfs/dbraw/zinc/69/41/97/432694197.db2.gz AKFOBTKKPOMWGT-KFWWJZLASA-N 1 0 313.445 3.088 20 70 DGIDRO COCCOc1cccc(C[N@H+](C)Cc2ccc(OC)cc2)c1 ZINC000159852138 432698581 /nfs/dbraw/zinc/69/85/81/432698581.db2.gz RHMIBKGXXHXQMG-UHFFFAOYSA-N 1 0 315.413 3.352 20 70 DGIDRO C[C@H](C[NH2+][C@@H](C)c1cncc(F)c1)N1CCc2sccc2C1 ZINC000159871791 432700155 /nfs/dbraw/zinc/70/01/55/432700155.db2.gz PAQWXWRKKUFIIX-OLZOCXBDSA-N 1 0 319.449 3.380 20 70 DGIDRO CC[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCOC1 ZINC000159853718 432700208 /nfs/dbraw/zinc/70/02/08/432700208.db2.gz NMVXWXSXCYJKQB-APWZRJJASA-N 1 0 313.445 3.394 20 70 DGIDRO Cc1ncsc1C(=O)NC1CC[NH+](CCC2CCCC2)CC1 ZINC000159894435 432701343 /nfs/dbraw/zinc/70/13/43/432701343.db2.gz SPGYIWVHWIUHCF-UHFFFAOYSA-N 1 0 321.490 3.226 20 70 DGIDRO COc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000159907805 432701686 /nfs/dbraw/zinc/70/16/86/432701686.db2.gz ZEPHSEDWYFNJFR-UHFFFAOYSA-N 1 0 319.449 3.246 20 70 DGIDRO CC[C@H](C(=O)Nc1cccc(OCc2cscn2)c1)[NH+](C)C ZINC000159995861 432702851 /nfs/dbraw/zinc/70/28/51/432702851.db2.gz RDBCFADRXGEJQU-OAHLLOKOSA-N 1 0 319.430 3.001 20 70 DGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2)n1 ZINC000159986939 432703182 /nfs/dbraw/zinc/70/31/82/432703182.db2.gz HZWFBHHQNJCUFQ-ROUUACIJSA-N 1 0 300.377 3.400 20 70 DGIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000159995014 432703790 /nfs/dbraw/zinc/70/37/90/432703790.db2.gz UWYKCFMBIAEJDD-LLVKDONJSA-N 1 0 300.805 3.292 20 70 DGIDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(C)cn1 ZINC000160119752 432709125 /nfs/dbraw/zinc/70/91/25/432709125.db2.gz ZMOYMXVIPHNLRI-UHFFFAOYSA-N 1 0 318.392 3.057 20 70 DGIDRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000160333438 432715103 /nfs/dbraw/zinc/71/51/03/432715103.db2.gz LCOSCPAPPXHCKW-ZDUSSCGKSA-N 1 0 310.869 3.223 20 70 DGIDRO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160379470 432718196 /nfs/dbraw/zinc/71/81/96/432718196.db2.gz AWOXEMVXNFCFGH-QAPCUYQASA-N 1 0 324.424 3.071 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)COc1cc(Cl)ccc1Cl ZINC000160411806 432718796 /nfs/dbraw/zinc/71/87/96/432718796.db2.gz AAPMYJIRIJXUHF-UHFFFAOYSA-N 1 0 319.232 3.006 20 70 DGIDRO Cc1nc(CCCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cs1 ZINC000160431770 432720502 /nfs/dbraw/zinc/72/05/02/432720502.db2.gz KNCCFTUJCJXCPE-MRXNPFEDSA-N 1 0 323.506 3.011 20 70 DGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC000160437775 432720779 /nfs/dbraw/zinc/72/07/79/432720779.db2.gz QIBDIOCKTXRPHZ-UHFFFAOYSA-N 1 0 315.413 3.352 20 70 DGIDRO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160440514 432721655 /nfs/dbraw/zinc/72/16/55/432721655.db2.gz MIYKOBDNLKDRMY-NRFANRHFSA-N 1 0 322.452 3.296 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC(C)C)c1cccs1)CC2 ZINC000160476308 432723338 /nfs/dbraw/zinc/72/33/38/432723338.db2.gz VTZUYNVTSNQUIF-KBPBESRZSA-N 1 0 304.463 3.340 20 70 DGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000160515259 432724534 /nfs/dbraw/zinc/72/45/34/432724534.db2.gz KERJNWJKWQBRNB-KGLIPLIRSA-N 1 0 308.491 3.389 20 70 DGIDRO C[C@H]1C[C@@H](NCc2ccc(N3CCCCCC3)nc2)CC[N@@H+]1C ZINC000160519632 432724975 /nfs/dbraw/zinc/72/49/75/432724975.db2.gz NGRDUHNHEUSORH-WMZOPIPTSA-N 1 0 316.493 3.034 20 70 DGIDRO CCN(CC[NH2+][C@@H](C)c1cnn(C(C)C)c1)C(=O)OC(C)(C)C ZINC000159502003 432684990 /nfs/dbraw/zinc/68/49/90/432684990.db2.gz DUFDGEWOBGBPFH-AWEZNQCLSA-N 1 0 324.469 3.372 20 70 DGIDRO C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@H]1CCC[C@@H]1O ZINC000159483641 432685546 /nfs/dbraw/zinc/68/55/46/432685546.db2.gz ZYZMIPKHSRWBAF-RISCZKNCSA-N 1 0 316.214 3.181 20 70 DGIDRO CC(C)[C@H](CNC(=O)[C@H](C)[NH3+])Cc1ccc(Cl)cc1Cl ZINC000159532815 432686041 /nfs/dbraw/zinc/68/60/41/432686041.db2.gz DHEXJXLWDXELNT-JQWIXIFHSA-N 1 0 317.260 3.272 20 70 DGIDRO CCc1cccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000159560731 432686081 /nfs/dbraw/zinc/68/60/81/432686081.db2.gz FPZSCDJNKCYSDV-MOPGFXCFSA-N 1 0 314.473 3.265 20 70 DGIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)CCCC2 ZINC000159564664 432686668 /nfs/dbraw/zinc/68/66/68/432686668.db2.gz ATXFAFWBVBLYDK-HNNXBMFYSA-N 1 0 300.446 3.229 20 70 DGIDRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC[C@@H]1O ZINC000159584976 432687891 /nfs/dbraw/zinc/68/78/91/432687891.db2.gz RZCFFMZAWQLDLB-YGRLFVJLSA-N 1 0 316.214 3.181 20 70 DGIDRO CCCC[N@H+](CCOC)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159598744 432688285 /nfs/dbraw/zinc/68/82/85/432688285.db2.gz LDFIWJMDBQQSLD-UHFFFAOYSA-N 1 0 312.498 3.020 20 70 DGIDRO C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC[C@@H]1O ZINC000159584862 432688494 /nfs/dbraw/zinc/68/84/94/432688494.db2.gz RZCFFMZAWQLDLB-HZMBPMFUSA-N 1 0 316.214 3.181 20 70 DGIDRO CN(Cc1csc(Nc2ccccc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159652110 432690800 /nfs/dbraw/zinc/69/08/00/432690800.db2.gz FWXAMLUTGSCANI-CJNGLKHVSA-N 1 0 317.458 3.480 20 70 DGIDRO COc1cccc(C[N@H+](CCOCC2CC2)C[C@@H]2CCCO2)c1 ZINC000159654431 432691788 /nfs/dbraw/zinc/69/17/88/432691788.db2.gz RLCAWWLFXPGQNH-IBGZPJMESA-N 1 0 319.445 3.103 20 70 DGIDRO Cc1ccsc1[C@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160941065 432750805 /nfs/dbraw/zinc/75/08/05/432750805.db2.gz QUHZTXMEKWJRHD-ZDUSSCGKSA-N 1 0 323.483 3.452 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160982506 432752635 /nfs/dbraw/zinc/75/26/35/432752635.db2.gz OWGHDCOEUASCEG-HZPDHXFCSA-N 1 0 318.486 3.247 20 70 DGIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2sccc2C)cc1 ZINC000160981148 432752800 /nfs/dbraw/zinc/75/28/00/432752800.db2.gz YBPPSRLLLIQJHQ-CYBMUJFWSA-N 1 0 318.442 3.032 20 70 DGIDRO C[C@]1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC000161072776 432757445 /nfs/dbraw/zinc/75/74/45/432757445.db2.gz GDESDZWMJZLNJD-CTNGQTDRSA-N 1 0 322.452 3.129 20 70 DGIDRO COc1ccc(COCCC[NH2+][C@H](C)c2cncc(F)c2)cc1 ZINC000161093485 432759771 /nfs/dbraw/zinc/75/97/71/432759771.db2.gz NJZYPEUEEZDLPC-CQSZACIVSA-N 1 0 318.392 3.487 20 70 DGIDRO O=C(Nc1ccc(COCc2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000161090661 432760349 /nfs/dbraw/zinc/76/03/49/432760349.db2.gz NJIJGYYORKXDHD-SFHVURJKSA-N 1 0 324.424 3.342 20 70 DGIDRO CC(C)n1cc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cn1 ZINC000161147168 432763544 /nfs/dbraw/zinc/76/35/44/432763544.db2.gz JGZFDMJQPSUHEB-CYBMUJFWSA-N 1 0 301.390 3.086 20 70 DGIDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(C(C)C)nc2)CC1 ZINC000161192353 432764601 /nfs/dbraw/zinc/76/46/01/432764601.db2.gz IDUQSORGMPYYIA-UHFFFAOYSA-N 1 0 303.450 3.055 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1sc(-c2cccs2)nc1C ZINC000161186664 432765737 /nfs/dbraw/zinc/76/57/37/432765737.db2.gz DQDAFWHNTKVVDX-LLVKDONJSA-N 1 0 321.471 3.004 20 70 DGIDRO CCC(C)(C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161183586 432765794 /nfs/dbraw/zinc/76/57/94/432765794.db2.gz CFQCZJDCIUHKJI-AWEZNQCLSA-N 1 0 318.465 3.095 20 70 DGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000161202347 432766394 /nfs/dbraw/zinc/76/63/94/432766394.db2.gz BUJJGQYTBDASHA-GJZGRUSLSA-N 1 0 306.450 3.229 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000161210010 432766837 /nfs/dbraw/zinc/76/68/37/432766837.db2.gz WERYGPOOZHXBSM-CYBMUJFWSA-N 1 0 304.365 3.198 20 70 DGIDRO C[NH+](C)Cc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)cc1 ZINC000161219212 432767008 /nfs/dbraw/zinc/76/70/08/432767008.db2.gz VWFWKZSRFVNAHM-UHFFFAOYSA-N 1 0 312.417 3.088 20 70 DGIDRO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161247992 432767634 /nfs/dbraw/zinc/76/76/34/432767634.db2.gz JTNLASZEBUXFFH-MSOLQXFVSA-N 1 0 302.462 3.307 20 70 DGIDRO Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161236099 432767880 /nfs/dbraw/zinc/76/78/80/432767880.db2.gz UUUWGMQTDBXNOF-KBAYOESNSA-N 1 0 300.446 3.294 20 70 DGIDRO CC(=O)NC1CCC([NH2+]C[C@@H](Nc2ccccc2)C(C)C)CC1 ZINC000161253308 432768117 /nfs/dbraw/zinc/76/81/17/432768117.db2.gz WKMHBWLCVAGENQ-NKELODKYSA-N 1 0 317.477 3.160 20 70 DGIDRO CN(CCC[NH+]1CCCCC1)Cc1cnn(-c2ccccc2)c1 ZINC000161235447 432768172 /nfs/dbraw/zinc/76/81/72/432768172.db2.gz IQJQFFCNGWKDIK-UHFFFAOYSA-N 1 0 312.461 3.180 20 70 DGIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 ZINC000161274627 432770467 /nfs/dbraw/zinc/77/04/67/432770467.db2.gz XITCQIFEUDCUBE-ZDUSSCGKSA-N 1 0 309.413 3.471 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)on1 ZINC000161293211 432771831 /nfs/dbraw/zinc/77/18/31/432771831.db2.gz WOQVVEOXSUTUMH-KGLIPLIRSA-N 1 0 309.454 3.428 20 70 DGIDRO CCCn1ccc2ccc(NC(=O)[C@@H]([NH3+])CCSC)cc21 ZINC000161282595 432772249 /nfs/dbraw/zinc/77/22/49/432772249.db2.gz WNIXMRQMTADJKO-AWEZNQCLSA-N 1 0 305.447 3.070 20 70 DGIDRO Fc1ccc([C@H]2CN(CCC[NH+]3CCCCC3)CCO2)cc1F ZINC000161320245 432772665 /nfs/dbraw/zinc/77/26/65/432772665.db2.gz JHAHXJYVISGUKQ-GOSISDBHSA-N 1 0 324.415 3.214 20 70 DGIDRO CCNC(=O)C(C)(C)CNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000161347284 432774196 /nfs/dbraw/zinc/77/41/96/432774196.db2.gz XRTNTAJXWFSBGB-UHFFFAOYSA-N 1 0 303.381 3.257 20 70 DGIDRO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161398924 432775716 /nfs/dbraw/zinc/77/57/16/432775716.db2.gz CUFXQVWOWXJFGP-MDGVGCGJSA-N 1 0 308.429 3.117 20 70 DGIDRO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000161426155 432777661 /nfs/dbraw/zinc/77/76/61/432777661.db2.gz OKISFLGWYORYNR-GDBMZVCRSA-N 1 0 315.413 3.131 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC000161466660 432780937 /nfs/dbraw/zinc/78/09/37/432780937.db2.gz CZJPGUFLBHHHSB-UHFFFAOYSA-N 1 0 308.853 3.310 20 70 DGIDRO C[C@H]([NH2+]C1CCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000161477159 432781282 /nfs/dbraw/zinc/78/12/82/432781282.db2.gz GCQINBYRYCEVBO-STQMWFEESA-N 1 0 303.475 3.472 20 70 DGIDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCOC1 ZINC000160546892 432727646 /nfs/dbraw/zinc/72/76/46/432727646.db2.gz SITBQMSSGUECAI-MSOLQXFVSA-N 1 0 317.477 3.367 20 70 DGIDRO CCOCCC1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCC1 ZINC000160579365 432728206 /nfs/dbraw/zinc/72/82/06/432728206.db2.gz NELQEIJSTMAMHT-CQSZACIVSA-N 1 0 324.490 3.064 20 70 DGIDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2c(C)nc3ccccn32)C1(C)C ZINC000160570283 432729339 /nfs/dbraw/zinc/72/93/39/432729339.db2.gz LTWWPPFESDDMBT-JKSUJKDBSA-N 1 0 301.434 3.278 20 70 DGIDRO CC[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCOC1 ZINC000160623547 432732201 /nfs/dbraw/zinc/73/22/01/432732201.db2.gz ZDEGHBKRLSPQCG-ZIAGYGMSSA-N 1 0 308.491 3.359 20 70 DGIDRO CCCC1(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000160772745 432740665 /nfs/dbraw/zinc/74/06/65/432740665.db2.gz KTMRULLTFSMJGR-MRXNPFEDSA-N 1 0 304.409 3.315 20 70 DGIDRO CCCC[N@H+](CC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160787500 432741430 /nfs/dbraw/zinc/74/14/30/432741430.db2.gz XUOUNKXYMZJEQJ-MRXNPFEDSA-N 1 0 301.496 3.246 20 70 DGIDRO CC[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000160805870 432742271 /nfs/dbraw/zinc/74/22/71/432742271.db2.gz UULHNIORPSKHBH-BBRMVZONSA-N 1 0 324.852 3.463 20 70 DGIDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@H](C)c2cnn(C)c2)ccn1 ZINC000160815657 432744205 /nfs/dbraw/zinc/74/42/05/432744205.db2.gz UNMDGUNNYQVWEU-HUUCEWRRSA-N 1 0 316.449 3.479 20 70 DGIDRO CC[C@@H](C)OCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000160859927 432746652 /nfs/dbraw/zinc/74/66/52/432746652.db2.gz FCMHBEZSXUIQFQ-OAHLLOKOSA-N 1 0 304.434 3.079 20 70 DGIDRO CCC[C@H](NC[C@@H](O)C[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000159431062 292792497 /nfs/dbraw/zinc/79/24/97/292792497.db2.gz ZIGMKHMSHVVIHZ-DOMZBBRYSA-N 1 0 319.276 3.347 20 70 DGIDRO CCCCn1ncc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1C ZINC000159763791 292800253 /nfs/dbraw/zinc/80/02/53/292800253.db2.gz DRCAARHHIBJKJC-AWEZNQCLSA-N 1 0 323.485 3.089 20 70 DGIDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160073716 292806865 /nfs/dbraw/zinc/80/68/65/292806865.db2.gz DWBJGTCGDBXDDF-GOSISDBHSA-N 1 0 314.429 3.216 20 70 DGIDRO CC(C)c1ccc(CC2CC[NH+](CC3(CO)COC3)CC2)cc1 ZINC000159952642 292804344 /nfs/dbraw/zinc/80/43/44/292804344.db2.gz BHOORUMTSGKZKU-UHFFFAOYSA-N 1 0 317.473 3.073 20 70 DGIDRO CCc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)o1 ZINC000160136724 292808203 /nfs/dbraw/zinc/80/82/03/292808203.db2.gz NNEPKWHJVFUFFH-UHFFFAOYSA-N 1 0 315.417 3.322 20 70 DGIDRO CC[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000160497191 292815674 /nfs/dbraw/zinc/81/56/74/292815674.db2.gz FSZHRTBLANETFI-SWLSCSKDSA-N 1 0 317.351 3.489 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)[C@H](C)Cc1ccccc1Cl ZINC000161182589 292830915 /nfs/dbraw/zinc/83/09/15/292830915.db2.gz HUDMFPXVTLWAJJ-CQSZACIVSA-N 1 0 310.869 3.317 20 70 DGIDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](CCCO)c1ccccc1 ZINC000160795121 293115791 /nfs/dbraw/zinc/11/57/91/293115791.db2.gz KYMDMOVUNYHWBF-VQTJNVASSA-N 1 0 313.441 3.348 20 70 DGIDRO Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1F ZINC000217143924 337245096 /nfs/dbraw/zinc/24/50/96/337245096.db2.gz KTWNGFWXJRGUTL-HACGYAERSA-N 1 0 306.425 3.165 20 70 DGIDRO Cc1ccsc1CCCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000161431083 534461360 /nfs/dbraw/zinc/46/13/60/534461360.db2.gz YBHRDGKHLWRPJB-HNNXBMFYSA-N 1 0 308.491 3.370 20 70 DGIDRO [NH3+]C1(CNC(=O)CCSc2ccc(F)cc2)CCCCC1 ZINC000159688192 534535222 /nfs/dbraw/zinc/53/52/22/534535222.db2.gz VNQZWDPYCYPNGX-UHFFFAOYSA-N 1 0 310.438 3.086 20 70 DGIDRO COC[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C)C1CC1 ZINC000161049480 522762338 /nfs/dbraw/zinc/76/23/38/522762338.db2.gz MXBWEYDPEYFGEZ-MAUKXSAKSA-N 1 0 305.418 3.170 20 70 DGIDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)C1CC1 ZINC000161044747 522807807 /nfs/dbraw/zinc/80/78/07/522807807.db2.gz PPIJEJGKOVQSJH-GOSISDBHSA-N 1 0 300.446 3.378 20 70 DGIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160363882 524331991 /nfs/dbraw/zinc/33/19/91/524331991.db2.gz RMXNDJZVROKPAK-YUELXQCFSA-N 1 0 322.399 3.059 20 70 DGIDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160404789 524882767 /nfs/dbraw/zinc/88/27/67/524882767.db2.gz GUZNGGPLWMRTAS-IRXDYDNUSA-N 1 0 321.509 3.330 20 70 DGIDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cnc2ccccn12 ZINC000160354024 525008679 /nfs/dbraw/zinc/00/86/79/525008679.db2.gz XNUQRTHCUIJVEK-QGZVFWFLSA-N 1 0 320.440 3.041 20 70 DGIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160404660 525380048 /nfs/dbraw/zinc/38/00/48/525380048.db2.gz GUZNGGPLWMRTAS-CALCHBBNSA-N 1 0 321.509 3.330 20 70 DGIDRO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159704264 546056071 /nfs/dbraw/zinc/05/60/71/546056071.db2.gz JYHNKVZXWUEMTB-HOTGVXAUSA-N 1 0 311.433 3.044 20 70 DGIDRO C[C@@H](CC(=O)NCC[NH2+]C1CCCCCC1)c1ccncc1 ZINC000159713089 546056619 /nfs/dbraw/zinc/05/66/19/546056619.db2.gz QCLMQYDTIUPJFU-HNNXBMFYSA-N 1 0 303.450 3.004 20 70 DGIDRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCCC[C@@H]2CO)c(C)c1 ZINC000159962978 546057461 /nfs/dbraw/zinc/05/74/61/546057461.db2.gz RHNTWGHFLBVRDQ-QGZVFWFLSA-N 1 0 318.461 3.177 20 70 DGIDRO O=C1[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)CCN1C1CCCCC1 ZINC000160142090 546058204 /nfs/dbraw/zinc/05/82/04/546058204.db2.gz JHVKZCKFYQANPB-ROUUACIJSA-N 1 0 316.420 3.336 20 70 DGIDRO CC1(C[NH2+]Cc2ccc(Br)c3cccnc23)COC1 ZINC000160335848 546060039 /nfs/dbraw/zinc/06/00/39/546060039.db2.gz BQGTTZDTEHWZKC-UHFFFAOYSA-N 1 0 321.218 3.123 20 70 DGIDRO CC(C)(CO)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160336949 546060188 /nfs/dbraw/zinc/06/01/88/546060188.db2.gz YJVLWUBAQLUWGP-UHFFFAOYSA-N 1 0 323.234 3.105 20 70 DGIDRO C[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccncc1 ZINC000160737460 546061974 /nfs/dbraw/zinc/06/19/74/546061974.db2.gz GQSQZIMWMCJFKB-WMZOPIPTSA-N 1 0 315.461 3.052 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000160832924 546062755 /nfs/dbraw/zinc/06/27/55/546062755.db2.gz OMMQARHUBMYSBX-HUUCEWRRSA-N 1 0 318.486 3.478 20 70 DGIDRO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160822882 546062867 /nfs/dbraw/zinc/06/28/67/546062867.db2.gz SZMHHECHLYAMPA-IYOUNJFTSA-N 1 0 318.461 3.230 20 70 DGIDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)oc2c1c(C)ccc2C ZINC000160861119 546062891 /nfs/dbraw/zinc/06/28/91/546062891.db2.gz CPSSSTABLLGCPV-KBPBESRZSA-N 1 0 300.402 3.358 20 70 DGIDRO CC(C)CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160960207 546063268 /nfs/dbraw/zinc/06/32/68/546063268.db2.gz CDLTYQHUJYJSAD-JKSUJKDBSA-N 1 0 304.434 3.111 20 70 DGIDRO COc1cccc(-c2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)c1 ZINC000161081191 546064888 /nfs/dbraw/zinc/06/48/88/546064888.db2.gz NOCIBYHDAFTYHQ-UHFFFAOYSA-N 1 0 324.424 3.250 20 70 DGIDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161206595 546066279 /nfs/dbraw/zinc/06/62/79/546066279.db2.gz OHDNTKXBYAOMAQ-NSHDSACASA-N 1 0 306.406 3.241 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2ccccc2-c2ccccc2)C1 ZINC000161168630 546066367 /nfs/dbraw/zinc/06/63/67/546066367.db2.gz INICZESVNJDFFK-IAGOWNOFSA-N 1 0 324.424 3.119 20 70 DGIDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)sc2cccc(F)c12 ZINC000161344195 546068476 /nfs/dbraw/zinc/06/84/76/546068476.db2.gz SJLBBLWMXPIWLS-MNOVXSKESA-N 1 0 306.406 3.349 20 70 DGIDRO CC(C)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000161432837 546069201 /nfs/dbraw/zinc/06/92/01/546069201.db2.gz UQZMFKHCMPTHSE-UONOGXRCSA-N 1 0 311.429 3.358 20 70 DGIDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000216641381 575273483 /nfs/dbraw/zinc/27/34/83/575273483.db2.gz MMFGQDFWGQXFLQ-YOEHRIQHSA-N 1 0 310.869 3.347 20 70 DGIDRO Cc1nc(Cl)ccc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000159662021 186133316 /nfs/dbraw/zinc/13/33/16/186133316.db2.gz RWKUUFMGIBVLBO-UHFFFAOYSA-N 1 0 311.857 3.282 20 70 DGIDRO Cn1cc(CC[NH2+]C(Cc2ccccc2)Cc2ccccc2)cn1 ZINC000159754794 186139694 /nfs/dbraw/zinc/13/96/94/186139694.db2.gz RFUIPPAJQXHRFI-UHFFFAOYSA-N 1 0 319.452 3.406 20 70 DGIDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(C)(C)O)cc1 ZINC000160622910 292818563 /nfs/dbraw/zinc/81/85/63/292818563.db2.gz YLULXZJCHVQNOM-GOSISDBHSA-N 1 0 317.404 3.479 20 70 DGIDRO C[C@H](CNC(=O)CCCCCC[NH3+])Oc1cccc(Cl)c1 ZINC000161397014 197491982 /nfs/dbraw/zinc/49/19/82/197491982.db2.gz GROOJXVRQKBUPP-CYBMUJFWSA-N 1 0 312.841 3.133 20 70 DGIDRO CC[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1cnn(C)c1 ZINC000161295384 197483106 /nfs/dbraw/zinc/48/31/06/197483106.db2.gz JWNWBCBYZHXEOD-MAUKXSAKSA-N 1 0 301.434 3.314 20 70 DGIDRO O=C(N[C@@H](Cc1ccccc1)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000161065906 197462021 /nfs/dbraw/zinc/46/20/21/197462021.db2.gz ALNASLNAEITYKJ-CVEARBPZSA-N 1 0 314.454 3.148 20 70 DGIDRO CCCCCCOc1ccc(C(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160550569 197420652 /nfs/dbraw/zinc/42/06/52/197420652.db2.gz HLRSPVFYGMRUNA-INIZCTEOSA-N 1 0 304.434 3.080 20 70 DGIDRO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000160153968 197390055 /nfs/dbraw/zinc/39/00/55/197390055.db2.gz JHSVZFCVQMLSCP-OAHLLOKOSA-N 1 0 317.454 3.374 20 70 DGIDRO C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1F ZINC000160132398 197388144 /nfs/dbraw/zinc/38/81/44/197388144.db2.gz CAEBNSBJIIZIAV-QWHCGFSZSA-N 1 0 322.399 3.059 20 70 DGIDRO C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000160103901 197386529 /nfs/dbraw/zinc/38/65/29/197386529.db2.gz GSKXFOUVJZZNKT-QUCCMNQESA-N 1 0 308.425 3.267 20 70 DGIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000160104320 197385966 /nfs/dbraw/zinc/38/59/66/197385966.db2.gz GSKXFOUVJZZNKT-AZUAARDMSA-N 1 0 308.425 3.267 20 70 DGIDRO COc1ccc(C[C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000159893329 197372075 /nfs/dbraw/zinc/37/20/75/197372075.db2.gz YWKRGWUTEIZLNM-SUMWQHHRSA-N 1 0 305.443 3.185 20 70 DGIDRO COCCOc1ccccc1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000159866337 197369690 /nfs/dbraw/zinc/36/96/90/197369690.db2.gz YWVYNQVDMKZSFY-UHFFFAOYSA-N 1 0 315.413 3.352 20 70 DGIDRO C[C@@H](C[NH2+][C@@H](C)c1cncs1)N1CCc2sccc2C1 ZINC000159856059 197369204 /nfs/dbraw/zinc/36/92/04/197369204.db2.gz IUWVQNPYLJZYHO-RYUDHWBXSA-N 1 0 307.488 3.302 20 70 DGIDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c1 ZINC000159841045 197367920 /nfs/dbraw/zinc/36/79/20/197367920.db2.gz NUJRFQRYMIEARC-RDTXWAMCSA-N 1 0 316.445 3.472 20 70 DGIDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cnn(CCC(C)C)c1C ZINC000161274518 284806906 /nfs/dbraw/zinc/80/69/06/284806906.db2.gz HQTKGKQATROGDV-CQSZACIVSA-N 1 0 323.485 3.089 20 70 DGIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000160833728 400736224 /nfs/dbraw/zinc/73/62/24/400736224.db2.gz JVCHSYQWBRXOJK-LRDDRELGSA-N 1 0 304.365 3.164 20 70 DGIDRO CCc1ccc([C@@H](CO)[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000160786445 292821712 /nfs/dbraw/zinc/82/17/12/292821712.db2.gz HZMAPJWSZLYWBS-LJQANCHMSA-N 1 0 309.409 3.348 20 70 DGIDRO COc1ccc(Cl)cc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000217193796 165376185 /nfs/dbraw/zinc/37/61/85/165376185.db2.gz WUDJXLCBXLERAI-CYBMUJFWSA-N 1 0 324.852 3.229 20 70 DGIDRO C[C@@H](c1ccccc1Cl)N1CCC([N@H+](C)CCCO)CC1 ZINC000217213760 165376322 /nfs/dbraw/zinc/37/63/22/165376322.db2.gz DHXYVQCYYWVSJV-AWEZNQCLSA-N 1 0 310.869 3.180 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000217372635 165378650 /nfs/dbraw/zinc/37/86/50/165378650.db2.gz XHBXOQVHZGFKAV-GFCCVEGCSA-N 1 0 314.857 3.177 20 70 DGIDRO Cc1c2nc(NC(=O)[C@H](C(C)C)[NH+](C)C)sc2ccc1F ZINC000159542455 228243056 /nfs/dbraw/zinc/24/30/56/228243056.db2.gz YHRHDWIRFQKFMY-ZDUSSCGKSA-N 1 0 309.410 3.269 20 70 DGIDRO O=C(c1cc2cc(Cl)ccc2o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159797984 228243896 /nfs/dbraw/zinc/24/38/96/228243896.db2.gz IXXVEAYLHRNHQG-BETUJISGSA-N 1 0 304.777 3.053 20 70 DGIDRO Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160190911 280267329 /nfs/dbraw/zinc/26/73/29/280267329.db2.gz NEUPKMLNTJZOIK-CQSZACIVSA-N 1 0 308.381 3.458 20 70 DGIDRO CCc1ccc([C@H](CNC(=O)N(C)CC2CCC2)[NH+](C)C)cc1 ZINC000217148442 432654850 /nfs/dbraw/zinc/65/48/50/432654850.db2.gz AVDIMUNVZQTUSO-SFHVURJKSA-N 1 0 317.477 3.293 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCNCc1csc(-c2ccccn2)n1 ZINC000217388754 432655098 /nfs/dbraw/zinc/65/50/98/432655098.db2.gz CEPAVUAMZYVFBW-ZDUSSCGKSA-N 1 0 304.463 3.025 20 70 DGIDRO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCc2ccccc2CC1 ZINC000217223113 432655297 /nfs/dbraw/zinc/65/52/97/432655297.db2.gz OSXZZTBYEZYZGG-QGZVFWFLSA-N 1 0 322.452 3.307 20 70 DGIDRO CCC(CC)(C[NH2+]Cc1cc(-c2ccccc2)no1)C(=O)OC ZINC000159654328 432692504 /nfs/dbraw/zinc/69/25/04/432692504.db2.gz ITSMXAFZKKCJLS-UHFFFAOYSA-N 1 0 316.401 3.411 20 70 DGIDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000159777280 432695070 /nfs/dbraw/zinc/69/50/70/432695070.db2.gz QJEMDSUHTYKMAL-SNVBAGLBSA-N 1 0 313.323 3.478 20 70 DGIDRO Cc1nc2ccccn2c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160548721 432726012 /nfs/dbraw/zinc/72/60/12/432726012.db2.gz BOFIETSRBAFDQF-KRWDZBQOSA-N 1 0 312.461 3.093 20 70 DGIDRO Cc1ccc(C(=O)CCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000159823509 432697156 /nfs/dbraw/zinc/69/71/56/432697156.db2.gz ULMPVWSOYMNHCR-SFHVURJKSA-N 1 0 314.473 3.376 20 70 DGIDRO Cc1ccc(CCCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159854488 432698694 /nfs/dbraw/zinc/69/86/94/432698694.db2.gz WIDHVWPKPVNVMC-UHFFFAOYSA-N 1 0 314.473 3.308 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cnn(CC)c2)c1 ZINC000159871168 432698734 /nfs/dbraw/zinc/69/87/34/432698734.db2.gz ISZKPLPQOLBSEO-CQSZACIVSA-N 1 0 314.433 3.492 20 70 DGIDRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159853603 432699403 /nfs/dbraw/zinc/69/94/03/432699403.db2.gz YTWHAMXKTXKNFR-OCCSQVGLSA-N 1 0 303.324 3.178 20 70 DGIDRO CCCC(=O)Nc1cccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000159887424 432699908 /nfs/dbraw/zinc/69/99/08/432699908.db2.gz KZXYAIOVSUOPGT-YJBOKZPZSA-N 1 0 317.477 3.245 20 70 DGIDRO CCN(Cc1sccc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159904906 432701056 /nfs/dbraw/zinc/70/10/56/432701056.db2.gz NZRDCDXACPSYAI-UHFFFAOYSA-N 1 0 313.426 3.315 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000160166400 432708236 /nfs/dbraw/zinc/70/82/36/432708236.db2.gz JJSASIYBMLXTIC-JKSUJKDBSA-N 1 0 311.491 3.164 20 70 DGIDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])sc1-c1ccc(F)cc1 ZINC000160323763 432714370 /nfs/dbraw/zinc/71/43/70/432714370.db2.gz MQSCAVWRSYGXII-AWEZNQCLSA-N 1 0 318.417 3.426 20 70 DGIDRO Cc1ccc(COc2ccc(C[N@@H+]3CCC[C@H]3C(N)=O)cc2)cc1 ZINC000160360802 432715060 /nfs/dbraw/zinc/71/50/60/432715060.db2.gz RRGNFIHWFGLMFR-IBGZPJMESA-N 1 0 324.424 3.024 20 70 DGIDRO CC[NH+]1CCC(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000160337424 432716077 /nfs/dbraw/zinc/71/60/77/432716077.db2.gz JQBJQABKIWUOBN-ZDUSSCGKSA-N 1 0 308.853 3.119 20 70 DGIDRO c1nc2ccccn2c1C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000160393785 432717387 /nfs/dbraw/zinc/71/73/87/432717387.db2.gz APCCQMBIRRGTHR-INIZCTEOSA-N 1 0 307.397 3.378 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)CC2 ZINC000160384927 432718080 /nfs/dbraw/zinc/71/80/80/432718080.db2.gz QTIXETSGPBSYCF-SKDRFNHKSA-N 1 0 308.788 3.045 20 70 DGIDRO CC[N@H+](Cc1ccc(C(=O)N2CCSCC2)cc1)C(C)C ZINC000160388800 432718207 /nfs/dbraw/zinc/71/82/07/432718207.db2.gz CDZHYOSHECMKDX-UHFFFAOYSA-N 1 0 306.475 3.106 20 70 DGIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC2(CCC2)C1 ZINC000160393838 432718688 /nfs/dbraw/zinc/71/86/88/432718688.db2.gz GDKPVIZDCKXOKD-INIZCTEOSA-N 1 0 307.482 3.227 20 70 DGIDRO Cc1cc2c(ncnc2N2CCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000160427296 432718896 /nfs/dbraw/zinc/71/88/96/432718896.db2.gz WASLAYVNZGIVKS-CQSZACIVSA-N 1 0 316.474 3.454 20 70 DGIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cccs1 ZINC000160454405 432721048 /nfs/dbraw/zinc/72/10/48/432721048.db2.gz VGYRTOMKROVOBQ-OAHLLOKOSA-N 1 0 316.470 3.431 20 70 DGIDRO CC(C)n1ncc2cc(C[NH2+][C@@H]3CCOC(C)(C)C3)cnc21 ZINC000160436720 432722048 /nfs/dbraw/zinc/72/20/48/432722048.db2.gz PWQXQQPROLYAKF-OAHLLOKOSA-N 1 0 302.422 3.059 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000160464556 432722854 /nfs/dbraw/zinc/72/28/54/432722854.db2.gz SZHJBVKGTWNGTB-CMDGGOBGSA-N 1 0 309.479 3.088 20 70 DGIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC(F)F ZINC000160518241 432724564 /nfs/dbraw/zinc/72/45/64/432724564.db2.gz DCAUKWKRSGNKAG-GFCCVEGCSA-N 1 0 315.360 3.344 20 70 DGIDRO COCCN(C)CC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000159411271 432681075 /nfs/dbraw/zinc/68/10/75/432681075.db2.gz NLQKJWAMNIGSTE-CQSZACIVSA-N 1 0 319.474 3.039 20 70 DGIDRO CC(C)(C)c1nsc(N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000159389628 432681780 /nfs/dbraw/zinc/68/17/80/432681780.db2.gz CFYVBAZOZWWNEI-CYBMUJFWSA-N 1 0 308.495 3.290 20 70 DGIDRO CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000159572383 432688774 /nfs/dbraw/zinc/68/87/74/432688774.db2.gz YJHDKMJFGFRAIR-LPHOPBHVSA-N 1 0 315.461 3.122 20 70 DGIDRO CS[C@H](C)CC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160881345 432746936 /nfs/dbraw/zinc/74/69/36/432746936.db2.gz KOXQFSFJMZPJEN-HZSPNIEDSA-N 1 0 300.512 3.001 20 70 DGIDRO CC[N@@H+](Cc1scnc1C)C[C@@H]1COc2ccccc2O1 ZINC000160955460 432750848 /nfs/dbraw/zinc/75/08/48/432750848.db2.gz DXDKWLKAEBTGJP-CYBMUJFWSA-N 1 0 304.415 3.113 20 70 DGIDRO C[C@H](CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161485381 432782103 /nfs/dbraw/zinc/78/21/03/432782103.db2.gz YWLSJIPFYAEZMI-SNPRPXQTSA-N 1 0 324.415 3.447 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160982622 432752455 /nfs/dbraw/zinc/75/24/55/432752455.db2.gz OWGHDCOEUASCEG-JKSUJKDBSA-N 1 0 318.486 3.247 20 70 DGIDRO CC(C)CCOc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160996445 432752911 /nfs/dbraw/zinc/75/29/11/432752911.db2.gz JSHJHIIWIKQNMX-HNNXBMFYSA-N 1 0 306.450 3.287 20 70 DGIDRO CC[C@H](NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1)c1cnn(C)c1 ZINC000161012834 432753745 /nfs/dbraw/zinc/75/37/45/432753745.db2.gz NDZJQQZSWVOSCD-RDJZCZTQSA-N 1 0 306.498 3.361 20 70 DGIDRO CC(C)[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc2c(c1)OCCO2 ZINC000161026043 432753978 /nfs/dbraw/zinc/75/39/78/432753978.db2.gz ORAXSPVZXULNEH-UGSOOPFHSA-N 1 0 315.417 3.239 20 70 DGIDRO c1ccc2c(c1)CC[C@H]2C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000161007015 432754578 /nfs/dbraw/zinc/75/45/78/432754578.db2.gz AETPSZZIEOMSKA-IBGZPJMESA-N 1 0 321.468 3.366 20 70 DGIDRO COc1ccc(OC)c([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161016113 432755001 /nfs/dbraw/zinc/75/50/01/432755001.db2.gz AOSOFSNDKUOAHB-ILXRZTDVSA-N 1 0 306.450 3.227 20 70 DGIDRO CCn1cc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cn1 ZINC000161051656 432756317 /nfs/dbraw/zinc/75/63/17/432756317.db2.gz IIFVTHVSDWLFLF-UHFFFAOYSA-N 1 0 310.401 3.424 20 70 DGIDRO C[C@@]1(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC000161073116 432757698 /nfs/dbraw/zinc/75/76/98/432757698.db2.gz GDESDZWMJZLNJD-PZJWPPBQSA-N 1 0 322.452 3.129 20 70 DGIDRO CCC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)C(C)C ZINC000161085718 432758015 /nfs/dbraw/zinc/75/80/15/432758015.db2.gz HNSQWQAUUZSMJK-MSOLQXFVSA-N 1 0 320.477 3.486 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000161076340 432758231 /nfs/dbraw/zinc/75/82/31/432758231.db2.gz VKPJCXXTBFXFNK-WOJBJXKFSA-N 1 0 322.452 3.271 20 70 DGIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000161136449 432761951 /nfs/dbraw/zinc/76/19/51/432761951.db2.gz KRLDAONZDXGZIJ-INIZCTEOSA-N 1 0 322.474 3.165 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)NCc1c(OC)ccc2ccccc21 ZINC000161172264 432763355 /nfs/dbraw/zinc/76/33/55/432763355.db2.gz UUMCHONIPQOBMW-UHFFFAOYSA-N 1 0 314.429 3.230 20 70 DGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCCOC)cc1 ZINC000161172558 432764048 /nfs/dbraw/zinc/76/40/48/432764048.db2.gz LPFPWLJQLKCUOL-FUHWJXTLSA-N 1 0 320.477 3.237 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCSCc2ccc(C)cc2)CC1 ZINC000161204834 432767444 /nfs/dbraw/zinc/76/74/44/432767444.db2.gz DVNVPHSDTZRAKB-UHFFFAOYSA-N 1 0 320.502 3.265 20 70 DGIDRO CCCCOc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161306698 432770894 /nfs/dbraw/zinc/77/08/94/432770894.db2.gz HPFQEWSCNPQCSD-UHFFFAOYSA-N 1 0 318.461 3.402 20 70 DGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000161289493 432771457 /nfs/dbraw/zinc/77/14/57/432771457.db2.gz PHTATFVWLJISKH-DOMZBBRYSA-N 1 0 324.852 3.400 20 70 DGIDRO CN(CCCC[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161343990 432775072 /nfs/dbraw/zinc/77/50/72/432775072.db2.gz HNODXOGUBWQAEI-UHFFFAOYSA-N 1 0 318.461 3.178 20 70 DGIDRO c1c(C[NH2+]C2CCC3(CC2)OCCO3)noc1-c1ccccc1 ZINC000161396197 432776363 /nfs/dbraw/zinc/77/63/63/432776363.db2.gz NNRIZPQZMCVECN-UHFFFAOYSA-N 1 0 314.385 3.117 20 70 DGIDRO C[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)COCc1ccccc1 ZINC000161388088 432776618 /nfs/dbraw/zinc/77/66/18/432776618.db2.gz FVWZEJDRYQAKSQ-INIZCTEOSA-N 1 0 319.445 3.115 20 70 DGIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1C=CCCC1 ZINC000161394930 432776811 /nfs/dbraw/zinc/77/68/11/432776811.db2.gz XEVPCIJGPOKZHV-QZTJIDSGSA-N 1 0 313.445 3.231 20 70 DGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)CCC=C(C)C)c1 ZINC000161427333 432777634 /nfs/dbraw/zinc/77/76/34/432777634.db2.gz IRVAVOOIJVHAOP-CABCVRRESA-N 1 0 324.490 3.380 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2ccccc2F)CC1 ZINC000161410322 432778316 /nfs/dbraw/zinc/77/83/16/432778316.db2.gz UMNVSKNLICLGBK-UHFFFAOYSA-N 1 0 306.425 3.140 20 70 DGIDRO Cc1cc([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)c(C)o1 ZINC000161419229 432778423 /nfs/dbraw/zinc/77/84/23/432778423.db2.gz PBCXORVOYMTCIW-CYBMUJFWSA-N 1 0 300.402 3.449 20 70 DGIDRO COc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1F ZINC000161457841 432779152 /nfs/dbraw/zinc/77/91/52/432779152.db2.gz OBAQTJWAEGRVSN-CZUORRHYSA-N 1 0 303.377 3.261 20 70 DGIDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1F ZINC000161457592 432779789 /nfs/dbraw/zinc/77/97/89/432779789.db2.gz OBAQTJWAEGRVSN-CJNGLKHVSA-N 1 0 303.377 3.261 20 70 DGIDRO CCc1nnc(C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)[nH]1 ZINC000160561079 432728698 /nfs/dbraw/zinc/72/86/98/432728698.db2.gz DCYFAIRROWTQOD-AWEZNQCLSA-N 1 0 320.412 3.090 20 70 DGIDRO CC[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@H]1CCOC1 ZINC000160623802 432732392 /nfs/dbraw/zinc/73/23/92/432732392.db2.gz ZDEGHBKRLSPQCG-UONOGXRCSA-N 1 0 308.491 3.359 20 70 DGIDRO COc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)cc(OC)c1OC ZINC000160658097 432733351 /nfs/dbraw/zinc/73/33/51/432733351.db2.gz VIVZFAPLTPAJRW-NSHDSACASA-N 1 0 320.364 3.097 20 70 DGIDRO COc1cc([C@@H](C)[NH2+]CCOCC(C)C)cc(OC)c1OC ZINC000160693461 432735787 /nfs/dbraw/zinc/73/57/87/432735787.db2.gz PNPYLVKPKBBOFH-CYBMUJFWSA-N 1 0 311.422 3.036 20 70 DGIDRO CCCC[C@H](COC)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160735431 432738917 /nfs/dbraw/zinc/73/89/17/432738917.db2.gz KDRZYKOOEQVZRR-MSOLQXFVSA-N 1 0 318.461 3.145 20 70 DGIDRO CC(C)n1ccnc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160736754 432738934 /nfs/dbraw/zinc/73/89/34/432738934.db2.gz KRVRZUDZQZNLIF-UHFFFAOYSA-N 1 0 312.461 3.172 20 70 DGIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1ccc(F)cc1F ZINC000160756563 432739609 /nfs/dbraw/zinc/73/96/09/432739609.db2.gz RMLBCUPKHKEVOA-UONOGXRCSA-N 1 0 324.415 3.134 20 70 DGIDRO CC[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)c1ccc(F)cc1 ZINC000160779535 432740520 /nfs/dbraw/zinc/74/05/20/432740520.db2.gz UUMPPTDJQLLHFK-MRXNPFEDSA-N 1 0 315.392 3.415 20 70 DGIDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000160782528 432740704 /nfs/dbraw/zinc/74/07/04/432740704.db2.gz DNMSFSVKKCMBHQ-ZDUSSCGKSA-N 1 0 311.223 3.166 20 70 DGIDRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000160772886 432740844 /nfs/dbraw/zinc/74/08/44/432740844.db2.gz BBYWLAPSUVDXKC-HZPDHXFCSA-N 1 0 321.428 3.253 20 70 DGIDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)ccn1 ZINC000160809737 432742558 /nfs/dbraw/zinc/74/25/58/432742558.db2.gz HCSYUSZEYKPNCF-HLLBOEOZSA-N 1 0 306.450 3.410 20 70 DGIDRO O=C(/C=C/c1sc2ccccc2c1Cl)N1CCC[NH2+]CC1 ZINC000160834528 432744373 /nfs/dbraw/zinc/74/43/73/432744373.db2.gz WTWKFIQDRACHGF-VOTSOKGWSA-N 1 0 320.845 3.390 20 70 DGIDRO CC[C@@]1(C)C[C@@H]1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000160849343 432745512 /nfs/dbraw/zinc/74/55/12/432745512.db2.gz JZWXRUZAEPVDMV-AEFFLSMTSA-N 1 0 304.434 3.139 20 70 DGIDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000159394332 292791825 /nfs/dbraw/zinc/79/18/25/292791825.db2.gz BNFDOBNRWNXVRO-UHFFFAOYSA-N 1 0 320.330 3.258 20 70 DGIDRO Brc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159677825 292798281 /nfs/dbraw/zinc/79/82/81/292798281.db2.gz FFDIMQCYZOCLPU-KFWWJZLASA-N 1 0 322.246 3.496 20 70 DGIDRO Cc1cccc(CC[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000159843470 292801515 /nfs/dbraw/zinc/80/15/15/292801515.db2.gz VONDLEWYDVONLQ-LJQANCHMSA-N 1 0 308.425 3.147 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000159942999 292803710 /nfs/dbraw/zinc/80/37/10/292803710.db2.gz LQWZTNAUYQSDFQ-AWEZNQCLSA-N 1 0 304.434 3.330 20 70 DGIDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC1CCC(C(C)C)CC1 ZINC000160472941 292815425 /nfs/dbraw/zinc/81/54/25/292815425.db2.gz CVVOHYBLLMTZAQ-HTWSVDAQSA-N 1 0 324.509 3.111 20 70 DGIDRO CC[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000160496945 292815676 /nfs/dbraw/zinc/81/56/76/292815676.db2.gz FSZHRTBLANETFI-IUODEOHRSA-N 1 0 317.351 3.489 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)NCc1ccc(F)cc1 ZINC000160545596 292817056 /nfs/dbraw/zinc/81/70/56/292817056.db2.gz YFJALWVSSODZIE-UHFFFAOYSA-N 1 0 309.429 3.089 20 70 DGIDRO C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160918038 292823710 /nfs/dbraw/zinc/82/37/10/292823710.db2.gz CNFQKDWBUIJYNF-AWEZNQCLSA-N 1 0 314.404 3.248 20 70 DGIDRO O=C(C1CCC(c2ccccc2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160423878 295442374 /nfs/dbraw/zinc/44/23/74/295442374.db2.gz IUYOIYWBLHDPSQ-YHFFBGSDSA-N 1 0 312.457 3.313 20 70 DGIDRO Cc1c(F)cccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160733014 533888466 /nfs/dbraw/zinc/88/84/66/533888466.db2.gz NXOACERNCCZIGK-UHFFFAOYSA-N 1 0 307.413 3.376 20 70 DGIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc(Cl)c1OC ZINC000160568009 533896139 /nfs/dbraw/zinc/89/61/39/533896139.db2.gz ACVYIXCFIPPHSV-GFCCVEGCSA-N 1 0 313.825 3.404 20 70 DGIDRO CCCCCOc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160987197 517557592 /nfs/dbraw/zinc/55/75/92/517557592.db2.gz XEMNBKSJDQRFNG-OAHLLOKOSA-N 1 0 306.450 3.431 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)on1 ZINC000160654043 522026838 /nfs/dbraw/zinc/02/68/38/522026838.db2.gz FTUPSPMAYDIQSK-HNNXBMFYSA-N 1 0 321.465 3.430 20 70 DGIDRO C[N@H+](CCCF)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160476389 522743181 /nfs/dbraw/zinc/74/31/81/522743181.db2.gz GBWPHALIDJRCPS-PBWFPOADSA-N 1 0 300.418 3.208 20 70 DGIDRO CC[C@@H]([NH2+]CCCN1CCOCC1)c1cccc(Cl)c1F ZINC000161474964 522828984 /nfs/dbraw/zinc/82/89/84/522828984.db2.gz ADHXVCUHDOCOFE-OAHLLOKOSA-N 1 0 314.832 3.242 20 70 DGIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160364780 524605309 /nfs/dbraw/zinc/60/53/09/524605309.db2.gz VABQJHQPMZZBQE-BJJXKVORSA-N 1 0 322.399 3.059 20 70 DGIDRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000160221271 526310794 /nfs/dbraw/zinc/31/07/94/526310794.db2.gz UQLOKILOWNWIIS-GOEBONIOSA-N 1 0 322.399 3.061 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(CC(C)C)cc1)CC2 ZINC000160299347 527196239 /nfs/dbraw/zinc/19/62/39/527196239.db2.gz GTNBZCJWRDIWNM-KSSFIOAISA-N 1 0 312.461 3.451 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(CC(C)C)cc1)CC2 ZINC000160299200 527198050 /nfs/dbraw/zinc/19/80/50/527198050.db2.gz GTNBZCJWRDIWNM-KBXCAEBGSA-N 1 0 312.461 3.451 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(CC(C)C)cc1)CC2 ZINC000160299488 527198281 /nfs/dbraw/zinc/19/82/81/527198281.db2.gz GTNBZCJWRDIWNM-RDTXWAMCSA-N 1 0 312.461 3.451 20 70 DGIDRO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000159433867 546053123 /nfs/dbraw/zinc/05/31/23/546053123.db2.gz SDKYRRGXAQVVIM-XHDPSFHLSA-N 1 0 302.349 3.101 20 70 DGIDRO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000159433732 546053345 /nfs/dbraw/zinc/05/33/45/546053345.db2.gz SDKYRRGXAQVVIM-IAQYHMDHSA-N 1 0 302.349 3.101 20 70 DGIDRO CCC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC000159385851 546053669 /nfs/dbraw/zinc/05/36/69/546053669.db2.gz IDABNKMTUQIEGW-AEFFLSMTSA-N 1 0 315.461 3.304 20 70 DGIDRO CC(C)OC1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000159510255 546054194 /nfs/dbraw/zinc/05/41/94/546054194.db2.gz FOZADJBOHDXYOZ-KLAILNCOSA-N 1 0 310.482 3.103 20 70 DGIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccnc(C)c2Cl)C1 ZINC000159833645 546056334 /nfs/dbraw/zinc/05/63/34/546056334.db2.gz XVOTXBUVHBKYGY-ZDUSSCGKSA-N 1 0 324.856 3.239 20 70 DGIDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cccc(-n2cnnn2)c1 ZINC000160957037 546063179 /nfs/dbraw/zinc/06/31/79/546063179.db2.gz ZLCSIOWHPLNOCC-PBHICJAKSA-N 1 0 319.412 3.043 20 70 DGIDRO Cc1ccc(C)c(OCCCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161069592 546064476 /nfs/dbraw/zinc/06/44/76/546064476.db2.gz RYYCGJSSBMQZGS-SJORKVTESA-N 1 0 318.461 3.239 20 70 DGIDRO Cc1ccc(C)c(OCCCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161069358 546064652 /nfs/dbraw/zinc/06/46/52/546064652.db2.gz RYYCGJSSBMQZGS-IRXDYDNUSA-N 1 0 318.461 3.239 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000161400515 546068383 /nfs/dbraw/zinc/06/83/83/546068383.db2.gz LYOFDXHXQAGKKF-HZPDHXFCSA-N 1 0 304.409 3.024 20 70 DGIDRO COc1cc(F)c([C@H](C)NCc2ccc(C)nc2)cc1OC ZINC000161320276 546068387 /nfs/dbraw/zinc/06/83/87/546068387.db2.gz KLJBXGJVYQOPKZ-LBPRGKRZSA-N 1 0 304.365 3.397 20 70 DGIDRO COCCN(CC[NH2+]C1CCC(C)CC1)C(=O)OC(C)(C)C ZINC000218138693 627104175 /nfs/dbraw/zinc/10/41/75/627104175.db2.gz JHEKESUEVNMAOH-UHFFFAOYSA-N 1 0 314.470 3.038 20 70 DGIDRO CC(C)Oc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000218101461 627104200 /nfs/dbraw/zinc/10/42/00/627104200.db2.gz ZOKWOJWEOUZRPW-UHFFFAOYSA-N 1 0 308.422 3.088 20 70 DGIDRO Cc1nccn1CCCC[NH+]1CCN(c2ccccc2C)CC1 ZINC000161471578 282204042 /nfs/dbraw/zinc/20/40/42/282204042.db2.gz CGYCYYZODOJBPK-UHFFFAOYSA-N 1 0 312.461 3.102 20 70 DGIDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCSC2)nnn1-c1ccc(F)cc1 ZINC000159597761 186129392 /nfs/dbraw/zinc/12/93/92/186129392.db2.gz GAHOMQLQGZRQBI-SMDDNHRTSA-N 1 0 320.437 3.261 20 70 DGIDRO Cc1cccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1F ZINC000159640060 186132284 /nfs/dbraw/zinc/13/22/84/186132284.db2.gz VJJUCCQNESXPSW-MRXNPFEDSA-N 1 0 318.367 3.306 20 70 DGIDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1SC ZINC000159669497 186133943 /nfs/dbraw/zinc/13/39/43/186133943.db2.gz UOHLRKSZHMCCHL-XKQJLSEDSA-N 1 0 319.470 3.464 20 70 DGIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](CC(C)C)c1ccccc1C ZINC000159692235 186135962 /nfs/dbraw/zinc/13/59/62/186135962.db2.gz MHKVRKHBYUICLG-JKSUJKDBSA-N 1 0 308.491 3.279 20 70 DGIDRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@@H]1CCC[NH2+]C1 ZINC000160082607 284099637 /nfs/dbraw/zinc/09/96/37/284099637.db2.gz VMWNEFURPCNXNH-NOZJJQNGSA-N 1 0 313.228 3.097 20 70 DGIDRO C[C@H](C[NH2+]C1CCC2(CC1)OCCO2)COCc1ccccc1 ZINC000161388204 197491321 /nfs/dbraw/zinc/49/13/21/197491321.db2.gz FVWZEJDRYQAKSQ-MRXNPFEDSA-N 1 0 319.445 3.115 20 70 DGIDRO C[C@H](CC(=O)N(C)Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC000161415597 197493924 /nfs/dbraw/zinc/49/39/24/197493924.db2.gz TUTRHMWDWAQOLB-ZBFHGGJFSA-N 1 0 314.429 3.417 20 70 DGIDRO CCCCCOc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161326889 197485685 /nfs/dbraw/zinc/48/56/85/197485685.db2.gz ZQDDETJFRRSKLM-MRXNPFEDSA-N 1 0 304.434 3.080 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc2c(s1)CCCCCC2 ZINC000161216297 197475105 /nfs/dbraw/zinc/47/51/05/197475105.db2.gz XMKDSFSGHOEORS-AWEZNQCLSA-N 1 0 306.475 3.231 20 70 DGIDRO CCO[C@H]1C[C@H](N(C)C(=O)CCCCCC[NH3+])C12CCCCC2 ZINC000161020149 197457125 /nfs/dbraw/zinc/45/71/25/197457125.db2.gz OWVPQTWDMMDMAI-IRXDYDNUSA-N 1 0 324.509 3.482 20 70 DGIDRO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(F)cc1F ZINC000160891127 197447732 /nfs/dbraw/zinc/44/77/32/197447732.db2.gz KXXTYENHWYRWPK-QGZVFWFLSA-N 1 0 310.388 3.264 20 70 DGIDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OC(F)F ZINC000160490375 197416138 /nfs/dbraw/zinc/41/61/38/197416138.db2.gz MXBYILAWXXZCBF-LBPRGKRZSA-N 1 0 315.360 3.344 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000160511247 197417702 /nfs/dbraw/zinc/41/77/02/197417702.db2.gz MBTWUDOXENGUBY-LBPRGKRZSA-N 1 0 312.841 3.049 20 70 DGIDRO CCc1ccc([C@@H](C)CC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000160279847 197397905 /nfs/dbraw/zinc/39/79/05/197397905.db2.gz NFHRPXHKGPGRMB-RDJZCZTQSA-N 1 0 302.462 3.153 20 70 DGIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000160197844 197392643 /nfs/dbraw/zinc/39/26/43/197392643.db2.gz PONLFQLMQLFOGQ-AWEZNQCLSA-N 1 0 314.433 3.065 20 70 DGIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc2c(c1)OCO2 ZINC000160114692 197387452 /nfs/dbraw/zinc/38/74/52/197387452.db2.gz FFPZPYKAQUQVBE-BZNIZROVSA-N 1 0 305.399 3.035 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000160087141 197384488 /nfs/dbraw/zinc/38/44/88/197384488.db2.gz HCINOHGQCBQMHC-KBPBESRZSA-N 1 0 324.465 3.093 20 70 DGIDRO O=C(c1ccc(Oc2ccccc2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159395058 197350587 /nfs/dbraw/zinc/35/05/87/197350587.db2.gz MAGUHEUQBMWDMF-FQEVSTJZSA-N 1 0 322.408 3.305 20 70 DGIDRO CC[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000161327950 400740465 /nfs/dbraw/zinc/74/04/65/400740465.db2.gz FZCYWEZTXTVNJI-CQSZACIVSA-N 1 0 303.855 3.206 20 70 DGIDRO COc1ccc(C(=O)NCC2([NH3+])CCCCC2)c2ccccc12 ZINC000159566206 228242848 /nfs/dbraw/zinc/24/28/48/228242848.db2.gz SKLQSUJKLQZDMJ-UHFFFAOYSA-N 1 0 312.413 3.240 20 70 DGIDRO c1ccc(CCOC2CC[NH+](CCOCC3CC3)CC2)cc1 ZINC000159714677 228243108 /nfs/dbraw/zinc/24/31/08/228243108.db2.gz YNWNITIFFGUJJY-UHFFFAOYSA-N 1 0 303.446 3.137 20 70 DGIDRO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000161038936 228249800 /nfs/dbraw/zinc/24/98/00/228249800.db2.gz RERDGWONEYQULA-HNAYVOBHSA-N 1 0 308.425 3.483 20 70 DGIDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000161425519 274250566 /nfs/dbraw/zinc/25/05/66/274250566.db2.gz IKCLPZGDGBYKHQ-RULNRJAQSA-N 1 0 304.217 3.041 20 70 DGIDRO Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159841932 274668933 /nfs/dbraw/zinc/66/89/33/274668933.db2.gz GTZFXXGADSBLLB-TXEJJXNPSA-N 1 0 318.804 3.361 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1sc2ccc(F)cc2c1C ZINC000161209646 277285400 /nfs/dbraw/zinc/28/54/00/277285400.db2.gz HWLCIHUIBCZJGW-GFCCVEGCSA-N 1 0 306.406 3.173 20 70 DGIDRO CCC(CC)(C[NH2+]Cc1cccnc1)NC(=O)OC(C)(C)C ZINC000217697422 432655888 /nfs/dbraw/zinc/65/58/88/432655888.db2.gz NBOVTPYAQLJTSI-UHFFFAOYSA-N 1 0 307.438 3.255 20 70 DGIDRO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159748380 432695421 /nfs/dbraw/zinc/69/54/21/432695421.db2.gz ZNHUSNUDCZFCKS-QZTJIDSGSA-N 1 0 304.478 3.193 20 70 DGIDRO CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1(C)C ZINC000159782322 432695495 /nfs/dbraw/zinc/69/54/95/432695495.db2.gz MYNWFCUUWPEFRL-HUUCEWRRSA-N 1 0 318.452 3.289 20 70 DGIDRO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000159792836 432696402 /nfs/dbraw/zinc/69/64/02/432696402.db2.gz KBOZJAFZLSDJAL-ULQDDVLXSA-N 1 0 318.461 3.032 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000159836854 432697276 /nfs/dbraw/zinc/69/72/76/432697276.db2.gz NORSYTQNPCNXDQ-CJNGLKHVSA-N 1 0 324.852 3.017 20 70 DGIDRO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H]3c3cccc(C)n3)cc12 ZINC000159843719 432697932 /nfs/dbraw/zinc/69/79/32/432697932.db2.gz RBSMSGOTRFQMGI-SFHVURJKSA-N 1 0 321.428 3.317 20 70 DGIDRO CCN(Cc1ccc(C)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159905081 432701560 /nfs/dbraw/zinc/70/15/60/432701560.db2.gz JPUCBXSOQMLICR-UHFFFAOYSA-N 1 0 313.426 3.315 20 70 DGIDRO CCN(CC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159998229 432702902 /nfs/dbraw/zinc/70/29/02/432702902.db2.gz VXARNEANPQTFMV-SJLPKXTDSA-N 1 0 317.477 3.433 20 70 DGIDRO CC(C)(C)C(=O)N1CCC(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000160062260 432704578 /nfs/dbraw/zinc/70/45/78/432704578.db2.gz KUCQKAYHEWYAEO-CALCHBBNSA-N 1 0 306.494 3.393 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000160110884 432706580 /nfs/dbraw/zinc/70/65/80/432706580.db2.gz BQHVHSXCRWUZLM-HOTGVXAUSA-N 1 0 317.477 3.194 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000160143036 432708287 /nfs/dbraw/zinc/70/82/87/432708287.db2.gz YSJUURQECZCIEP-CHWSQXEVSA-N 1 0 317.882 3.201 20 70 DGIDRO CC[N@@H+]1CC[C@H](CNC(=O)CCc2ccc(CC(C)C)cc2)C1 ZINC000160124529 432709112 /nfs/dbraw/zinc/70/91/12/432709112.db2.gz HQUXOVXVYDJVPT-LJQANCHMSA-N 1 0 316.489 3.276 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000160196090 432710247 /nfs/dbraw/zinc/71/02/47/432710247.db2.gz OQFKBEMLDUMXMX-OCCSQVGLSA-N 1 0 317.882 3.201 20 70 DGIDRO Cc1cc(N2CCC(n3ccnn3)CC2)c2cc(F)ccc2[nH+]1 ZINC000160230435 432711371 /nfs/dbraw/zinc/71/13/71/432711371.db2.gz JMXMSJMXRAUWOX-UHFFFAOYSA-N 1 0 311.364 3.115 20 70 DGIDRO C[N@H+](CC(=O)N1CCC[C@H](C(C)(C)C)CC1)[C@@H]1CCSC1 ZINC000160283788 432714226 /nfs/dbraw/zinc/71/42/26/432714226.db2.gz NESQRDDMRSTRPB-LSDHHAIUSA-N 1 0 312.523 3.099 20 70 DGIDRO COC(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)OC ZINC000160343827 432715980 /nfs/dbraw/zinc/71/59/80/432715980.db2.gz DWPIMWNMXBTQRS-HNNXBMFYSA-N 1 0 309.456 3.376 20 70 DGIDRO CCC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(OC)cc1 ZINC000160337733 432716230 /nfs/dbraw/zinc/71/62/30/432716230.db2.gz JZDHKADPKMTSNK-DOTOQJQBSA-N 1 0 314.433 3.041 20 70 DGIDRO C[C@@H]1CCCN(c2cc(N[C@@H]3CCO[C@H](C4CC4)C3)ncn2)C1 ZINC000160367722 432717809 /nfs/dbraw/zinc/71/78/09/432717809.db2.gz BPBJZKDPBZDIQU-BMFZPTHFSA-N 1 0 316.449 3.082 20 70 DGIDRO CC[C@H](COC)[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000160396001 432719945 /nfs/dbraw/zinc/71/99/45/432719945.db2.gz QDCRLRRYMOYIJH-VXGBXAGGSA-N 1 0 316.239 3.231 20 70 DGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(O)c1 ZINC000160444817 432720743 /nfs/dbraw/zinc/72/07/43/432720743.db2.gz IVQCWDWLXVEISM-UHFFFAOYSA-N 1 0 301.386 3.049 20 70 DGIDRO CC(C)n1ncc2cc(C[NH2+][C@H]3CCOC(C)(C)C3)cnc21 ZINC000160436852 432721257 /nfs/dbraw/zinc/72/12/57/432721257.db2.gz PWQXQQPROLYAKF-HNNXBMFYSA-N 1 0 302.422 3.059 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000160477019 432723054 /nfs/dbraw/zinc/72/30/54/432723054.db2.gz IRBFOUXCYYRDAM-UHFFFAOYSA-N 1 0 321.808 3.242 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2c(F)cccc2N2CCCC2)CCO1 ZINC000160489420 432723224 /nfs/dbraw/zinc/72/32/24/432723224.db2.gz GXRWDKMKQBTVQK-AWEZNQCLSA-N 1 0 306.425 3.473 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000159387994 432681255 /nfs/dbraw/zinc/68/12/55/432681255.db2.gz KXTBZYPBZSCUQE-HOTGVXAUSA-N 1 0 305.466 3.160 20 70 DGIDRO CC1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCCC1 ZINC000159469726 432683271 /nfs/dbraw/zinc/68/32/71/432683271.db2.gz JJBCWHWXDDWZPK-MRXNPFEDSA-N 1 0 307.482 3.227 20 70 DGIDRO CCC1(CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000159455528 432684282 /nfs/dbraw/zinc/68/42/82/432684282.db2.gz RGFMSVRLFDXFTN-UHFFFAOYSA-N 1 0 321.509 3.474 20 70 DGIDRO CN(C)c1ccccc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159485932 432685378 /nfs/dbraw/zinc/68/53/78/432685378.db2.gz CXWDWHYQFVFCNU-NRFANRHFSA-N 1 0 322.452 3.427 20 70 DGIDRO CCS[C@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159489249 432685563 /nfs/dbraw/zinc/68/55/63/432685563.db2.gz PMSYQQZMICDHEG-CABCVRRESA-N 1 0 315.527 3.032 20 70 DGIDRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCC[C@@H]1O ZINC000159602262 432688065 /nfs/dbraw/zinc/68/80/65/432688065.db2.gz ZOEAUTBTLUGVSF-FZMZJTMJSA-N 1 0 316.214 3.181 20 70 DGIDRO Cc1cccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1F ZINC000159631903 432690937 /nfs/dbraw/zinc/69/09/37/432690937.db2.gz GGQUFMAEFIWPFZ-INIZCTEOSA-N 1 0 314.404 3.037 20 70 DGIDRO CCN(CCCNC(=O)C1(CCOC)CCC1)c1ccccc1 ZINC000159696800 432691996 /nfs/dbraw/zinc/69/19/96/432691996.db2.gz JFFGGFCMPKRRGD-UHFFFAOYSA-N 1 0 318.461 3.226 20 70 DGIDRO CCn1cc([C@H](C)[NH2+]C[C@@H](C)N(C)Cc2ccccc2)cn1 ZINC000160872680 432747548 /nfs/dbraw/zinc/74/75/48/432747548.db2.gz SJJBMQBSCBJMSA-CVEARBPZSA-N 1 0 300.450 3.074 20 70 DGIDRO COCCOc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC ZINC000160877123 432748403 /nfs/dbraw/zinc/74/84/03/432748403.db2.gz XWSXJLVNOSIEEY-UHFFFAOYSA-N 1 0 319.401 3.254 20 70 DGIDRO Cc1cccc([C@@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)c1 ZINC000160966292 432751002 /nfs/dbraw/zinc/75/10/02/432751002.db2.gz MMFPLYSPZICNCX-KRWDZBQOSA-N 1 0 309.475 3.345 20 70 DGIDRO CC(C)S(=O)(=O)CCC[N@H+](CC1CCCCC1)C1CC1 ZINC000160936667 432751534 /nfs/dbraw/zinc/75/15/34/432751534.db2.gz ROFNQIWOEGOZQB-UHFFFAOYSA-N 1 0 301.496 3.244 20 70 DGIDRO CC(C)[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc2c(c1)OCCO2 ZINC000161026299 432753868 /nfs/dbraw/zinc/75/38/68/432753868.db2.gz ORAXSPVZXULNEH-ACJLOTCBSA-N 1 0 315.417 3.239 20 70 DGIDRO CC(C)[N@H+](C)CC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000161103789 432759188 /nfs/dbraw/zinc/75/91/88/432759188.db2.gz YJWFAOVMTCOROV-UHFFFAOYSA-N 1 0 310.388 3.191 20 70 DGIDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccs1 ZINC000161144216 432761108 /nfs/dbraw/zinc/76/11/08/432761108.db2.gz FQBMBAVLTLXFJU-ZDUSSCGKSA-N 1 0 304.463 3.349 20 70 DGIDRO Cc1ccccc1[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)C(C)C ZINC000161173273 432764724 /nfs/dbraw/zinc/76/47/24/432764724.db2.gz PPXQGUSPSNBHEL-QAPCUYQASA-N 1 0 320.502 3.246 20 70 DGIDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CO)CC(C)C)cc1)C(C)C ZINC000161199831 432765416 /nfs/dbraw/zinc/76/54/16/432765416.db2.gz DZGDRSDUOIAZOX-GOSISDBHSA-N 1 0 320.477 3.054 20 70 DGIDRO CCC[N@H+](CCO)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000161207463 432767149 /nfs/dbraw/zinc/76/71/49/432767149.db2.gz TZGKROQLDMMIJH-UHFFFAOYSA-N 1 0 320.458 3.235 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000161209906 432767314 /nfs/dbraw/zinc/76/73/14/432767314.db2.gz WERYGPOOZHXBSM-ZDUSSCGKSA-N 1 0 304.365 3.198 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000161241877 432768847 /nfs/dbraw/zinc/76/88/47/432768847.db2.gz XWNNICLGJDWNFP-CQSZACIVSA-N 1 0 306.450 3.070 20 70 DGIDRO CC(C)(O)CC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000161272204 432769105 /nfs/dbraw/zinc/76/91/05/432769105.db2.gz GIBCWOFGXGERPH-UHFFFAOYSA-N 1 0 320.355 3.008 20 70 DGIDRO C[C@@H]1CCC[C@H](OCCCCCC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000161262178 432770120 /nfs/dbraw/zinc/77/01/20/432770120.db2.gz UBTCSNOOKMTYTC-SQNIBIBYSA-N 1 0 324.509 3.210 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)N[C@H](C)CCC[NH+](CC)CC)on1 ZINC000161293542 432771077 /nfs/dbraw/zinc/77/10/77/432771077.db2.gz WOQVVEOXSUTUMH-UONOGXRCSA-N 1 0 309.454 3.428 20 70 DGIDRO O=C(NC(c1cccs1)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000161299834 432771354 /nfs/dbraw/zinc/77/13/54/432771354.db2.gz LQRMLDDMJPIILJ-LLVKDONJSA-N 1 0 306.456 3.015 20 70 DGIDRO C[C@@H]1C[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000161294036 432771857 /nfs/dbraw/zinc/77/18/57/432771857.db2.gz LSUGDSSFPMWEJX-WXMODFLSSA-N 1 0 306.837 3.281 20 70 DGIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cn1 ZINC000161315627 432773190 /nfs/dbraw/zinc/77/31/90/432773190.db2.gz NAUCHKKSRXMERJ-HNNXBMFYSA-N 1 0 309.413 3.368 20 70 DGIDRO CCc1ccc([C@H]2COCCN2CCC[NH+]2CCCCC2)o1 ZINC000161366822 432774105 /nfs/dbraw/zinc/77/41/05/432774105.db2.gz CMWOKNYNVQYJQN-QGZVFWFLSA-N 1 0 306.450 3.091 20 70 DGIDRO C[C@]1(C(=O)NCc2ccccc2OC2CCCC2)CCC[NH2+]C1 ZINC000161353341 432774445 /nfs/dbraw/zinc/77/44/45/432774445.db2.gz AAKJBBNUJQFQBK-IBGZPJMESA-N 1 0 316.445 3.014 20 70 DGIDRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC[NH+]1CCCCC1 ZINC000161377347 432776189 /nfs/dbraw/zinc/77/61/89/432776189.db2.gz UQGQBXJRHCATHM-KSFYIVLOSA-N 1 0 322.518 3.293 20 70 DGIDRO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000161391951 432776213 /nfs/dbraw/zinc/77/62/13/432776213.db2.gz SGULIFACVSSKRX-ZBFHGGJFSA-N 1 0 308.853 3.265 20 70 DGIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1C=CCCC1 ZINC000161394650 432776901 /nfs/dbraw/zinc/77/69/01/432776901.db2.gz XEVPCIJGPOKZHV-ZWKOTPCHSA-N 1 0 313.445 3.231 20 70 DGIDRO C[C@@H](CC(=O)N(C)Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC000161415229 432777413 /nfs/dbraw/zinc/77/74/13/432777413.db2.gz TUTRHMWDWAQOLB-GOEBONIOSA-N 1 0 314.429 3.417 20 70 DGIDRO C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H](c2ccsc2)O1 ZINC000161410663 432778296 /nfs/dbraw/zinc/77/82/96/432778296.db2.gz VEZPANZNUZHTKI-NVXWUHKLSA-N 1 0 308.491 3.386 20 70 DGIDRO OC[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000161411570 432778613 /nfs/dbraw/zinc/77/86/13/432778613.db2.gz LFRBGCYEKWFPGA-GOSISDBHSA-N 1 0 316.489 3.149 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000160527786 432726935 /nfs/dbraw/zinc/72/69/35/432726935.db2.gz LCCQHSABNIFMNA-FZKQIMNGSA-N 1 0 310.445 3.131 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)on1 ZINC000160547760 432727564 /nfs/dbraw/zinc/72/75/64/432727564.db2.gz WMTVEKHJRRBPCT-BFHYXJOUSA-N 1 0 307.438 3.038 20 70 DGIDRO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160567328 432729032 /nfs/dbraw/zinc/72/90/32/432729032.db2.gz BXFVLYLZOAPUSV-RDJZCZTQSA-N 1 0 304.409 3.049 20 70 DGIDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160630277 432732343 /nfs/dbraw/zinc/73/23/43/432732343.db2.gz BISKPIBKHJMZMQ-CQSZACIVSA-N 1 0 316.367 3.350 20 70 DGIDRO c1c[nH]c([C@H]2CCCN2Cc2noc(-c3ccsc3)n2)c1 ZINC000160673554 432736346 /nfs/dbraw/zinc/73/63/46/432736346.db2.gz GEWNWNGORRGPSJ-CYBMUJFWSA-N 1 0 300.387 3.463 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000160801810 432742477 /nfs/dbraw/zinc/74/24/77/432742477.db2.gz UHAXTSPPRQTQEY-NWDGAFQWSA-N 1 0 300.324 3.247 20 70 DGIDRO Brc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159677547 292798112 /nfs/dbraw/zinc/79/81/12/292798112.db2.gz FFDIMQCYZOCLPU-ZNMIVQPWSA-N 1 0 322.246 3.496 20 70 DGIDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C)cc1OC ZINC000160213587 292810237 /nfs/dbraw/zinc/81/02/37/292810237.db2.gz BLFDCQZVSWORBY-CYBMUJFWSA-N 1 0 317.433 3.377 20 70 DGIDRO CC[C@@H](COC)[NH2+]C[C@@H](C)Oc1ccccc1Br ZINC000160395874 292813291 /nfs/dbraw/zinc/81/32/91/292813291.db2.gz QDCRLRRYMOYIJH-NEPJUHHUSA-N 1 0 316.239 3.231 20 70 DGIDRO CC[C@H](COC)[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000160396236 292813427 /nfs/dbraw/zinc/81/34/27/292813427.db2.gz QDCRLRRYMOYIJH-NWDGAFQWSA-N 1 0 316.239 3.231 20 70 DGIDRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC(=O)NC(C)C ZINC000160992127 292826406 /nfs/dbraw/zinc/82/64/06/292826406.db2.gz ZBPQHSHGXNFZAQ-ZDUSSCGKSA-N 1 0 314.882 3.325 20 70 DGIDRO COC[C@H](C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161155380 292829254 /nfs/dbraw/zinc/82/92/54/292829254.db2.gz OITYMFXRWLKGRJ-WFASDCNBSA-N 1 0 314.832 3.068 20 70 DGIDRO COc1cc(C[NH2+][C@H](C)CC(F)(F)F)cc(OC)c1OC ZINC000160665008 533900881 /nfs/dbraw/zinc/90/08/81/533900881.db2.gz NUDGJSDIEZMPDF-SECBINFHSA-N 1 0 307.312 3.143 20 70 DGIDRO CCC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(OC)cc1 ZINC000160337340 521173072 /nfs/dbraw/zinc/17/30/72/521173072.db2.gz JZDHKADPKMTSNK-WBVHZDCISA-N 1 0 314.433 3.041 20 70 DGIDRO CCSc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160406669 521780821 /nfs/dbraw/zinc/78/08/21/521780821.db2.gz FQIRPANBIZHFTO-OCCSQVGLSA-N 1 0 316.474 3.364 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000160285407 525641573 /nfs/dbraw/zinc/64/15/73/525641573.db2.gz VKCBRHAIRJQDSM-GDBMZVCRSA-N 1 0 311.491 3.486 20 70 DGIDRO CS[C@@H](C)CC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000159599023 525788924 /nfs/dbraw/zinc/78/89/24/525788924.db2.gz HMRMHJFRLLWGKT-HNNXBMFYSA-N 1 0 320.502 3.217 20 70 DGIDRO Fc1cc(Cl)cc(C[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000160822313 526300186 /nfs/dbraw/zinc/30/01/86/526300186.db2.gz JPIYRIUOORHVES-OAHLLOKOSA-N 1 0 301.789 3.154 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(CC(C)C)cc1)CC2 ZINC000160299633 527196248 /nfs/dbraw/zinc/19/62/48/527196248.db2.gz GTNBZCJWRDIWNM-KDOFPFPSSA-N 1 0 312.461 3.451 20 70 DGIDRO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000159433990 546053704 /nfs/dbraw/zinc/05/37/04/546053704.db2.gz SDKYRRGXAQVVIM-ABAIWWIYSA-N 1 0 302.349 3.101 20 70 DGIDRO Cc1nccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1Cl ZINC000159594262 546055249 /nfs/dbraw/zinc/05/52/49/546055249.db2.gz UJYZZSUHPJHQGC-RYUDHWBXSA-N 1 0 324.856 3.285 20 70 DGIDRO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)on1 ZINC000159606777 546055448 /nfs/dbraw/zinc/05/54/48/546055448.db2.gz QSBVUUYVHGNBEM-STQMWFEESA-N 1 0 305.422 3.175 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000160772730 546063027 /nfs/dbraw/zinc/06/30/27/546063027.db2.gz NISRYGMWIVEZKM-KBPBESRZSA-N 1 0 309.413 3.112 20 70 DGIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cccc(-n2cnnn2)c1 ZINC000160956900 546063734 /nfs/dbraw/zinc/06/37/34/546063734.db2.gz ZLCSIOWHPLNOCC-YOEHRIQHSA-N 1 0 319.412 3.043 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2Nc2ccccc2)C1 ZINC000160964658 546064005 /nfs/dbraw/zinc/06/40/05/546064005.db2.gz NEDHXDDTIAUQHK-GDBMZVCRSA-N 1 0 309.413 3.430 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000161133703 546065620 /nfs/dbraw/zinc/06/56/20/546065620.db2.gz DNZDAQPGCAIQLO-RYUDHWBXSA-N 1 0 302.349 3.085 20 70 DGIDRO COC[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000161169982 546065632 /nfs/dbraw/zinc/06/56/32/546065632.db2.gz HPUMJQARMGDOMG-AWEZNQCLSA-N 1 0 303.324 3.142 20 70 DGIDRO Cc1ccccc1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000217358793 627055392 /nfs/dbraw/zinc/05/53/92/627055392.db2.gz OZRXZNCUIZXGPD-UHFFFAOYSA-N 1 0 322.452 3.388 20 70 DGIDRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000160106868 282090772 /nfs/dbraw/zinc/09/07/72/282090772.db2.gz DHVRGKWTMUEBIU-MRXNPFEDSA-N 1 0 323.444 3.330 20 70 DGIDRO CC[C@H](C)C[N@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000161047922 529650944 /nfs/dbraw/zinc/65/09/44/529650944.db2.gz UNEVNQQNXVQGQR-LBPRGKRZSA-N 1 0 316.401 3.115 20 70 DGIDRO CN(CCC[NH+]1CCCCC1)Cc1nc(C(F)(F)F)cs1 ZINC000161358092 282416928 /nfs/dbraw/zinc/41/69/28/282416928.db2.gz RAAFLGGPZRTRPF-UHFFFAOYSA-N 1 0 321.412 3.470 20 70 DGIDRO CS[C@H]1CCC[C@@H](NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000159572806 186127771 /nfs/dbraw/zinc/12/77/71/186127771.db2.gz TVPHYJMYTSMDGJ-UKMLZYKCSA-N 1 0 306.475 3.113 20 70 DGIDRO COc1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1SC ZINC000159669914 186134367 /nfs/dbraw/zinc/13/43/67/186134367.db2.gz UOHLRKSZHMCCHL-COXVUDFISA-N 1 0 319.470 3.464 20 70 DGIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000159601476 284320148 /nfs/dbraw/zinc/32/01/48/284320148.db2.gz XOBRBCRYFUDPHH-JQFCIGGWSA-N 1 0 312.413 3.065 20 70 DGIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000159601744 284320331 /nfs/dbraw/zinc/32/03/31/284320331.db2.gz XOBRBCRYFUDPHH-COXVUDFISA-N 1 0 312.413 3.065 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000161224089 197476721 /nfs/dbraw/zinc/47/67/21/197476721.db2.gz VLWAKGDYMSGTKX-KRWDZBQOSA-N 1 0 317.477 3.434 20 70 DGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)cn1 ZINC000160099069 197385077 /nfs/dbraw/zinc/38/50/77/197385077.db2.gz QFFULQGKXJOUGX-CQSZACIVSA-N 1 0 302.422 3.497 20 70 DGIDRO CC(C)([NH3+])CNC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000160089630 197384579 /nfs/dbraw/zinc/38/45/79/197384579.db2.gz WZDLDOYYDMYWSL-UHFFFAOYSA-N 1 0 314.454 3.446 20 70 DGIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(N(C)C)cc1F ZINC000160082562 197384191 /nfs/dbraw/zinc/38/41/91/197384191.db2.gz BDUSQVIMKFBSOV-CQSZACIVSA-N 1 0 323.456 3.132 20 70 DGIDRO COc1cc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc(OC)c1OC ZINC000159967517 197376871 /nfs/dbraw/zinc/37/68/71/197376871.db2.gz MLEJRTCADIWRFP-OCCSQVGLSA-N 1 0 323.433 3.321 20 70 DGIDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000159955586 197376276 /nfs/dbraw/zinc/37/62/76/197376276.db2.gz DCXVBSSKCZPVED-HIFRSBDPSA-N 1 0 307.434 3.182 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000159934479 197374738 /nfs/dbraw/zinc/37/47/38/197374738.db2.gz DNPWYPZBVWTJQY-HUUCEWRRSA-N 1 0 308.491 3.395 20 70 DGIDRO CC(C)(C(=O)N1CCC([NH2+]CC2CC2)CC1)c1cccs1 ZINC000159843064 197368273 /nfs/dbraw/zinc/36/82/73/197368273.db2.gz XAXCWFHBDNBSEE-UHFFFAOYSA-N 1 0 306.475 3.016 20 70 DGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1cncc(F)c1 ZINC000159826494 197367559 /nfs/dbraw/zinc/36/75/59/197367559.db2.gz RNRZIINIOHOCLA-LSDHHAIUSA-N 1 0 313.420 3.318 20 70 DGIDRO Cc1ccc(-c2cc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)on2)cc1 ZINC000159817752 197366241 /nfs/dbraw/zinc/36/62/41/197366241.db2.gz FVWOQEKHOPGULC-QAPCUYQASA-N 1 0 300.402 3.243 20 70 DGIDRO CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159511808 197359956 /nfs/dbraw/zinc/35/99/56/197359956.db2.gz QZKBVVVECSPTNI-WBAXXEDZSA-N 1 0 317.429 3.141 20 70 DGIDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000159459860 197355329 /nfs/dbraw/zinc/35/53/29/197355329.db2.gz LNNWJEMEZKKCLO-MAZHCROVSA-N 1 0 307.821 3.396 20 70 DGIDRO Cc1cc(C)cc(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000159484966 197356819 /nfs/dbraw/zinc/35/68/19/197356819.db2.gz CIYSOBWXYCOEMW-RTBURBONSA-N 1 0 314.473 3.179 20 70 DGIDRO Fc1ccccc1-c1cnc(CN2CC[NH+](CC3CC3)CC2)o1 ZINC000159404795 197351735 /nfs/dbraw/zinc/35/17/35/197351735.db2.gz RZHBRKYYBXIOJA-UHFFFAOYSA-N 1 0 315.392 3.008 20 70 DGIDRO Cc1nc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)cs1 ZINC000159381208 197349862 /nfs/dbraw/zinc/34/98/62/197349862.db2.gz VUSXDRRXGHVWQW-UHFFFAOYSA-N 1 0 303.475 3.452 20 70 DGIDRO [NH3+]Cc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000159576007 400730192 /nfs/dbraw/zinc/73/01/92/400730192.db2.gz LNTPTEPIRFICFB-UHFFFAOYSA-N 1 0 300.427 3.016 20 70 DGIDRO CC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(F)cc1 ZINC000160835877 400736240 /nfs/dbraw/zinc/73/62/40/400736240.db2.gz QQVOMPDAUARSPW-SFHVURJKSA-N 1 0 314.404 3.225 20 70 DGIDRO COc1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)CCCO2 ZINC000161014771 286429219 /nfs/dbraw/zinc/42/92/19/286429219.db2.gz BPWFHSPWWVGRBF-RVKKMQEKSA-N 1 0 318.461 3.371 20 70 DGIDRO COc1ccc2ccccc2c1C[NH2+]C[C@@](C)(O)CSC ZINC000217860050 165378161 /nfs/dbraw/zinc/37/81/61/165378161.db2.gz VAXZFZJQAHWCCG-QGZVFWFLSA-N 1 0 305.443 3.052 20 70 DGIDRO C[C@H](C[NH2+][C@H](C)c1cscn1)CN(C)C(=O)OC(C)(C)C ZINC000218247817 263835857 /nfs/dbraw/zinc/83/58/57/263835857.db2.gz ANRSLISSWPHIAZ-VXGBXAGGSA-N 1 0 313.467 3.297 20 70 DGIDRO Brc1ccccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000217266527 432654303 /nfs/dbraw/zinc/65/43/03/432654303.db2.gz RFDDUWFEVOWNJO-OAHLLOKOSA-N 1 0 309.251 3.025 20 70 DGIDRO C[C@@H](N[C@H](CNC(=O)OC(C)(C)C)C1CC1)c1cscn1 ZINC000218258364 432657657 /nfs/dbraw/zinc/65/76/57/432657657.db2.gz JGUWHWXSEFVNMP-ZYHUDNBSSA-N 1 0 311.451 3.097 20 70 DGIDRO Cc1ccc([C@@H](C)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000159660335 432692428 /nfs/dbraw/zinc/69/24/28/432692428.db2.gz ZACSTFIDAJFQAY-CVEARBPZSA-N 1 0 302.462 3.241 20 70 DGIDRO Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)N(C)C)c2)n1 ZINC000159737109 432693806 /nfs/dbraw/zinc/69/38/06/432693806.db2.gz ZSOKHFJLWJLPAN-LJQANCHMSA-N 1 0 323.440 3.429 20 70 DGIDRO COc1ccccc1-c1nnc(C[N@H+](C)CC2CCCC2)o1 ZINC000159789176 432694932 /nfs/dbraw/zinc/69/49/32/432694932.db2.gz MOXHNUJDMJVDMU-UHFFFAOYSA-N 1 0 301.390 3.367 20 70 DGIDRO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H]3c3cccc(C)n3)cc12 ZINC000159843835 432698044 /nfs/dbraw/zinc/69/80/44/432698044.db2.gz RBSMSGOTRFQMGI-GOSISDBHSA-N 1 0 321.428 3.317 20 70 DGIDRO CC[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000159853934 432699367 /nfs/dbraw/zinc/69/93/67/432699367.db2.gz NMVXWXSXCYJKQB-LPHOPBHVSA-N 1 0 313.445 3.394 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)NC(c1cccs1)c1cccs1 ZINC000159927755 432701183 /nfs/dbraw/zinc/70/11/83/432701183.db2.gz FETHWKTWNGZFDT-NSHDSACASA-N 1 0 306.456 3.157 20 70 DGIDRO C[C@H]1C[C@@H](NC(=O)N(C)CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000159915069 432701704 /nfs/dbraw/zinc/70/17/04/432701704.db2.gz BKKGCLQSNDLCSW-MAUKXSAKSA-N 1 0 315.461 3.091 20 70 DGIDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](CC)[C@@H]2CCOC2)cc1 ZINC000160115802 432706621 /nfs/dbraw/zinc/70/66/21/432706621.db2.gz IZQWUOSCLGOBRB-QZTJIDSGSA-N 1 0 318.461 3.121 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000160178651 432710897 /nfs/dbraw/zinc/71/08/97/432710897.db2.gz HHPPSUDUHORVMF-HZPDHXFCSA-N 1 0 311.491 3.164 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000160214226 432711188 /nfs/dbraw/zinc/71/11/88/432711188.db2.gz ZQDODXBOOKVBIM-VXGBXAGGSA-N 1 0 319.417 3.361 20 70 DGIDRO CC1(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCC1 ZINC000160325844 432714344 /nfs/dbraw/zinc/71/43/44/432714344.db2.gz DAKANJRGPNIBIK-AWEZNQCLSA-N 1 0 321.490 3.202 20 70 DGIDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000160307556 432714575 /nfs/dbraw/zinc/71/45/75/432714575.db2.gz PRDALOYPDGOONY-AWEZNQCLSA-N 1 0 304.390 3.004 20 70 DGIDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccccc1OC(F)F ZINC000160329323 432715640 /nfs/dbraw/zinc/71/56/40/432715640.db2.gz QABFRJVCYVDKEG-WCQYABFASA-N 1 0 319.417 3.443 20 70 DGIDRO COc1cc([C@@H](C)[NH2+][C@H](CCO)CSC)ccc1SC ZINC000160334449 432715838 /nfs/dbraw/zinc/71/58/38/432715838.db2.gz MLBFNOMOSQOSJY-DGCLKSJQSA-N 1 0 315.504 3.182 20 70 DGIDRO C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1cnn(C)c1 ZINC000160535356 432726546 /nfs/dbraw/zinc/72/65/46/432726546.db2.gz OEAWEGVNAKXHDJ-HNNXBMFYSA-N 1 0 313.449 3.046 20 70 DGIDRO CCc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(-c2ccncc2)n1 ZINC000160366873 432717368 /nfs/dbraw/zinc/71/73/68/432717368.db2.gz MLKZQXJJPIHBMP-IRXDYDNUSA-N 1 0 324.428 3.471 20 70 DGIDRO COc1ccccc1C[N@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000160414017 432719194 /nfs/dbraw/zinc/71/91/94/432719194.db2.gz AGNCBRMNKTXOKC-UHFFFAOYSA-N 1 0 322.412 3.216 20 70 DGIDRO COC(C[N@H+](Cc1cccc(Br)c1)C1CC1)OC ZINC000160419004 432719247 /nfs/dbraw/zinc/71/92/47/432719247.db2.gz QZLSAKCKMAECBN-UHFFFAOYSA-N 1 0 314.223 3.032 20 70 DGIDRO COc1ccccc1C[N@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000160416665 432719958 /nfs/dbraw/zinc/71/99/58/432719958.db2.gz HVBIOESTHUYYTB-UHFFFAOYSA-N 1 0 322.412 3.123 20 70 DGIDRO COc1cc2c(c(C[NH2+][C@H]3CCOC(C)(C)C3)c1)O[C@@H](C)C2 ZINC000160439240 432720381 /nfs/dbraw/zinc/72/03/81/432720381.db2.gz HVGFWUYDCDTKRP-WFASDCNBSA-N 1 0 305.418 3.066 20 70 DGIDRO COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000160452531 432721612 /nfs/dbraw/zinc/72/16/12/432721612.db2.gz ZPKSLZOJBTYWOB-HNNXBMFYSA-N 1 0 315.417 3.133 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000160463612 432722563 /nfs/dbraw/zinc/72/25/63/432722563.db2.gz DXRJAZUQOPVZIE-UHFFFAOYSA-N 1 0 317.458 3.366 20 70 DGIDRO COCCCOc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000160465677 432723465 /nfs/dbraw/zinc/72/34/65/432723465.db2.gz ZOEPGVFIIIEVPX-INIZCTEOSA-N 1 0 307.434 3.149 20 70 DGIDRO C[C@@H](CC(=O)Nc1ccccc1OCC1CC1)C1CC[NH2+]CC1 ZINC000160527066 432724729 /nfs/dbraw/zinc/72/47/29/432724729.db2.gz LTGBCNVSADSFGO-AWEZNQCLSA-N 1 0 316.445 3.440 20 70 DGIDRO CS[C@H](C)CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000159441206 432683653 /nfs/dbraw/zinc/68/36/53/432683653.db2.gz UMESHUMYLUWEDR-RBSFLKMASA-N 1 0 300.512 3.002 20 70 DGIDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159495684 432685515 /nfs/dbraw/zinc/68/55/15/432685515.db2.gz DNZXOKNILLDNRG-AWEZNQCLSA-N 1 0 300.402 3.404 20 70 DGIDRO C[C@H](CC(=O)NCC(C)(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000159487836 432685746 /nfs/dbraw/zinc/68/57/46/432685746.db2.gz DHNZSKKWEXXSSJ-SJLPKXTDSA-N 1 0 316.489 3.397 20 70 DGIDRO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000159572019 432687641 /nfs/dbraw/zinc/68/76/41/432687641.db2.gz YJHDKMJFGFRAIR-VQIMIIECSA-N 1 0 315.461 3.122 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(COC2CCCC2)cc1 ZINC000159603775 432688870 /nfs/dbraw/zinc/68/88/70/432688870.db2.gz RPFIDLKNYCDGJQ-INIZCTEOSA-N 1 0 302.418 3.226 20 70 DGIDRO COc1ccc(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159643773 432690833 /nfs/dbraw/zinc/69/08/33/432690833.db2.gz GSVAAWBFCUHRRA-BMFZPTHFSA-N 1 0 307.821 3.396 20 70 DGIDRO C[C@@H]1CN(Cc2ncc(-c3ccccc3F)o2)CC(C)(C)O1 ZINC000159665421 432691442 /nfs/dbraw/zinc/69/14/42/432691442.db2.gz MNSVPYXUBGWOQS-GFCCVEGCSA-N 1 0 304.365 3.480 20 70 DGIDRO CCn1cc([C@H](C)[NH2+]C[C@H](C)N(C)Cc2ccccc2)cn1 ZINC000160872938 432746966 /nfs/dbraw/zinc/74/69/66/432746966.db2.gz SJJBMQBSCBJMSA-HOTGVXAUSA-N 1 0 300.450 3.074 20 70 DGIDRO CC[N@H+](Cc1cnc2ccccn12)[C@@H](COC)Cc1ccccc1 ZINC000160927052 432749957 /nfs/dbraw/zinc/74/99/57/432749957.db2.gz HHXUCMRMXHPKDU-GOSISDBHSA-N 1 0 323.440 3.414 20 70 DGIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160985976 432753114 /nfs/dbraw/zinc/75/31/14/432753114.db2.gz FOQNPOVOGZQWEU-KWQFWETISA-N 1 0 321.273 3.251 20 70 DGIDRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000161049928 432756070 /nfs/dbraw/zinc/75/60/70/432756070.db2.gz WYPKAUMNHSJAFI-SUMWQHHRSA-N 1 0 300.377 3.054 20 70 DGIDRO COc1cccc(-c2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)cc2)c1 ZINC000161081060 432757536 /nfs/dbraw/zinc/75/75/36/432757536.db2.gz NNGHIAMKNMVSFH-GOSISDBHSA-N 1 0 324.424 3.121 20 70 DGIDRO COc1cccc(-c2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000161078078 432757708 /nfs/dbraw/zinc/75/77/08/432757708.db2.gz MYFFFYSXJGYQSJ-QZTJIDSGSA-N 1 0 324.424 3.106 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000161075975 432757746 /nfs/dbraw/zinc/75/77/46/432757746.db2.gz VKPJCXXTBFXFNK-PMACEKPBSA-N 1 0 322.452 3.271 20 70 DGIDRO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000161073624 432758145 /nfs/dbraw/zinc/75/81/45/432758145.db2.gz UITMCAUYKLKACN-FAXKSRBJSA-N 1 0 324.472 3.266 20 70 DGIDRO CCC(CC)c1cc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)on1 ZINC000161111695 432758889 /nfs/dbraw/zinc/75/88/89/432758889.db2.gz BWVNDNYEAUFIOJ-CYBMUJFWSA-N 1 0 321.465 3.220 20 70 DGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)[C@@H]2CCOC2)c1 ZINC000161114675 432759529 /nfs/dbraw/zinc/75/95/29/432759529.db2.gz PZJKOBWQLVZFQW-OLMNPRSZSA-N 1 0 318.461 3.120 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](CC)Oc2cccc(C)c2)CC1 ZINC000161112468 432760155 /nfs/dbraw/zinc/76/01/55/432760155.db2.gz YLZUOCCHJKBNFH-GOSISDBHSA-N 1 0 318.461 3.001 20 70 DGIDRO CCN(C(=O)CCC[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000161117311 432760905 /nfs/dbraw/zinc/76/09/05/432760905.db2.gz MAURVQURPBXMDC-LLVKDONJSA-N 1 0 302.340 3.354 20 70 DGIDRO COc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cc1F ZINC000161121203 432761387 /nfs/dbraw/zinc/76/13/87/432761387.db2.gz MEDFFQOYRVLNCA-LBPRGKRZSA-N 1 0 317.360 3.456 20 70 DGIDRO C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000161156031 432763893 /nfs/dbraw/zinc/76/38/93/432763893.db2.gz YCHCAIFRAHTJIL-WCQYABFASA-N 1 0 303.324 3.142 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000161183070 432765125 /nfs/dbraw/zinc/76/51/25/432765125.db2.gz NJOFLSZPPYEHKL-RHSMWYFYSA-N 1 0 306.475 3.080 20 70 DGIDRO c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161251488 432767690 /nfs/dbraw/zinc/76/76/90/432767690.db2.gz FWEMXONNWANWPW-MRXNPFEDSA-N 1 0 301.430 3.382 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161238903 432767772 /nfs/dbraw/zinc/76/77/72/432767772.db2.gz YSISCONYDWHUQV-UKRRQHHQSA-N 1 0 306.425 3.295 20 70 DGIDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)CN1C1CC1 ZINC000161267180 432770293 /nfs/dbraw/zinc/77/02/93/432770293.db2.gz UYYJIBIUNAESQS-DXCKQFNASA-N 1 0 304.409 3.254 20 70 DGIDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000161487399 432781229 /nfs/dbraw/zinc/78/12/29/432781229.db2.gz AFMBOQMVJJNGHU-GFCCVEGCSA-N 1 0 316.474 3.258 20 70 DGIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000161509571 432782903 /nfs/dbraw/zinc/78/29/03/432782903.db2.gz NMHPBYOYECRCIT-HNNXBMFYSA-N 1 0 324.490 3.439 20 70 DGIDRO O=C(Nc1cccc(F)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160633690 432731490 /nfs/dbraw/zinc/73/14/90/432731490.db2.gz BXDNBHZGCAICIF-OAHLLOKOSA-N 1 0 313.376 3.071 20 70 DGIDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CCOCC1 ZINC000160635824 432732009 /nfs/dbraw/zinc/73/20/09/432732009.db2.gz VUSGCSZBHDBAFD-CYBMUJFWSA-N 1 0 308.491 3.359 20 70 DGIDRO Cc1ccc(C)c([C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)c1 ZINC000160665472 432734300 /nfs/dbraw/zinc/73/43/00/432734300.db2.gz JCKZZDXIAKTFRJ-GOSISDBHSA-N 1 0 300.446 3.309 20 70 DGIDRO Cc1csc(CCCC[NH2+][C@@H]2CCCc3c2cnn3C)n1 ZINC000160718140 432737822 /nfs/dbraw/zinc/73/78/22/432737822.db2.gz CBPMZTFJNCNFIJ-CQSZACIVSA-N 1 0 304.463 3.175 20 70 DGIDRO CC[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000160805974 432741984 /nfs/dbraw/zinc/74/19/84/432741984.db2.gz UULHNIORPSKHBH-XJKSGUPXSA-N 1 0 324.852 3.463 20 70 DGIDRO CC[C@]1(C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000160843026 432745374 /nfs/dbraw/zinc/74/53/74/432745374.db2.gz PMWJSKHOIQWWCH-IEBWSBKVSA-N 1 0 300.446 3.203 20 70 DGIDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160865927 432745460 /nfs/dbraw/zinc/74/54/60/432745460.db2.gz NMPUKXRVNVKSDG-BFYDXBDKSA-N 1 0 307.482 3.223 20 70 DGIDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)N(C)Cc2ccccc2)c(C)n1 ZINC000160862480 432745959 /nfs/dbraw/zinc/74/59/59/432745959.db2.gz XTBUQTUNRUVXAK-HUUCEWRRSA-N 1 0 312.461 3.265 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC000161499578 432783456 /nfs/dbraw/zinc/78/34/56/432783456.db2.gz KYJRDXUFXUGLPZ-UHFFFAOYSA-N 1 0 323.868 3.441 20 70 DGIDRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1cccc(F)c1F ZINC000159698144 292798267 /nfs/dbraw/zinc/79/82/67/292798267.db2.gz WBGPQRDQCPXIGM-GFCCVEGCSA-N 1 0 313.392 3.057 20 70 DGIDRO C[C@H](CCc1ccccc1)[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000159754534 292799484 /nfs/dbraw/zinc/79/94/84/292799484.db2.gz MVEVSDBDYHCSBV-CRAIPNDOSA-N 1 0 302.462 3.422 20 70 DGIDRO C[C@@H](CNC(=O)CCc1ccc(F)cc1F)C[NH+]1CCCCC1 ZINC000159780820 292800249 /nfs/dbraw/zinc/80/02/49/292800249.db2.gz TWOZMTWNMXPVTF-AWEZNQCLSA-N 1 0 324.415 3.136 20 70 DGIDRO CC(C)CSCCC[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000160028203 292805772 /nfs/dbraw/zinc/80/57/72/292805772.db2.gz PBRUHLUZOIVNBZ-KRWDZBQOSA-N 1 0 320.502 3.375 20 70 DGIDRO C[C@@H](Cc1cccs1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160413255 292814281 /nfs/dbraw/zinc/81/42/81/292814281.db2.gz JSMWMGWOJWAIHZ-AWEZNQCLSA-N 1 0 323.506 3.195 20 70 DGIDRO C[C@@H]1CCC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160508612 292816344 /nfs/dbraw/zinc/81/63/44/292816344.db2.gz OVVDCPJLHLOBJN-WBVHZDCISA-N 1 0 309.498 3.329 20 70 DGIDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc3c(c1)OCO3)CC2 ZINC000161121695 292828995 /nfs/dbraw/zinc/82/89/95/292828995.db2.gz XREUVTVKTHPOOW-KRWDZBQOSA-N 1 0 311.381 3.244 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000161154724 292829222 /nfs/dbraw/zinc/82/92/22/292829222.db2.gz HLZZXSVEZQIVNF-INIZCTEOSA-N 1 0 322.408 3.339 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC2(c3ccc(F)cc3)CCC2)CC1 ZINC000161398054 519644493 /nfs/dbraw/zinc/64/44/93/519644493.db2.gz KYWMSNNLOYMGAB-UHFFFAOYSA-N 1 0 318.436 3.284 20 70 DGIDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc2c(c1)OCCO2 ZINC000160512684 522632178 /nfs/dbraw/zinc/63/21/78/522632178.db2.gz YLQHJKDFACAJCW-PMPSAXMXSA-N 1 0 305.418 3.050 20 70 DGIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160397255 524086939 /nfs/dbraw/zinc/08/69/39/524086939.db2.gz VKAPNXVZHVGLCP-INIZCTEOSA-N 1 0 307.482 3.084 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000160316648 525701903 /nfs/dbraw/zinc/70/19/03/525701903.db2.gz KBLZFSRDIHVYRE-MFKMUULPSA-N 1 0 307.381 3.470 20 70 DGIDRO FC(F)(F)CN1CC[C@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000159817607 527668761 /nfs/dbraw/zinc/66/87/61/527668761.db2.gz ICZVXOAOACSMCE-GFCCVEGCSA-N 1 0 312.335 3.407 20 70 DGIDRO CCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2sccc2C)CC1 ZINC000159791080 528201130 /nfs/dbraw/zinc/20/11/30/528201130.db2.gz IRNBPEHQADZMLQ-CABCVRRESA-N 1 0 306.475 3.151 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)CCSc2ccc(C)cc2)CC1 ZINC000161034416 528280857 /nfs/dbraw/zinc/28/08/57/528280857.db2.gz VINXNLOYRZIQTD-UHFFFAOYSA-N 1 0 320.502 3.325 20 70 DGIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCCn2cccc2)C1 ZINC000159489040 529296391 /nfs/dbraw/zinc/29/63/91/529296391.db2.gz SEPFLMOJTVWTDJ-QGZVFWFLSA-N 1 0 319.493 3.285 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000159820943 546056552 /nfs/dbraw/zinc/05/65/52/546056552.db2.gz KIAAQTRSNVQFGD-WBVHZDCISA-N 1 0 300.446 3.437 20 70 DGIDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cccc(F)c1 ZINC000160150533 546057880 /nfs/dbraw/zinc/05/78/80/546057880.db2.gz RPLTZMAJQZRLQX-CXAGYDPISA-N 1 0 304.409 3.410 20 70 DGIDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160329593 546060228 /nfs/dbraw/zinc/06/02/28/546060228.db2.gz MQYXYADAUSNZAH-HNNXBMFYSA-N 1 0 323.234 3.248 20 70 DGIDRO CCN(C)CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160323308 546060301 /nfs/dbraw/zinc/06/03/01/546060301.db2.gz YLVNLNIDFQAUGH-UHFFFAOYSA-N 1 0 322.250 3.039 20 70 DGIDRO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160823168 546062581 /nfs/dbraw/zinc/06/25/81/546062581.db2.gz SZMHHECHLYAMPA-DEYYWGMASA-N 1 0 318.461 3.230 20 70 DGIDRO CCCN(C(=O)c1cc2ccc(F)cc2s1)[C@@H]1CC[NH2+]C1 ZINC000161202561 546065612 /nfs/dbraw/zinc/06/56/12/546065612.db2.gz YOYSETNZUYIRLY-CYBMUJFWSA-N 1 0 306.406 3.255 20 70 DGIDRO C[C@H](NC(=O)c1cc2ccc(F)cc2s1)[C@H]1CCC[NH2+]C1 ZINC000161199758 546066259 /nfs/dbraw/zinc/06/62/59/546066259.db2.gz SXKNWFKXJQVZPR-JQWIXIFHSA-N 1 0 306.406 3.158 20 70 DGIDRO Cc1nn(C)cc1C[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000161304694 546066969 /nfs/dbraw/zinc/06/69/69/546066969.db2.gz YYVATAWSLPCERP-UHFFFAOYSA-N 1 0 302.809 3.196 20 70 DGIDRO C[C@@H]1C[C@@H]1[C@H](NC(=O)CC1([NH3+])CCC1)c1ccc(Cl)cc1 ZINC000161295842 546067068 /nfs/dbraw/zinc/06/70/68/546067068.db2.gz LEZRBRYTJCRJQU-DIOULYMOSA-N 1 0 306.837 3.425 20 70 DGIDRO COc1ccc(CCCCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161277844 546067393 /nfs/dbraw/zinc/06/73/93/546067393.db2.gz YUILIYMGALFGRJ-IAGOWNOFSA-N 1 0 318.461 3.184 20 70 DGIDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000216641269 575273515 /nfs/dbraw/zinc/27/35/15/575273515.db2.gz MMMJWLJSGUNUQO-GJZGRUSLSA-N 1 0 310.869 3.347 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)CC2 ZINC000160450815 282127699 /nfs/dbraw/zinc/12/76/99/282127699.db2.gz CLNAPXGFKQWBEB-ZYHUDNBSSA-N 1 0 324.350 3.271 20 70 DGIDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCSC2)nnn1-c1ccc(F)cc1 ZINC000159597635 186129794 /nfs/dbraw/zinc/12/97/94/186129794.db2.gz GAHOMQLQGZRQBI-BXUZGUMPSA-N 1 0 320.437 3.261 20 70 DGIDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000159598038 186129803 /nfs/dbraw/zinc/12/98/03/186129803.db2.gz WJBMXBIPVCISAW-JTQLQIEISA-N 1 0 318.364 3.197 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cc(C)sc2C)CC1 ZINC000159631413 186131963 /nfs/dbraw/zinc/13/19/63/186131963.db2.gz BTJOATIIAVBXRD-CYBMUJFWSA-N 1 0 309.479 3.163 20 70 DGIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(N2CCCC2=O)cc1 ZINC000159633329 186132004 /nfs/dbraw/zinc/13/20/04/186132004.db2.gz OJQQEQSCNLKJHG-UKRRQHHQSA-N 1 0 304.459 3.360 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccccc1C ZINC000159661445 186133720 /nfs/dbraw/zinc/13/37/20/186133720.db2.gz OXXFJEDNCMEUEW-OAHLLOKOSA-N 1 0 300.402 3.367 20 70 DGIDRO O=C(CCc1ccc(Cl)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159754717 186139996 /nfs/dbraw/zinc/13/99/96/186139996.db2.gz OFTXWROCRZOEIE-UHFFFAOYSA-N 1 0 320.864 3.263 20 70 DGIDRO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CCC[NH2+]C1 ZINC000160082829 284099844 /nfs/dbraw/zinc/09/98/44/284099844.db2.gz VMWNEFURPCNXNH-TVQRCGJNSA-N 1 0 313.228 3.097 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCO[C@@H](C)c2ccccc2)CC1 ZINC000161235941 197477044 /nfs/dbraw/zinc/47/70/44/197477044.db2.gz WZWGHDXKFZEKKE-MNNVXMFVSA-N 1 0 318.461 3.191 20 70 DGIDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000161178566 197472397 /nfs/dbraw/zinc/47/23/97/197472397.db2.gz JUUQNLSGTQDXGQ-CQSZACIVSA-N 1 0 316.424 3.427 20 70 DGIDRO O=C(Nc1cc(F)ccc1SCC(F)F)[C@H]1CCC[NH2+]C1 ZINC000161130559 197467338 /nfs/dbraw/zinc/46/73/38/197467338.db2.gz ABPLSVYGJGLFMF-VIFPVBQESA-N 1 0 318.364 3.121 20 70 DGIDRO Brc1ccc(C[NH2+]C[C@@H]2CCCO2)c2ncccc12 ZINC000160306606 197399387 /nfs/dbraw/zinc/39/93/87/197399387.db2.gz WRVIUTKHGKXKHG-LBPRGKRZSA-N 1 0 321.218 3.266 20 70 DGIDRO CCc1ccc([C@H](C)CC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000160279988 197397652 /nfs/dbraw/zinc/39/76/52/197397652.db2.gz NFHRPXHKGPGRMB-WBVHZDCISA-N 1 0 302.462 3.153 20 70 DGIDRO CSc1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1F ZINC000160267185 197396805 /nfs/dbraw/zinc/39/68/05/197396805.db2.gz JSPWFGKEOOMJQF-UHFFFAOYSA-N 1 0 310.438 3.009 20 70 DGIDRO C[C@H]1CCC[C@@](CNc2nnc(C(F)(F)F)s2)([NH+](C)C)C1 ZINC000160162029 197389757 /nfs/dbraw/zinc/38/97/57/197389757.db2.gz XJPAUSQSQFBLFF-JOYOIKCWSA-N 1 0 322.400 3.479 20 70 DGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cn1 ZINC000160040247 197381617 /nfs/dbraw/zinc/38/16/17/197381617.db2.gz XHYQGVOWAWUILR-CYBMUJFWSA-N 1 0 314.385 3.448 20 70 DGIDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc2c(c1)OCO2 ZINC000160114804 197387287 /nfs/dbraw/zinc/38/72/87/197387287.db2.gz FFPZPYKAQUQVBE-MEDUHNTESA-N 1 0 305.399 3.035 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000160086994 197384836 /nfs/dbraw/zinc/38/48/36/197384836.db2.gz HCINOHGQCBQMHC-KGLIPLIRSA-N 1 0 324.465 3.093 20 70 DGIDRO COCc1cc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC ZINC000159974478 197377823 /nfs/dbraw/zinc/37/78/23/197377823.db2.gz HCCHTUNVWCPENM-CJNGLKHVSA-N 1 0 307.434 3.450 20 70 DGIDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc2c(c1)OCCCO2 ZINC000159958747 197375566 /nfs/dbraw/zinc/37/55/66/197375566.db2.gz YWIBDDJSQKSDRW-UKRRQHHQSA-N 1 0 305.418 3.456 20 70 DGIDRO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000159875500 197369956 /nfs/dbraw/zinc/36/99/56/197369956.db2.gz ICWLPQKHVOWLMC-UHFFFAOYSA-N 1 0 301.434 3.186 20 70 DGIDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)c1 ZINC000159841184 197367802 /nfs/dbraw/zinc/36/78/02/197367802.db2.gz NUJRFQRYMIEARC-KDOFPFPSSA-N 1 0 316.445 3.472 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000159842317 197368002 /nfs/dbraw/zinc/36/80/02/197368002.db2.gz LKEMSKOXSVECSR-HOTGVXAUSA-N 1 0 320.502 3.398 20 70 DGIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000159845816 197368055 /nfs/dbraw/zinc/36/80/55/197368055.db2.gz OPLPYRNQAWFYOC-CYBMUJFWSA-N 1 0 309.417 3.073 20 70 DGIDRO O=C(/C=C/c1cc2ccccc2o1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159827658 197367460 /nfs/dbraw/zinc/36/74/60/197367460.db2.gz SOUPPUKKEBUJHW-BQYQJAHWSA-N 1 0 324.424 3.437 20 70 DGIDRO C[C@H](C[NH2+][C@H](C)c1cncs1)N1CCc2ccccc2C1 ZINC000159804782 197365266 /nfs/dbraw/zinc/36/52/66/197365266.db2.gz DHBPUWCGTSURGE-ZIAGYGMSSA-N 1 0 301.459 3.241 20 70 DGIDRO CC(=O)Nc1cccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000159790407 197364382 /nfs/dbraw/zinc/36/43/82/197364382.db2.gz NDMUIFUDTDZDFV-UHFFFAOYSA-N 1 0 311.429 3.343 20 70 DGIDRO FC(F)Oc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159489424 197357621 /nfs/dbraw/zinc/35/76/21/197357621.db2.gz KCRQPZLEONQRAA-ILXRZTDVSA-N 1 0 309.356 3.335 20 70 DGIDRO O=C(Nc1ccc(COCc2ccccc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000159512853 197360122 /nfs/dbraw/zinc/36/01/22/197360122.db2.gz GBRZWEIIFXVBQH-LJQANCHMSA-N 1 0 324.424 3.484 20 70 DGIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2Cc3ccccc3C2)CC1 ZINC000159503500 197358553 /nfs/dbraw/zinc/35/85/53/197358553.db2.gz HZWZTUNDKZMJAV-UHFFFAOYSA-N 1 0 300.446 3.287 20 70 DGIDRO CCc1ccc([C@H](C)CC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000159514394 400729875 /nfs/dbraw/zinc/72/98/75/400729875.db2.gz DOKJMLONLHGYJG-NVXWUHKLSA-N 1 0 302.462 3.201 20 70 DGIDRO CCc1ccc([C@@H](C)CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000159495170 400730045 /nfs/dbraw/zinc/73/00/45/400730045.db2.gz CWAUEFQNWPPWPZ-KXBFYZLASA-N 1 0 314.473 3.343 20 70 DGIDRO Cc1cccc([C@H](C)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000159514810 400730217 /nfs/dbraw/zinc/73/02/17/400730217.db2.gz NDFSOBUBGWSKGY-INIZCTEOSA-N 1 0 300.446 3.185 20 70 DGIDRO CC[C@H](CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C)cc1 ZINC000159490634 400730314 /nfs/dbraw/zinc/73/03/14/400730314.db2.gz YGJYLGOMRZKIPQ-MJGOQNOKSA-N 1 0 314.473 3.479 20 70 DGIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC000159764586 400731436 /nfs/dbraw/zinc/73/14/36/400731436.db2.gz OOZRUWXISGDPAW-VQANOXKBSA-N 1 0 300.446 3.471 20 70 DGIDRO CCc1ccc(CC(=O)NCCCC[NH+]2CCC(C)CC2)cc1 ZINC000160650230 400734645 /nfs/dbraw/zinc/73/46/45/400734645.db2.gz NPWSDLUOMZHKAS-UHFFFAOYSA-N 1 0 316.489 3.420 20 70 DGIDRO Cc1cc(NC(=O)CC[NH2+]C(C)C)ccc1OCC(F)(F)F ZINC000161118204 400739146 /nfs/dbraw/zinc/73/91/46/400739146.db2.gz VBWUZKVZWNXSRN-UHFFFAOYSA-N 1 0 318.339 3.263 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000217372693 165378304 /nfs/dbraw/zinc/37/83/04/165378304.db2.gz XHBXOQVHZGFKAV-LBPRGKRZSA-N 1 0 314.857 3.177 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000161261865 277032014 /nfs/dbraw/zinc/03/20/14/277032014.db2.gz CSMSSJSEMXLJID-DAWZGUTISA-N 1 0 300.446 3.171 20 70 DGIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCc4sccc43)CC[C@@H]21 ZINC000159380516 277067043 /nfs/dbraw/zinc/06/70/43/277067043.db2.gz IWLPYLBWULAGQS-BMFZPTHFSA-N 1 0 318.486 3.111 20 70 DGIDRO COC(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)OC ZINC000160343681 277179009 /nfs/dbraw/zinc/17/90/09/277179009.db2.gz DWPIMWNMXBTQRS-OAHLLOKOSA-N 1 0 309.456 3.376 20 70 DGIDRO C[C@H]1SCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@H]1C ZINC000159751618 432695472 /nfs/dbraw/zinc/69/54/72/432695472.db2.gz UIPQTHQTEFNOME-UONOGXRCSA-N 1 0 312.523 3.097 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000159789993 432695984 /nfs/dbraw/zinc/69/59/84/432695984.db2.gz BJROJJHFLLDOSR-KRWDZBQOSA-N 1 0 317.477 3.391 20 70 DGIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000159779494 432696106 /nfs/dbraw/zinc/69/61/06/432696106.db2.gz AGZCRHKPVCNOMI-UHFFFAOYSA-N 1 0 314.433 3.410 20 70 DGIDRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccncc1 ZINC000159916241 432701614 /nfs/dbraw/zinc/70/16/14/432701614.db2.gz MDTPWJNFQSOSSO-CVEARBPZSA-N 1 0 310.445 3.353 20 70 DGIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000159993481 432703796 /nfs/dbraw/zinc/70/37/96/432703796.db2.gz MKTNJQVPKWCDGV-LBPRGKRZSA-N 1 0 314.376 3.101 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000160068742 432704163 /nfs/dbraw/zinc/70/41/63/432704163.db2.gz WQWHFUIPJFVGNE-GJZGRUSLSA-N 1 0 308.466 3.393 20 70 DGIDRO CC[C@H](C(=O)NCc1ccccc1OCCC(C)C)[NH+](C)C ZINC000160044705 432704397 /nfs/dbraw/zinc/70/43/97/432704397.db2.gz BOLGWMBMOLMDDY-MRXNPFEDSA-N 1 0 306.450 3.068 20 70 DGIDRO CC[C@@H](COC)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000160040225 432705521 /nfs/dbraw/zinc/70/55/21/432705521.db2.gz QWBPFBJHEDKYNJ-KRWDZBQOSA-N 1 0 301.434 3.128 20 70 DGIDRO CN(Cc1ncc(-c2ccc(Cl)cc2)o1)[C@@H](C[NH3+])C1CC1 ZINC000160077677 432706261 /nfs/dbraw/zinc/70/62/61/432706261.db2.gz IVFRTYZHSDTHKP-AWEZNQCLSA-N 1 0 305.809 3.164 20 70 DGIDRO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C(C)C)C(C)C)n1 ZINC000160100270 432707156 /nfs/dbraw/zinc/70/71/56/432707156.db2.gz GVBVUOXJNGVPTG-QGZVFWFLSA-N 1 0 303.450 3.172 20 70 DGIDRO C[N@H+](CCc1cccc(OC(F)(F)F)c1)C[C@@H]1CCCOC1 ZINC000160098234 432707409 /nfs/dbraw/zinc/70/74/09/432707409.db2.gz BSXLNSNHMPMNBR-AWEZNQCLSA-N 1 0 317.351 3.486 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000160143170 432707948 /nfs/dbraw/zinc/70/79/48/432707948.db2.gz YSJUURQECZCIEP-QWHCGFSZSA-N 1 0 317.882 3.201 20 70 DGIDRO CC(C)n1cc([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)cn1 ZINC000160141176 432708903 /nfs/dbraw/zinc/70/89/03/432708903.db2.gz HVKMVXGYOQJEBF-HNNXBMFYSA-N 1 0 318.440 3.386 20 70 DGIDRO CC(C)n1cc([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)cn1 ZINC000160141021 432708939 /nfs/dbraw/zinc/70/89/39/432708939.db2.gz HVKMVXGYOQJEBF-OAHLLOKOSA-N 1 0 318.440 3.386 20 70 DGIDRO CCNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000160187762 432710340 /nfs/dbraw/zinc/71/03/40/432710340.db2.gz LDICOOYOFZDWQN-SFHVURJKSA-N 1 0 324.424 3.440 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000160187093 432710787 /nfs/dbraw/zinc/71/07/87/432710787.db2.gz QUCSLCYEYUALEG-MNOVXSKESA-N 1 0 323.380 3.350 20 70 DGIDRO Cc1nc2ccccn2c1C[N@@H+](C)CCN(C)c1ccccc1 ZINC000160244119 432712155 /nfs/dbraw/zinc/71/21/55/432712155.db2.gz KVXZFLYOGJNDTR-UHFFFAOYSA-N 1 0 308.429 3.211 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000160244446 432712224 /nfs/dbraw/zinc/71/22/24/432712224.db2.gz GKUICQGLURUWJI-MNOVXSKESA-N 1 0 305.390 3.053 20 70 DGIDRO CC[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)Oc1ccccc1F ZINC000160338915 432716318 /nfs/dbraw/zinc/71/63/18/432716318.db2.gz YODPGMGJHRKPTC-CJNGLKHVSA-N 1 0 317.408 3.384 20 70 DGIDRO Cc1cc(C[N@H+](C)Cc2cccc(F)c2)ccc1-n1cncn1 ZINC000160457217 432721345 /nfs/dbraw/zinc/72/13/45/432721345.db2.gz JCGULPFIFPVHPY-UHFFFAOYSA-N 1 0 310.376 3.347 20 70 DGIDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160487385 432722710 /nfs/dbraw/zinc/72/27/10/432722710.db2.gz ADZPJUZMEXEOBS-NXHRZFHOSA-N 1 0 302.462 3.054 20 70 DGIDRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160470659 432723510 /nfs/dbraw/zinc/72/35/10/432723510.db2.gz GJSFTBXOBNOSLE-ZENOOKHLSA-N 1 0 324.852 3.198 20 70 DGIDRO C[C@@H]1C[C@H](NCc2ccc(N3CCCCCC3)nc2)CC[N@@H+]1C ZINC000160519251 432724612 /nfs/dbraw/zinc/72/46/12/432724612.db2.gz NGRDUHNHEUSORH-SJLPKXTDSA-N 1 0 316.493 3.034 20 70 DGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000160515398 432724924 /nfs/dbraw/zinc/72/49/24/432724924.db2.gz KERJNWJKWQBRNB-KBPBESRZSA-N 1 0 308.491 3.389 20 70 DGIDRO C[NH2+][C@@H]1CCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000160506874 432725291 /nfs/dbraw/zinc/72/52/91/432725291.db2.gz IZFFTQALUMBXIR-CYBMUJFWSA-N 1 0 312.866 3.033 20 70 DGIDRO Cc1csc(Nc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)n1 ZINC000159421959 432684018 /nfs/dbraw/zinc/68/40/18/432684018.db2.gz BHSMQZUBVJSIAH-LBPRGKRZSA-N 1 0 316.430 3.133 20 70 DGIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000159543893 432687169 /nfs/dbraw/zinc/68/71/69/432687169.db2.gz AQDGZCYXCRJLGY-GOEBONIOSA-N 1 0 316.445 3.094 20 70 DGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(OC(F)F)cc1 ZINC000159660252 432691716 /nfs/dbraw/zinc/69/17/16/432691716.db2.gz OGRGQBRJYJFSRL-WFASDCNBSA-N 1 0 324.371 3.491 20 70 DGIDRO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1cccc2ccccc21 ZINC000160886342 432746896 /nfs/dbraw/zinc/74/68/96/432746896.db2.gz QFMYLLVDBDQXKB-UHFFFAOYSA-N 1 0 319.470 3.485 20 70 DGIDRO COc1ccccc1SCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000160927735 432749417 /nfs/dbraw/zinc/74/94/17/432749417.db2.gz KHJQNIBLEGZMLE-UHFFFAOYSA-N 1 0 324.490 3.022 20 70 DGIDRO C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc21 ZINC000160903509 432749519 /nfs/dbraw/zinc/74/95/19/432749519.db2.gz FJBNGPJLTNGQLV-LSDHHAIUSA-N 1 0 313.445 3.337 20 70 DGIDRO C[C@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CN1Cc1ccccc1 ZINC000160976521 432752098 /nfs/dbraw/zinc/75/20/98/432752098.db2.gz NIOMJDPBSYHAFK-DZFGPLHGSA-N 1 0 324.468 3.363 20 70 DGIDRO CCOc1ccc([C@H](CC)[NH2+]CC(=O)NC(C)C)cc1OCC ZINC000160989618 432752279 /nfs/dbraw/zinc/75/22/79/432752279.db2.gz NYDCQWUVAAFZFO-HNNXBMFYSA-N 1 0 322.449 3.049 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000161076065 432757644 /nfs/dbraw/zinc/75/76/44/432757644.db2.gz DECNBURVZYNQQJ-UHFFFAOYSA-N 1 0 323.440 3.210 20 70 DGIDRO CCC[C@H](C(=O)NC[C@@H](c1ccccc1OC)N(C)C)C(C)C ZINC000161066594 432757848 /nfs/dbraw/zinc/75/78/48/432757848.db2.gz LOJZYOVYPGJNLS-RDJZCZTQSA-N 1 0 320.477 3.486 20 70 DGIDRO O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000161066017 432757932 /nfs/dbraw/zinc/75/79/32/432757932.db2.gz ALNASLNAEITYKJ-HZPDHXFCSA-N 1 0 314.454 3.148 20 70 DGIDRO CC[C@H]([NH3+])C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000161116315 432759336 /nfs/dbraw/zinc/75/93/36/432759336.db2.gz LNCPFDODCAZXDI-MFKMUULPSA-N 1 0 302.340 3.352 20 70 DGIDRO CC[C@H](Cc1ccccc1)N(C)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000161107090 432759909 /nfs/dbraw/zinc/75/99/09/432759909.db2.gz UGDJUHJZCPFPCB-VQIMIIECSA-N 1 0 316.489 3.492 20 70 DGIDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161167438 432764043 /nfs/dbraw/zinc/76/40/43/432764043.db2.gz UDISSZYOUQVYDU-GJZGRUSLSA-N 1 0 304.482 3.351 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)on1 ZINC000161215417 432766665 /nfs/dbraw/zinc/76/66/65/432766665.db2.gz LEPKSSPVQGSCRW-UONOGXRCSA-N 1 0 307.438 3.040 20 70 DGIDRO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC000161235633 432768852 /nfs/dbraw/zinc/76/88/52/432768852.db2.gz WERMBRVNTHQEPG-QAPCUYQASA-N 1 0 300.446 3.028 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1nc(C2CCCCC2)no1 ZINC000161256094 432769242 /nfs/dbraw/zinc/76/92/42/432769242.db2.gz HYNIJLSYAFQGFR-LBPRGKRZSA-N 1 0 322.453 3.060 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncnc3sccc32)C1 ZINC000161310771 432772744 /nfs/dbraw/zinc/77/27/44/432772744.db2.gz ZOVCILMFJHPGES-ZDUSSCGKSA-N 1 0 304.463 3.471 20 70 DGIDRO C[C@]1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC[NH2+]C1 ZINC000161334243 432772830 /nfs/dbraw/zinc/77/28/30/432772830.db2.gz CRABXUSPRKQAPW-KRWDZBQOSA-N 1 0 306.381 3.085 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000161335911 432772836 /nfs/dbraw/zinc/77/28/36/432772836.db2.gz LAQHHYVIODSHNI-LBPRGKRZSA-N 1 0 306.381 3.228 20 70 DGIDRO C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)COCc1ccccc1 ZINC000161312934 432773469 /nfs/dbraw/zinc/77/34/69/432773469.db2.gz UNNUZHFFBGNQQX-YJBOKZPZSA-N 1 0 313.445 3.240 20 70 DGIDRO C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H](c2ccsc2)O1 ZINC000161410821 432777435 /nfs/dbraw/zinc/77/74/35/432777435.db2.gz VEZPANZNUZHTKI-DOTOQJQBSA-N 1 0 308.491 3.386 20 70 DGIDRO OC[C@@H](C[NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccccc1 ZINC000161445363 432779121 /nfs/dbraw/zinc/77/91/21/432779121.db2.gz OJTSJTALZVBJTG-QAPCUYQASA-N 1 0 315.388 3.405 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000160552604 432729615 /nfs/dbraw/zinc/72/96/15/432729615.db2.gz HLRDZRIGBJSFHH-AWEZNQCLSA-N 1 0 321.417 3.259 20 70 DGIDRO CC[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)c1cccc(C(F)(F)F)c1 ZINC000160683021 432735934 /nfs/dbraw/zinc/73/59/34/432735934.db2.gz OSNXOWMXNHPFRK-KBPBESRZSA-N 1 0 314.351 3.019 20 70 DGIDRO CCCC[N@H+](CC1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000160794698 432741910 /nfs/dbraw/zinc/74/19/10/432741910.db2.gz DQMGVFHWJSEBFF-GPANFISMSA-N 1 0 301.496 3.102 20 70 DGIDRO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000161502579 432783683 /nfs/dbraw/zinc/78/36/83/432783683.db2.gz XGBBYQAEBRXFHP-APWZRJJASA-N 1 0 323.440 3.149 20 70 DGIDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)oc1C ZINC000159487440 292793791 /nfs/dbraw/zinc/79/37/91/292793791.db2.gz TTYRHVIARVADOJ-UHFFFAOYSA-N 1 0 318.392 3.240 20 70 DGIDRO C[NH+]1CCC(Oc2ccc(NCc3cccs3)cn2)CC1 ZINC000160083691 292806919 /nfs/dbraw/zinc/80/69/19/292806919.db2.gz CDPOATCZWVIRMS-UHFFFAOYSA-N 1 0 303.431 3.228 20 70 DGIDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160073570 292806929 /nfs/dbraw/zinc/80/69/29/292806929.db2.gz DWBJGTCGDBXDDF-SFHVURJKSA-N 1 0 314.429 3.216 20 70 DGIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000161115232 292828592 /nfs/dbraw/zinc/82/85/92/292828592.db2.gz TUJARZLMHIGVCA-GFCCVEGCSA-N 1 0 313.353 3.037 20 70 DGIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCSC1 ZINC000161249421 292832170 /nfs/dbraw/zinc/83/21/70/292832170.db2.gz ULPRATIUXLMMQJ-CHWSQXEVSA-N 1 0 302.484 3.021 20 70 DGIDRO CCCCOc1ccc(CC[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000161391172 292834553 /nfs/dbraw/zinc/83/45/53/292834553.db2.gz CGCUMTLKGYLYLX-OAHLLOKOSA-N 1 0 301.434 3.492 20 70 DGIDRO COc1ccc([C@@H]([NH2+]C2CCC3(CC2)OCCO3)C2CC2)cc1 ZINC000161249456 295215336 /nfs/dbraw/zinc/21/53/36/295215336.db2.gz KZADWCYSHJMNJC-SFHVURJKSA-N 1 0 317.429 3.422 20 70 DGIDRO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc(C2CC2)n1 ZINC000160450823 301336052 /nfs/dbraw/zinc/33/60/52/301336052.db2.gz AXITZNXJRDLJQA-MRXNPFEDSA-N 1 0 300.450 3.117 20 70 DGIDRO C[C@@H](Sc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159830406 534008715 /nfs/dbraw/zinc/00/87/15/534008715.db2.gz FHDCJWMSRDYYBB-CQSZACIVSA-N 1 0 318.486 3.158 20 70 DGIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C(C)C)C3CC3)c2c1 ZINC000160577403 534247845 /nfs/dbraw/zinc/24/78/45/534247845.db2.gz AHAUTZLXODGRGP-UHFFFAOYSA-N 1 0 314.385 3.010 20 70 DGIDRO [NH3+]C1(CNC(=O)c2cc(Cl)cc3cccnc32)CCCCC1 ZINC000159495082 534547549 /nfs/dbraw/zinc/54/75/49/534547549.db2.gz MKEFNCYARQMUTD-UHFFFAOYSA-N 1 0 317.820 3.280 20 70 DGIDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000159505268 524380994 /nfs/dbraw/zinc/38/09/94/524380994.db2.gz SCNVFEXEXVDBRH-INIZCTEOSA-N 1 0 321.428 3.172 20 70 DGIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C1CCCC1 ZINC000160495492 525537193 /nfs/dbraw/zinc/53/71/93/525537193.db2.gz OZMXXMQYHMOGDI-MRXNPFEDSA-N 1 0 302.462 3.187 20 70 DGIDRO CSCC[C@@H]([NH3+])C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000160122524 525542991 /nfs/dbraw/zinc/54/29/91/525542991.db2.gz XAWJWOJUGBPOBA-MRXNPFEDSA-N 1 0 322.518 3.232 20 70 DGIDRO Cc1ccc([C@@H](C)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000159660625 525681240 /nfs/dbraw/zinc/68/12/40/525681240.db2.gz ZACSTFIDAJFQAY-HOTGVXAUSA-N 1 0 302.462 3.241 20 70 DGIDRO Cc1ccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000161499431 526150133 /nfs/dbraw/zinc/15/01/33/526150133.db2.gz DZAXQMLQZCJVFV-UHFFFAOYSA-N 1 0 315.461 3.163 20 70 DGIDRO CC(C)c1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cn1 ZINC000161204190 528069951 /nfs/dbraw/zinc/06/99/51/528069951.db2.gz UJULHQMTIGOSNC-UHFFFAOYSA-N 1 0 303.450 3.057 20 70 DGIDRO CCC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000160803474 528476453 /nfs/dbraw/zinc/47/64/53/528476453.db2.gz WFCVSTBSMFHNHW-MJBXVCDLSA-N 1 0 302.418 3.479 20 70 DGIDRO CCCOc1ccc(Cl)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160215681 528692014 /nfs/dbraw/zinc/69/20/14/528692014.db2.gz OAWPUEANMYLFDO-OKILXGFUSA-N 1 0 322.836 3.095 20 70 DGIDRO CCC(CC)n1nccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000161379335 528913022 /nfs/dbraw/zinc/91/30/22/528913022.db2.gz SXZDAEGNSIOFIZ-UHFFFAOYSA-N 1 0 320.481 3.239 20 70 DGIDRO COCCN(C)CC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000159411862 546053076 /nfs/dbraw/zinc/05/30/76/546053076.db2.gz FRKVCFBUHXDTQB-AWEZNQCLSA-N 1 0 314.882 3.045 20 70 DGIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)c1ccncc1 ZINC000159773579 546056156 /nfs/dbraw/zinc/05/61/56/546056156.db2.gz SUBCYZZQTDDDEI-SJLPKXTDSA-N 1 0 317.477 3.346 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000159820822 546056645 /nfs/dbraw/zinc/05/66/45/546056645.db2.gz KIAAQTRSNVQFGD-DOTOQJQBSA-N 1 0 300.446 3.437 20 70 DGIDRO C[C@@H](CC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccncc1 ZINC000160989476 546064428 /nfs/dbraw/zinc/06/44/28/546064428.db2.gz IHZDSGHELSIABB-HNNXBMFYSA-N 1 0 315.461 3.098 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000161133820 546066006 /nfs/dbraw/zinc/06/60/06/546066006.db2.gz DNZDAQPGCAIQLO-VXGBXAGGSA-N 1 0 302.349 3.085 20 70 DGIDRO Cc1ccc(SCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000161132250 546066230 /nfs/dbraw/zinc/06/62/30/546066230.db2.gz BRXDJNLOJLLBJN-HUUCEWRRSA-N 1 0 306.475 3.172 20 70 DGIDRO Cc1ccc(SCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000161132151 546066238 /nfs/dbraw/zinc/06/62/38/546066238.db2.gz BRXDJNLOJLLBJN-GJZGRUSLSA-N 1 0 306.475 3.172 20 70 DGIDRO C[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)[C@@H]1C[NH3+] ZINC000161207317 546066334 /nfs/dbraw/zinc/06/63/34/546066334.db2.gz PWWJCFNBQSJGIE-GXFFZTMASA-N 1 0 306.406 3.240 20 70 DGIDRO Cc1ccc(NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cn1 ZINC000161455378 546069165 /nfs/dbraw/zinc/06/91/65/546069165.db2.gz QMULITXIZHJFMJ-UHFFFAOYSA-N 1 0 316.449 3.118 20 70 DGIDRO COc1ccc(N(C)C(=O)C[C@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000161442217 546069596 /nfs/dbraw/zinc/06/95/96/546069596.db2.gz WUEVUPAJCLHSTI-LBPRGKRZSA-N 1 0 324.852 3.337 20 70 DGIDRO OCCCCCC[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000216652735 626996548 /nfs/dbraw/zinc/99/65/48/626996548.db2.gz ORHKSGVZXZYIEU-IBGZPJMESA-N 1 0 304.478 3.356 20 70 DGIDRO CC(C)(C)OC(=O)N(CC[NH2+]Cc1ccccc1F)C1CC1 ZINC000218188979 627104646 /nfs/dbraw/zinc/10/46/46/627104646.db2.gz QJLVQYHKWQIMJD-UHFFFAOYSA-N 1 0 308.397 3.315 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000160091293 529690369 /nfs/dbraw/zinc/69/03/69/529690369.db2.gz OSBBVQYIJRQSFT-GJZGRUSLSA-N 1 0 306.450 3.229 20 70 DGIDRO CCOc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1OC ZINC000159601548 186130040 /nfs/dbraw/zinc/13/00/40/186130040.db2.gz IPSYTOREDFAJLV-WBAXXEDZSA-N 1 0 317.429 3.141 20 70 DGIDRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1OC ZINC000159601466 186130379 /nfs/dbraw/zinc/13/03/79/186130379.db2.gz IPSYTOREDFAJLV-QGTPRVQTSA-N 1 0 317.429 3.141 20 70 DGIDRO CCCC[NH+]1CCC(NC(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC000159628375 186132023 /nfs/dbraw/zinc/13/20/23/186132023.db2.gz UTXBZWAMQODABW-OAHLLOKOSA-N 1 0 320.452 3.385 20 70 DGIDRO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159748793 186139018 /nfs/dbraw/zinc/13/90/18/186139018.db2.gz AFVNJIZBWXZSIO-LJQANCHMSA-N 1 0 314.473 3.417 20 70 DGIDRO C[C@@H](CC(=O)N1CCSC2(CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000161450893 295827381 /nfs/dbraw/zinc/82/73/81/295827381.db2.gz ZUHJVKZLUWZBCX-JKSUJKDBSA-N 1 0 324.534 3.291 20 70 DGIDRO C[NH2+][C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000160605582 283683711 /nfs/dbraw/zinc/68/37/11/283683711.db2.gz GWFOXULVPHPJGF-INIZCTEOSA-N 1 0 320.864 3.362 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2cccc(C)c2)CC1 ZINC000161385731 197491033 /nfs/dbraw/zinc/49/10/33/197491033.db2.gz HBZPGLYEIIUTKB-UHFFFAOYSA-N 1 0 302.462 3.310 20 70 DGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2OCc2ccccc2C)C1 ZINC000160753380 197436430 /nfs/dbraw/zinc/43/64/30/197436430.db2.gz UBEZYOJXKVDVIA-QGZVFWFLSA-N 1 0 324.424 3.008 20 70 DGIDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c(C)n1 ZINC000160056207 197382910 /nfs/dbraw/zinc/38/29/10/197382910.db2.gz NLJKWFQRVGBVDM-LBPRGKRZSA-N 1 0 300.406 3.126 20 70 DGIDRO CC[NH+](CC)Cc1cccc(CNC(=O)C[C@H](C)SC)c1 ZINC000160129160 197387841 /nfs/dbraw/zinc/38/78/41/197387841.db2.gz YSAURBKHBNHFFB-AWEZNQCLSA-N 1 0 308.491 3.286 20 70 DGIDRO CCn1nccc1C[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000160093925 197385698 /nfs/dbraw/zinc/38/56/98/197385698.db2.gz SFVMSQJNQDVIHW-UHFFFAOYSA-N 1 0 313.323 3.090 20 70 DGIDRO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)C1CC1 ZINC000160104190 197385821 /nfs/dbraw/zinc/38/58/21/197385821.db2.gz PIHQCWWORGHRDW-STQMWFEESA-N 1 0 308.853 3.465 20 70 DGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000160099203 197385199 /nfs/dbraw/zinc/38/51/99/197385199.db2.gz QFFULQGKXJOUGX-AWEZNQCLSA-N 1 0 302.422 3.497 20 70 DGIDRO CC[N@H+](CC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1)C1CC1 ZINC000160027879 197380004 /nfs/dbraw/zinc/38/00/04/197380004.db2.gz QEARONMHYLPMQD-FQEVSTJZSA-N 1 0 323.440 3.080 20 70 DGIDRO CCC[N@H+](C)C[C@H]1CCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159986572 197378184 /nfs/dbraw/zinc/37/81/84/197378184.db2.gz UXPXNQSHLFABRA-QGZVFWFLSA-N 1 0 302.462 3.232 20 70 DGIDRO CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(F)cc1 ZINC000160836002 400736327 /nfs/dbraw/zinc/73/63/27/400736327.db2.gz QQVOMPDAUARSPW-GOSISDBHSA-N 1 0 314.404 3.225 20 70 DGIDRO CC(C)CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000160801282 400736809 /nfs/dbraw/zinc/73/68/09/400736809.db2.gz ZLBQNAZNVUHOHC-HNNXBMFYSA-N 1 0 307.482 3.223 20 70 DGIDRO CCc1ccc(CC(=O)N[C@@H](C)CCC[NH+](CC)CC)cc1 ZINC000161287253 400738964 /nfs/dbraw/zinc/73/89/64/400738964.db2.gz PMYPIPXHXFNHBX-INIZCTEOSA-N 1 0 304.478 3.418 20 70 DGIDRO CC[C@@H](C(=O)N1CCC(CCc2ccccc2)CC1)[NH+](C)C ZINC000160728728 292821241 /nfs/dbraw/zinc/82/12/41/292821241.db2.gz UBYVZLNAMLCLMX-SFHVURJKSA-N 1 0 302.462 3.198 20 70 DGIDRO CC[C@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1 ZINC000216641999 165375614 /nfs/dbraw/zinc/37/56/14/165375614.db2.gz BMVKDADCRIFLKB-MOPGFXCFSA-N 1 0 304.478 3.393 20 70 DGIDRO O=C(c1ccccc1Oc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159888284 228243464 /nfs/dbraw/zinc/24/34/64/228243464.db2.gz WXOVYHJAAYFBAS-IYBDPMFKSA-N 1 0 322.408 3.445 20 70 DGIDRO C[C@H]([NH2+]Cc1ccoc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176026 263836109 /nfs/dbraw/zinc/83/61/09/263836109.db2.gz GFYVISCCQOWFAM-ZFWWWQNUSA-N 1 0 308.422 3.405 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1oc2c(c1C)c(C)ccc2C ZINC000161376735 277285392 /nfs/dbraw/zinc/28/53/92/277285392.db2.gz OHHOKTHRCHTFKR-CQSZACIVSA-N 1 0 300.402 3.182 20 70 DGIDRO Cc1cccc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1C ZINC000218681301 432659980 /nfs/dbraw/zinc/65/99/80/432659980.db2.gz ZPSMZRLAOKDFHA-FQEVSTJZSA-N 1 0 324.468 3.029 20 70 DGIDRO CCOCCC[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000159655797 432692072 /nfs/dbraw/zinc/69/20/72/432692072.db2.gz ZYWDGFDZMQOVHO-GOSISDBHSA-N 1 0 307.434 3.103 20 70 DGIDRO CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1(C)C ZINC000159782465 432695089 /nfs/dbraw/zinc/69/50/89/432695089.db2.gz MYNWFCUUWPEFRL-CABCVRRESA-N 1 0 318.452 3.289 20 70 DGIDRO Cc1c(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)cnn1C ZINC000159778376 432695854 /nfs/dbraw/zinc/69/58/54/432695854.db2.gz RJZLTWLAMGSJBQ-SNVBAGLBSA-N 1 0 313.323 3.478 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)on1 ZINC000160548013 432726272 /nfs/dbraw/zinc/72/62/72/432726272.db2.gz WMTVEKHJRRBPCT-MJBXVCDLSA-N 1 0 307.438 3.038 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000160065069 432704951 /nfs/dbraw/zinc/70/49/51/432704951.db2.gz DEBLJHPLIRWXFW-WMLDXEAASA-N 1 0 306.450 3.229 20 70 DGIDRO CC[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCOC1 ZINC000160023557 432705161 /nfs/dbraw/zinc/70/51/61/432705161.db2.gz FALQSGMRJSUYRE-LSDHHAIUSA-N 1 0 322.415 3.056 20 70 DGIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000160127471 432708997 /nfs/dbraw/zinc/70/89/97/432708997.db2.gz HJUPMVRLHZLURT-CYBMUJFWSA-N 1 0 316.376 3.157 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000160201633 432709823 /nfs/dbraw/zinc/70/98/23/432709823.db2.gz WBHVRWODABVNCB-ZYHUDNBSSA-N 1 0 302.509 3.340 20 70 DGIDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccccc1OC(F)F ZINC000160329551 432715320 /nfs/dbraw/zinc/71/53/20/432715320.db2.gz QABFRJVCYVDKEG-DGCLKSJQSA-N 1 0 319.417 3.443 20 70 DGIDRO COc1cc([C@H](C)[NH2+][C@H](CCO)CSC)ccc1SC ZINC000160334312 432715780 /nfs/dbraw/zinc/71/57/80/432715780.db2.gz MLBFNOMOSQOSJY-WCQYABFASA-N 1 0 315.504 3.182 20 70 DGIDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC(F)F ZINC000160490285 432723403 /nfs/dbraw/zinc/72/34/03/432723403.db2.gz MXBYILAWXXZCBF-GFCCVEGCSA-N 1 0 315.360 3.344 20 70 DGIDRO COC[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000160517438 432724304 /nfs/dbraw/zinc/72/43/04/432724304.db2.gz SZFOOPYNHOALPP-CQSZACIVSA-N 1 0 303.324 3.099 20 70 DGIDRO C[N@H+](Cc1cnc2ccccn12)[C@H]1CCCN(c2ccccc2)C1 ZINC000160544625 432726696 /nfs/dbraw/zinc/72/66/96/432726696.db2.gz FPKIRGSLFOLYPD-SFHVURJKSA-N 1 0 320.440 3.435 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC000160513432 432724663 /nfs/dbraw/zinc/72/46/63/432724663.db2.gz ZRBLFPJZUBXNEN-OAHLLOKOSA-N 1 0 311.429 3.085 20 70 DGIDRO C[C@H](CC(=O)Nc1ccccc1OCC1CC1)C1CC[NH2+]CC1 ZINC000160527192 432724739 /nfs/dbraw/zinc/72/47/39/432724739.db2.gz LTGBCNVSADSFGO-CQSZACIVSA-N 1 0 316.445 3.440 20 70 DGIDRO C[C@@H]1C[C@@H](NCc2ccc(N3CCCCCC3)nc2)CC[N@@H+]1C ZINC000160519508 432725157 /nfs/dbraw/zinc/72/51/57/432725157.db2.gz NGRDUHNHEUSORH-AEFFLSMTSA-N 1 0 316.493 3.034 20 70 DGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cnc(C)s2)cc1 ZINC000159373751 432682101 /nfs/dbraw/zinc/68/21/01/432682101.db2.gz WKZGPQOKJGOLEE-LLVKDONJSA-N 1 0 324.471 3.096 20 70 DGIDRO CCS[C@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159421568 432683715 /nfs/dbraw/zinc/68/37/15/432683715.db2.gz GKFFAVNHWIRYDL-GJZGRUSLSA-N 1 0 315.527 3.032 20 70 DGIDRO CC[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C)cc1 ZINC000159509637 432685833 /nfs/dbraw/zinc/68/58/33/432685833.db2.gz OUIHZBIOBNZLIE-IRXDYDNUSA-N 1 0 302.462 3.337 20 70 DGIDRO C[N@@H+](Cc1c(Cl)ccc2cccnc21)C[C@H]1CCC[C@@H]1O ZINC000159558766 432687077 /nfs/dbraw/zinc/68/70/77/432687077.db2.gz RAIGMNYNMMKDQF-CJNGLKHVSA-N 1 0 304.821 3.481 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(COCc2ccccc2)cc1 ZINC000159516774 432687318 /nfs/dbraw/zinc/68/73/18/432687318.db2.gz CBMJXLOJYJWNMW-LJQANCHMSA-N 1 0 324.424 3.484 20 70 DGIDRO COc1ccccc1CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159633166 432690514 /nfs/dbraw/zinc/69/05/14/432690514.db2.gz LUWRAZJEZUSWTQ-UHFFFAOYSA-N 1 0 318.461 3.056 20 70 DGIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCCc3c2cnn3C)C1 ZINC000161025205 432754946 /nfs/dbraw/zinc/75/49/46/432754946.db2.gz SHXDRUSMEKATCY-DOTOQJQBSA-N 1 0 318.509 3.288 20 70 DGIDRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)C1CC1 ZINC000161044611 432756099 /nfs/dbraw/zinc/75/60/99/432756099.db2.gz PPIJEJGKOVQSJH-SFHVURJKSA-N 1 0 300.446 3.378 20 70 DGIDRO O[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1Cl ZINC000161031830 432756214 /nfs/dbraw/zinc/75/62/14/432756214.db2.gz UHFWAHRSMDZRDT-KBRIMQKVSA-N 1 0 309.837 3.000 20 70 DGIDRO COC[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C)C1CC1 ZINC000161049709 432756645 /nfs/dbraw/zinc/75/66/45/432756645.db2.gz MXBWEYDPEYFGEZ-CRAIPNDOSA-N 1 0 305.418 3.170 20 70 DGIDRO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000161073710 432757463 /nfs/dbraw/zinc/75/74/63/432757463.db2.gz UITMCAUYKLKACN-MIJOPJBOSA-N 1 0 324.472 3.266 20 70 DGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000161064490 432757606 /nfs/dbraw/zinc/75/76/06/432757606.db2.gz NJWSYPFCBOZBJX-CYBMUJFWSA-N 1 0 300.446 3.493 20 70 DGIDRO CN(C)C(=O)c1ccc(CN(C)Cc2cccc(Cl)c2)[nH]1 ZINC000161128715 432761187 /nfs/dbraw/zinc/76/11/87/432761187.db2.gz GUVWGOXEOMHXIO-UHFFFAOYSA-N 1 0 305.809 3.002 20 70 DGIDRO CC(C)n1cc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cn1 ZINC000161147273 432762826 /nfs/dbraw/zinc/76/28/26/432762826.db2.gz JGZFDMJQPSUHEB-ZDUSSCGKSA-N 1 0 301.390 3.086 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccc(SC)c(OC)c1 ZINC000161201790 432764750 /nfs/dbraw/zinc/76/47/50/432764750.db2.gz AOHNMGBQNPTNQG-UHFFFAOYSA-N 1 0 324.490 3.141 20 70 DGIDRO CCC(CC)n1ncc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1C ZINC000161173432 432765163 /nfs/dbraw/zinc/76/51/63/432765163.db2.gz XMPYQXXXYFKHSF-HNNXBMFYSA-N 1 0 322.497 3.259 20 70 DGIDRO CC(C)(C)[NH+]1CCC(NC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000161197511 432765611 /nfs/dbraw/zinc/76/56/11/432765611.db2.gz VWEJNYNKIDTPQG-UHFFFAOYSA-N 1 0 314.351 3.097 20 70 DGIDRO C[C@@H](c1ccccn1)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161190157 432765708 /nfs/dbraw/zinc/76/57/08/432765708.db2.gz CDVCJKSUJLYKMW-HNNXBMFYSA-N 1 0 317.477 3.359 20 70 DGIDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)CN1C1CC1 ZINC000161267053 432769872 /nfs/dbraw/zinc/76/98/72/432769872.db2.gz UYYJIBIUNAESQS-SUYBPPKGSA-N 1 0 304.409 3.254 20 70 DGIDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OC2CCCCC2)C1 ZINC000161316217 432772728 /nfs/dbraw/zinc/77/27/28/432772728.db2.gz LITZBOGQDFKULG-HNNXBMFYSA-N 1 0 316.445 3.080 20 70 DGIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1(CC)CC ZINC000161317517 432772796 /nfs/dbraw/zinc/77/27/96/432772796.db2.gz XBAQYZMETAFPJE-HYVNUMGLSA-N 1 0 305.466 3.371 20 70 DGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@H](C)C2)c1 ZINC000161310470 432773671 /nfs/dbraw/zinc/77/36/71/432773671.db2.gz FXWITDAADWOMRR-JKSUJKDBSA-N 1 0 317.477 3.326 20 70 DGIDRO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161398782 432775958 /nfs/dbraw/zinc/77/59/58/432775958.db2.gz CUFXQVWOWXJFGP-QVNOTHCHSA-N 1 0 308.429 3.117 20 70 DGIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000161401274 432776204 /nfs/dbraw/zinc/77/62/04/432776204.db2.gz HJFXHBACBGDXEX-KDOFPFPSSA-N 1 0 312.413 3.072 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2ccccc2C)CC1 ZINC000161394315 432777126 /nfs/dbraw/zinc/77/71/26/432777126.db2.gz ICANCOZKTHTWMF-UHFFFAOYSA-N 1 0 302.462 3.310 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCS3)CC2)CC1 ZINC000161451427 432779456 /nfs/dbraw/zinc/77/94/56/432779456.db2.gz BKADPDTYQTXQDH-GPANFISMSA-N 1 0 310.507 3.041 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCc2cccc3ccccc32)CC1 ZINC000161452593 432779780 /nfs/dbraw/zinc/77/97/80/432779780.db2.gz XCTUGTPOLTYVGC-UHFFFAOYSA-N 1 0 310.441 3.419 20 70 DGIDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1cnn(C)c1 ZINC000161436569 432780220 /nfs/dbraw/zinc/78/02/20/432780220.db2.gz WQHLWTKBNUBTHC-OTYXRUKQSA-N 1 0 314.216 3.111 20 70 DGIDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000161487529 432781120 /nfs/dbraw/zinc/78/11/20/432781120.db2.gz AFMBOQMVJJNGHU-LBPRGKRZSA-N 1 0 316.474 3.258 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccnc1Cl ZINC000160546580 432726905 /nfs/dbraw/zinc/72/69/05/432726905.db2.gz OQKZHHCSLCSYBC-UHFFFAOYSA-N 1 0 312.845 3.321 20 70 DGIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(Cl)s1 ZINC000160539519 432727291 /nfs/dbraw/zinc/72/72/91/432727291.db2.gz JTJDGNJTMZAYAU-WDEREUQCSA-N 1 0 310.854 3.357 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1nc2ccccc2n1C1CCCC1 ZINC000160531804 432727478 /nfs/dbraw/zinc/72/74/78/432727478.db2.gz YAPVTUMBZWCWJR-ZDUSSCGKSA-N 1 0 312.417 3.232 20 70 DGIDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(N2CCCC2=O)c1 ZINC000160557821 432729542 /nfs/dbraw/zinc/72/95/42/432729542.db2.gz MYDODCXYMXPTDQ-HFTRVMKXSA-N 1 0 316.445 3.015 20 70 DGIDRO CC(C)CSCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160717682 432737566 /nfs/dbraw/zinc/73/75/66/432737566.db2.gz GXMKTXPXXQITJZ-UHFFFAOYSA-N 1 0 308.491 3.257 20 70 DGIDRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000160773011 432739940 /nfs/dbraw/zinc/73/99/40/432739940.db2.gz BBYWLAPSUVDXKC-JKSUJKDBSA-N 1 0 321.428 3.253 20 70 DGIDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(Br)cc2)n1 ZINC000160797552 432742175 /nfs/dbraw/zinc/74/21/75/432742175.db2.gz VSTIUILLPWEJEQ-UHFFFAOYSA-N 1 0 321.218 3.490 20 70 DGIDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160794887 432742193 /nfs/dbraw/zinc/74/21/93/432742193.db2.gz KYMDMOVUNYHWBF-PMACEKPBSA-N 1 0 313.441 3.348 20 70 DGIDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cnc2ccccn12 ZINC000160815947 432743544 /nfs/dbraw/zinc/74/35/44/432743544.db2.gz MQCXIZCVFXYEHK-HNNXBMFYSA-N 1 0 309.413 3.406 20 70 DGIDRO CC[NH+](CC)[C@H](C(=O)N(C)Cc1cccn1C)c1ccccc1 ZINC000160832074 432743757 /nfs/dbraw/zinc/74/37/57/432743757.db2.gz PDMPFACUHXWWKM-SFHVURJKSA-N 1 0 313.445 3.067 20 70 DGIDRO Fc1cc(Cl)cc(C[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000160822155 432744705 /nfs/dbraw/zinc/74/47/05/432744705.db2.gz JPIYRIUOORHVES-HNNXBMFYSA-N 1 0 301.789 3.154 20 70 DGIDRO Cc1ccc(SCC[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000160848899 432746141 /nfs/dbraw/zinc/74/61/41/432746141.db2.gz DVRQTHKFBHSEQA-MRXNPFEDSA-N 1 0 301.459 3.488 20 70 DGIDRO CC(=O)NC1CCC([NH2+][C@@H](C)Cc2ccc(C)cc2C)CC1 ZINC000161480570 432781991 /nfs/dbraw/zinc/78/19/91/432781991.db2.gz PCUASTHRVTZBRV-MNNVXMFVSA-N 1 0 302.462 3.271 20 70 DGIDRO COc1ccc(C(C)(C)C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161464425 432782004 /nfs/dbraw/zinc/78/20/04/432782004.db2.gz BPXGGLZZKZMVGH-UHFFFAOYSA-N 1 0 319.445 3.248 20 70 DGIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(OCCC(C)C)c1 ZINC000161509946 432783376 /nfs/dbraw/zinc/78/33/76/432783376.db2.gz NMHPBYOYECRCIT-OAHLLOKOSA-N 1 0 324.490 3.439 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000159418965 292792517 /nfs/dbraw/zinc/79/25/17/292792517.db2.gz OXPUMWQFWCJERZ-IRXDYDNUSA-N 1 0 310.441 3.393 20 70 DGIDRO CCCCn1ncc(NC(=O)N(CC[NH+](C)C)CC(C)C)c1C ZINC000159927979 292803513 /nfs/dbraw/zinc/80/35/13/292803513.db2.gz BUFKMYKYGBONLR-UHFFFAOYSA-N 1 0 323.485 3.043 20 70 DGIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000159993598 292805032 /nfs/dbraw/zinc/80/50/32/292805032.db2.gz MKTNJQVPKWCDGV-GFCCVEGCSA-N 1 0 314.376 3.101 20 70 DGIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000160153278 292808845 /nfs/dbraw/zinc/80/88/45/292808845.db2.gz ZMBVBCIOLLMAGP-CVEARBPZSA-N 1 0 311.491 3.164 20 70 DGIDRO C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1c(F)cccc1F ZINC000160907724 292823883 /nfs/dbraw/zinc/82/38/83/292823883.db2.gz ICGUWUIOXXAGRD-CYBMUJFWSA-N 1 0 324.415 3.449 20 70 DGIDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC2(c3ccccc3)CC2)[C@@H]1C ZINC000218741612 337341073 /nfs/dbraw/zinc/34/10/73/337341073.db2.gz WUWXMHAQNQDAGV-JFIYKMOQSA-N 1 0 314.473 3.249 20 70 DGIDRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159562766 534006926 /nfs/dbraw/zinc/00/69/26/534006926.db2.gz XCUYXUFDYIQYLI-BNOWGMLFSA-N 1 0 324.877 3.174 20 70 DGIDRO CC(C)(C)c1nsc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000159673885 519140934 /nfs/dbraw/zinc/14/09/34/519140934.db2.gz ATPOLOPUMFFNAZ-ZDUSSCGKSA-N 1 0 308.495 3.148 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)ccn1 ZINC000160809861 519325494 /nfs/dbraw/zinc/32/54/94/519325494.db2.gz HCSYUSZEYKPNCF-YQQAZPJKSA-N 1 0 306.450 3.410 20 70 DGIDRO CCC[N@@H+]1CCCN(C(=O)CC(C)(C)c2ccccc2)CC1 ZINC000160378034 519848777 /nfs/dbraw/zinc/84/87/77/519848777.db2.gz DPPSKSLOVUQIDZ-UHFFFAOYSA-N 1 0 302.462 3.299 20 70 DGIDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](CC)[C@H]2CCOC2)cc1 ZINC000160115937 520684848 /nfs/dbraw/zinc/68/48/48/520684848.db2.gz IZQWUOSCLGOBRB-ROUUACIJSA-N 1 0 318.461 3.121 20 70 DGIDRO [NH3+]C1(CNC(=O)CSc2ccc(Cl)cc2)CCCCC1 ZINC000159617940 534536749 /nfs/dbraw/zinc/53/67/49/534536749.db2.gz RJEMAKGHQKSAQY-UHFFFAOYSA-N 1 0 312.866 3.210 20 70 DGIDRO Cc1cccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1F ZINC000159692641 534602386 /nfs/dbraw/zinc/60/23/86/534602386.db2.gz LYXTZJJCVPWHMX-UHFFFAOYSA-N 1 0 314.404 3.386 20 70 DGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000161148510 524000462 /nfs/dbraw/zinc/00/04/62/524000462.db2.gz VEPBVFUFPLPECF-GJZGRUSLSA-N 1 0 318.461 3.120 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3c(s1)CCCC3)CC2 ZINC000160412269 527197022 /nfs/dbraw/zinc/19/70/22/527197022.db2.gz ZRZNGLMJDVJFRW-SMDDNHRTSA-N 1 0 316.474 3.192 20 70 DGIDRO CCOCCC1(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000160645279 528605455 /nfs/dbraw/zinc/60/54/55/528605455.db2.gz CGJQNARBLNBZNU-QGZVFWFLSA-N 1 0 318.461 3.002 20 70 DGIDRO CCCOc1cccc(CC(=O)NC2CC[NH+](CCC)CC2)c1 ZINC000160813250 528739805 /nfs/dbraw/zinc/73/98/05/528739805.db2.gz WNYQMBUCEAKTLQ-UHFFFAOYSA-N 1 0 318.461 3.009 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(N(C)CC(C)C)cc1 ZINC000160438078 528946886 /nfs/dbraw/zinc/94/68/86/528946886.db2.gz WATUPSVFEIKYCE-UHFFFAOYSA-N 1 0 305.466 3.026 20 70 DGIDRO CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159814003 528960272 /nfs/dbraw/zinc/96/02/72/528960272.db2.gz PZACYOPJZSQUTD-SFHVURJKSA-N 1 0 317.477 3.135 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)NCCCCCc2ccccc2)CC1 ZINC000159810801 529022660 /nfs/dbraw/zinc/02/26/60/529022660.db2.gz PCBNOWYHCNOVCY-UHFFFAOYSA-N 1 0 317.477 3.137 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000159821190 529028986 /nfs/dbraw/zinc/02/89/86/529028986.db2.gz WBSCEYBCODJBFI-SFHVURJKSA-N 1 0 315.461 3.265 20 70 DGIDRO COC[C@H](C)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160321340 546059956 /nfs/dbraw/zinc/05/99/56/546059956.db2.gz PGNDOXRRNATCKN-LLVKDONJSA-N 1 0 323.234 3.369 20 70 DGIDRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCOC(C)(C)C1)O[C@@H](C)C2 ZINC000160535359 546060839 /nfs/dbraw/zinc/06/08/39/546060839.db2.gz LYUJXKYJZQEUGQ-XJKSGUPXSA-N 1 0 319.445 3.456 20 70 DGIDRO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160736095 546061788 /nfs/dbraw/zinc/06/17/88/546061788.db2.gz VKCFWBPQQLPPSU-YGRLFVJLSA-N 1 0 303.324 3.349 20 70 DGIDRO CC(C)(CCCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160829689 546062467 /nfs/dbraw/zinc/06/24/67/546062467.db2.gz BRTWZUCNCWUPEC-IAGOWNOFSA-N 1 0 302.462 3.422 20 70 DGIDRO Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160765964 546062855 /nfs/dbraw/zinc/06/28/55/546062855.db2.gz YNNRMZUYDHDBQI-ZIAGYGMSSA-N 1 0 315.442 3.118 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccccc2Nc2ccccc2)C1 ZINC000160964535 546063404 /nfs/dbraw/zinc/06/34/04/546063404.db2.gz NEDHXDDTIAUQHK-HOCLYGCPSA-N 1 0 309.413 3.430 20 70 DGIDRO CC(C)CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160960618 546063728 /nfs/dbraw/zinc/06/37/28/546063728.db2.gz CDLTYQHUJYJSAD-CVEARBPZSA-N 1 0 304.434 3.111 20 70 DGIDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1cccc(-n2cnnn2)c1 ZINC000160957293 546063854 /nfs/dbraw/zinc/06/38/54/546063854.db2.gz ZLCSIOWHPLNOCC-RHSMWYFYSA-N 1 0 319.412 3.043 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000161197680 546066170 /nfs/dbraw/zinc/06/61/70/546066170.db2.gz LVUQEUOLLLJNFY-UHFFFAOYSA-N 1 0 321.852 3.245 20 70 DGIDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161197342 546066342 /nfs/dbraw/zinc/06/63/42/546066342.db2.gz BOTPTEBOSXXCDA-LLVKDONJSA-N 1 0 306.406 3.112 20 70 DGIDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cn1 ZINC000161296671 546067013 /nfs/dbraw/zinc/06/70/13/546067013.db2.gz FRZOKFCBTJDHRZ-OAHLLOKOSA-N 1 0 309.413 3.368 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000161400645 546068155 /nfs/dbraw/zinc/06/81/55/546068155.db2.gz LYOFDXHXQAGKKF-CVEARBPZSA-N 1 0 304.409 3.024 20 70 DGIDRO Cc1ccc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000161509491 546070137 /nfs/dbraw/zinc/07/01/37/546070137.db2.gz HTOHERWAPRRJSC-SFHVURJKSA-N 1 0 324.428 3.349 20 70 DGIDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000216695994 546262777 /nfs/dbraw/zinc/26/27/77/546262777.db2.gz GHBWUIHQWAKJPH-DOTOQJQBSA-N 1 0 316.445 3.440 20 70 DGIDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC000218147314 627104008 /nfs/dbraw/zinc/10/40/08/627104008.db2.gz PFJCINWWGFDBFS-UHFFFAOYSA-N 1 0 300.402 3.454 20 70 DGIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3cccc(C)c3)CCCCC2)C1 ZINC000160753924 290813325 /nfs/dbraw/zinc/81/33/25/290813325.db2.gz UKQDDNOXXNXDGD-QGZVFWFLSA-N 1 0 300.446 3.017 20 70 DGIDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000159601870 186130183 /nfs/dbraw/zinc/13/01/83/186130183.db2.gz ODASJDVBSTUSBG-MRXNPFEDSA-N 1 0 304.434 3.458 20 70 DGIDRO CCOc1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1OC ZINC000159601785 186130361 /nfs/dbraw/zinc/13/03/61/186130361.db2.gz IPSYTOREDFAJLV-JLSDUUJJSA-N 1 0 317.429 3.141 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(N2CCCC2=O)cc1 ZINC000159633460 186132010 /nfs/dbraw/zinc/13/20/10/186132010.db2.gz OJQQEQSCNLKJHG-ZFWWWQNUSA-N 1 0 304.459 3.360 20 70 DGIDRO COc1ccc2cc([C@H](C)[NH2+]CCc3cnn(C)c3)ccc2c1 ZINC000159755346 186139753 /nfs/dbraw/zinc/13/97/53/186139753.db2.gz FAECVGIKJHZBKR-AWEZNQCLSA-N 1 0 309.413 3.475 20 70 DGIDRO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H](C)SC)cc1 ZINC000159758596 186139755 /nfs/dbraw/zinc/13/97/55/186139755.db2.gz AZAUZPONGBTBNA-CQSZACIVSA-N 1 0 324.490 3.487 20 70 DGIDRO [NH3+]C[C@H]1CCCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000160156613 283507382 /nfs/dbraw/zinc/50/73/82/283507382.db2.gz DZBWFZWBAGJNPE-CYBMUJFWSA-N 1 0 312.866 3.162 20 70 DGIDRO COC(=O)[C@@H](C)[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000161439788 283935738 /nfs/dbraw/zinc/93/57/38/283935738.db2.gz UNUUZIWSYYEIOE-FUHWJXTLSA-N 1 0 318.461 3.002 20 70 DGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)CCC=C(C)C)c1 ZINC000161427198 197494939 /nfs/dbraw/zinc/49/49/39/197494939.db2.gz IRVAVOOIJVHAOP-GJZGRUSLSA-N 1 0 324.490 3.380 20 70 DGIDRO CC[C@H]([NH2+]C[C@H](C)COCc1ccccc1)c1cnn(C)c1 ZINC000161295278 197483087 /nfs/dbraw/zinc/48/30/87/197483087.db2.gz JWNWBCBYZHXEOD-YJBOKZPZSA-N 1 0 301.434 3.314 20 70 DGIDRO O=C(NC(c1cccs1)c1cccs1)C1CC[NH2+]CC1 ZINC000161299376 197482798 /nfs/dbraw/zinc/48/27/98/197482798.db2.gz SWWUWKRJMTWZOR-UHFFFAOYSA-N 1 0 306.456 3.015 20 70 DGIDRO CC(C)(C)c1nsc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000160043935 197381592 /nfs/dbraw/zinc/38/15/92/197381592.db2.gz YZDJXYFLLJUCAH-TZMCWYRMSA-N 1 0 320.506 3.289 20 70 DGIDRO CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@H](C)SC)c1 ZINC000160129077 197388342 /nfs/dbraw/zinc/38/83/42/197388342.db2.gz YSAURBKHBNHFFB-CQSZACIVSA-N 1 0 308.491 3.286 20 70 DGIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000160105726 197385912 /nfs/dbraw/zinc/38/59/12/197385912.db2.gz QBBJEWWBFRQBRQ-GOSISDBHSA-N 1 0 300.446 3.228 20 70 DGIDRO CCn1cc([C@@H](C)[NH2+]C[C@H](C)N2CCc3sccc3C2)cn1 ZINC000159865319 197369980 /nfs/dbraw/zinc/36/99/80/197369980.db2.gz KZWSBMPEOPJHQY-UONOGXRCSA-N 1 0 318.490 3.062 20 70 DGIDRO CC(C)c1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159867811 197369680 /nfs/dbraw/zinc/36/96/80/197369680.db2.gz MQBOWWZURRRABE-UHFFFAOYSA-N 1 0 300.446 3.414 20 70 DGIDRO Cc1cc(NC(=O)[C@@H]([NH3+])CC(C)C)ccc1OCC(F)(F)F ZINC000159563260 197361580 /nfs/dbraw/zinc/36/15/80/197361580.db2.gz LYKADNULIKIZHQ-LBPRGKRZSA-N 1 0 318.339 3.248 20 70 DGIDRO C[C@@H](CCn1cccn1)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000159457465 197355549 /nfs/dbraw/zinc/35/55/49/197355549.db2.gz PVYQARPLAHFGBB-INIZCTEOSA-N 1 0 316.449 3.104 20 70 DGIDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000218170793 284785847 /nfs/dbraw/zinc/78/58/47/284785847.db2.gz BPMRPPGGMOPIJW-HNAYVOBHSA-N 1 0 305.462 3.250 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000160205770 295612291 /nfs/dbraw/zinc/61/22/91/295612291.db2.gz KOPOPGXNOXMFMR-RISCZKNCSA-N 1 0 315.866 3.257 20 70 DGIDRO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159620161 400730131 /nfs/dbraw/zinc/73/01/31/400730131.db2.gz ZFKUBXKLAZWUEI-YOEHRIQHSA-N 1 0 304.409 3.049 20 70 DGIDRO CCOCCC1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCC1 ZINC000160579253 286044038 /nfs/dbraw/zinc/04/40/38/286044038.db2.gz NELQEIJSTMAMHT-AWEZNQCLSA-N 1 0 324.490 3.064 20 70 DGIDRO CCN(C(=O)[C@H]1CC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000159562973 164589719 /nfs/dbraw/zinc/58/97/19/164589719.db2.gz MIAUMJCOYWPDIR-YPMHNXCESA-N 1 0 314.351 3.224 20 70 DGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000161106986 287067958 /nfs/dbraw/zinc/06/79/58/287067958.db2.gz HQAJJISYTXWBFD-KBMXLJTQSA-N 1 0 307.457 3.415 20 70 DGIDRO Cc1nn(C)cc1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000159602662 228242787 /nfs/dbraw/zinc/24/27/87/228242787.db2.gz CGLQMZIQXLTZHM-UHFFFAOYSA-N 1 0 304.482 3.007 20 70 DGIDRO O=C(c1ccccc1Cc1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159853649 228243944 /nfs/dbraw/zinc/24/39/44/228243944.db2.gz JWNZTXNCPRIZQX-KDURUIRLSA-N 1 0 320.436 3.244 20 70 DGIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)C1CCOCC1 ZINC000159873009 228243949 /nfs/dbraw/zinc/24/39/49/228243949.db2.gz ISOXBHBVTCOBGS-AWEZNQCLSA-N 1 0 313.445 3.394 20 70 DGIDRO Cc1ccsc1CCCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160981244 228250041 /nfs/dbraw/zinc/25/00/41/228250041.db2.gz LQHADUKUFIRDAZ-UHFFFAOYSA-N 1 0 320.502 3.466 20 70 DGIDRO CC(C)(O)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000160611703 278649005 /nfs/dbraw/zinc/64/90/05/278649005.db2.gz IUKNCYORWBEUSJ-GFCCVEGCSA-N 1 0 314.223 3.023 20 70 DGIDRO CC(C)CCn1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000160365598 278801841 /nfs/dbraw/zinc/80/18/41/278801841.db2.gz OGLITAPOZWDQKT-CQSZACIVSA-N 1 0 323.485 3.027 20 70 DGIDRO CC(C)[C@H](CN[C@H](C)c1cscn1)NC(=O)OC(C)(C)C ZINC000218251971 432658585 /nfs/dbraw/zinc/65/85/85/432658585.db2.gz CLGZRQIDOSVZRQ-NEPJUHHUSA-N 1 0 313.467 3.343 20 70 DGIDRO C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159778221 432695728 /nfs/dbraw/zinc/69/57/28/432695728.db2.gz ONRCTRCZAFNIKR-IRXDYDNUSA-N 1 0 319.445 3.235 20 70 DGIDRO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000159826839 432697333 /nfs/dbraw/zinc/69/73/33/432697333.db2.gz YYMKHIOVCNDMMO-LJQANCHMSA-N 1 0 324.424 3.286 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159852785 432699801 /nfs/dbraw/zinc/69/98/01/432699801.db2.gz GMDZJODOCGFDCK-HUUCEWRRSA-N 1 0 306.475 3.149 20 70 DGIDRO Cc1ccc(C(=O)NC2CC[NH+](CCCOC(C)C)CC2)s1 ZINC000159892623 432699863 /nfs/dbraw/zinc/69/98/63/432699863.db2.gz TYJYVDSKMWSRGL-UHFFFAOYSA-N 1 0 324.490 3.066 20 70 DGIDRO CSCCCCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000159939707 432701664 /nfs/dbraw/zinc/70/16/64/432701664.db2.gz KBPJCZGOWKTJEF-HNNXBMFYSA-N 1 0 300.512 3.148 20 70 DGIDRO Cc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000160551284 432726176 /nfs/dbraw/zinc/72/61/76/432726176.db2.gz HJEJFLPDYOPTIA-AWEZNQCLSA-N 1 0 321.417 3.259 20 70 DGIDRO FC(F)(F)CN1CCC(CC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000159970751 432702281 /nfs/dbraw/zinc/70/22/81/432702281.db2.gz IRBDQLZRUHUQKT-UHFFFAOYSA-N 1 0 304.400 3.429 20 70 DGIDRO CC(C)([NH3+])CNC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000160014881 432704479 /nfs/dbraw/zinc/70/44/79/432704479.db2.gz CWWCMVNUFRAJQU-UHFFFAOYSA-N 1 0 308.853 3.395 20 70 DGIDRO OCC1(C[NH2+]Cc2nc(-c3ccccc3)cs2)CCCC1 ZINC000160087066 432707572 /nfs/dbraw/zinc/70/75/72/432707572.db2.gz HHLLWDUBQAGJDJ-UHFFFAOYSA-N 1 0 302.443 3.452 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000160201484 432710597 /nfs/dbraw/zinc/71/05/97/432710597.db2.gz WBHVRWODABVNCB-JQWIXIFHSA-N 1 0 302.509 3.340 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000160244306 432711344 /nfs/dbraw/zinc/71/13/44/432711344.db2.gz GKUICQGLURUWJI-QWRGUYRKSA-N 1 0 305.390 3.053 20 70 DGIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000160329799 432714899 /nfs/dbraw/zinc/71/48/99/432714899.db2.gz HSQNYKNOJCYQCD-BBRMVZONSA-N 1 0 308.853 3.119 20 70 DGIDRO Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C(N)=O)s2)cc1 ZINC000160355588 432715722 /nfs/dbraw/zinc/71/57/22/432715722.db2.gz OVGLAVLXZNARIR-HNNXBMFYSA-N 1 0 300.427 3.173 20 70 DGIDRO Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C(N)=O)s2)cc1 ZINC000160355452 432716120 /nfs/dbraw/zinc/71/61/20/432716120.db2.gz OVGLAVLXZNARIR-OAHLLOKOSA-N 1 0 300.427 3.173 20 70 DGIDRO Cc1cccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1Cl ZINC000160392113 432717286 /nfs/dbraw/zinc/71/72/86/432717286.db2.gz UFPMUYSKRQSWEL-HNNXBMFYSA-N 1 0 306.837 3.253 20 70 DGIDRO CC(C)n1cccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000160390434 432717405 /nfs/dbraw/zinc/71/74/05/432717405.db2.gz FKYZMUUMPGDMRZ-INIZCTEOSA-N 1 0 315.417 3.229 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)on1 ZINC000160403612 432718721 /nfs/dbraw/zinc/71/87/21/432718721.db2.gz RVGRAWCDTAFIJW-UONOGXRCSA-N 1 0 307.438 3.038 20 70 DGIDRO CCc1ccc(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)o1 ZINC000160419368 432718928 /nfs/dbraw/zinc/71/89/28/432718928.db2.gz CXSBNDJBXZQORJ-FPBOJHQQSA-N 1 0 304.434 3.044 20 70 DGIDRO CSc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1F ZINC000160405240 432719135 /nfs/dbraw/zinc/71/91/35/432719135.db2.gz UXWSDUUHNKRNSI-MFKMUULPSA-N 1 0 320.437 3.113 20 70 DGIDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160543197 432726645 /nfs/dbraw/zinc/72/66/45/432726645.db2.gz GCRCADLCLJDXJK-SNVBAGLBSA-N 1 0 314.307 3.070 20 70 DGIDRO c1cc2c(ncnc2N2CCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000160434717 432721188 /nfs/dbraw/zinc/72/11/88/432721188.db2.gz PJJVZZWIWWJERG-ZDUSSCGKSA-N 1 0 302.447 3.146 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)COc1cc(C)ccc1C(C)C ZINC000160446485 432722138 /nfs/dbraw/zinc/72/21/38/432722138.db2.gz GLRJAEOZNQDLOV-UHFFFAOYSA-N 1 0 306.450 3.131 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000159387868 432681575 /nfs/dbraw/zinc/68/15/75/432681575.db2.gz KXTBZYPBZSCUQE-HZPDHXFCSA-N 1 0 305.466 3.160 20 70 DGIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000159382520 432681942 /nfs/dbraw/zinc/68/19/42/432681942.db2.gz IQDYSNXHDHWYRO-OAHLLOKOSA-N 1 0 310.507 3.416 20 70 DGIDRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000159579893 432688235 /nfs/dbraw/zinc/68/82/35/432688235.db2.gz YEQLLFFSLHMZOC-OAHLLOKOSA-N 1 0 319.836 3.200 20 70 DGIDRO CC[C@@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccc(OC)cc1 ZINC000159583115 432688874 /nfs/dbraw/zinc/68/88/74/432688874.db2.gz CIADHMHSNYEOOU-KBXCAEBGSA-N 1 0 318.461 3.035 20 70 DGIDRO C[N@@H+](Cc1ccc(F)cc1Br)C[C@@H]1CCC[C@@H]1O ZINC000159626516 432689557 /nfs/dbraw/zinc/68/95/57/432689557.db2.gz QGOOTXOPMLMGQV-FZMZJTMJSA-N 1 0 316.214 3.181 20 70 DGIDRO C[N@@H+](Cc1ccc(F)cc1Br)C[C@H]1CCC[C@@H]1O ZINC000159626667 432691028 /nfs/dbraw/zinc/69/10/28/432691028.db2.gz QGOOTXOPMLMGQV-RISCZKNCSA-N 1 0 316.214 3.181 20 70 DGIDRO CCOCCC[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000159655643 432691859 /nfs/dbraw/zinc/69/18/59/432691859.db2.gz ZYWDGFDZMQOVHO-SFHVURJKSA-N 1 0 307.434 3.103 20 70 DGIDRO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc21 ZINC000160903612 432749809 /nfs/dbraw/zinc/74/98/09/432749809.db2.gz FJBNGPJLTNGQLV-CABCVRRESA-N 1 0 313.445 3.337 20 70 DGIDRO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000160966255 432751349 /nfs/dbraw/zinc/75/13/49/432751349.db2.gz GWESPBPAVOXXSU-VXGBXAGGSA-N 1 0 300.324 3.453 20 70 DGIDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccc2cc(OC)ccc2c1 ZINC000160942688 432751634 /nfs/dbraw/zinc/75/16/34/432751634.db2.gz CWLRUIWBNVCYAD-GOSISDBHSA-N 1 0 314.429 3.414 20 70 DGIDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000160988473 432752562 /nfs/dbraw/zinc/75/25/62/432752562.db2.gz SUPZFGJRBBDYLJ-ZJUUUORDSA-N 1 0 301.217 3.170 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@H](CCc1ccccc1)Cc1ccccc1 ZINC000160984598 432752922 /nfs/dbraw/zinc/75/29/22/432752922.db2.gz CHGPPPUAPLGDFY-HXUWFJFHSA-N 1 0 324.468 3.345 20 70 DGIDRO Cc1ccc(C[N@@H+](CCCS(=O)(=O)C(C)C)C(C)C)s1 ZINC000161005104 432755184 /nfs/dbraw/zinc/75/51/84/432755184.db2.gz BYPTYMIMEWDGKB-UHFFFAOYSA-N 1 0 317.520 3.480 20 70 DGIDRO CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccc2c(c1)OCCO2 ZINC000161018626 432755220 /nfs/dbraw/zinc/75/52/20/432755220.db2.gz FFECVPFGVQEBSK-SIIHOXLZSA-N 1 0 305.418 3.170 20 70 DGIDRO CCN(Cc1ccccn1)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000161055640 432755888 /nfs/dbraw/zinc/75/58/88/432755888.db2.gz UVEUSJQGHJKGHU-LISAXSMJSA-N 1 0 317.477 3.233 20 70 DGIDRO CC(C)[NH+](CCSCC(=O)NCc1cccs1)C(C)C ZINC000161059679 432756178 /nfs/dbraw/zinc/75/61/78/432756178.db2.gz FYPGZLUYWGISOE-UHFFFAOYSA-N 1 0 314.520 3.216 20 70 DGIDRO CC[C@@H]([NH2+]CCCOCc1ccc(OC)cc1)[C@@H]1CCOC1 ZINC000161093986 432760234 /nfs/dbraw/zinc/76/02/34/432760234.db2.gz XQGCFWDNOICOMI-SJLPKXTDSA-N 1 0 307.434 3.007 20 70 DGIDRO O=C(Nc1ccc(COCc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000161090396 432760315 /nfs/dbraw/zinc/76/03/15/432760315.db2.gz UWAJOTQYAKOKFF-SFHVURJKSA-N 1 0 310.397 3.094 20 70 DGIDRO CC[C@H]([NH3+])C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000161132735 432760651 /nfs/dbraw/zinc/76/06/51/432760651.db2.gz MOOWTFPORRITOQ-VIFPVBQESA-N 1 0 306.353 3.325 20 70 DGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCCOC)cc1 ZINC000161172687 432762810 /nfs/dbraw/zinc/76/28/10/432762810.db2.gz LPFPWLJQLKCUOL-WMZOPIPTSA-N 1 0 320.477 3.237 20 70 DGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000161148763 432762928 /nfs/dbraw/zinc/76/29/28/432762928.db2.gz VEPBVFUFPLPECF-LSDHHAIUSA-N 1 0 318.461 3.120 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000161176671 432764398 /nfs/dbraw/zinc/76/43/98/432764398.db2.gz JPXKALMKIPFKEX-LLVKDONJSA-N 1 0 314.376 3.230 20 70 DGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000161193672 432765538 /nfs/dbraw/zinc/76/55/38/432765538.db2.gz QRRBVPQFPOHYGF-QFBILLFUSA-N 1 0 312.461 3.397 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000161186259 432765752 /nfs/dbraw/zinc/76/57/52/432765752.db2.gz VFIKEBGIPPQYBL-YPMHNXCESA-N 1 0 312.866 3.031 20 70 DGIDRO C[C@@]1(C(=O)NCc2ccccc2OC2CCCC2)CCC[NH2+]C1 ZINC000161353459 432775033 /nfs/dbraw/zinc/77/50/33/432775033.db2.gz AAKJBBNUJQFQBK-LJQANCHMSA-N 1 0 316.445 3.014 20 70 DGIDRO CC[NH+]1CCC(NC(=O)c2cncc(-c3cccc(C)c3)c2)CC1 ZINC000161400045 432775802 /nfs/dbraw/zinc/77/58/02/432775802.db2.gz XVSAAGRYRMPHOV-UHFFFAOYSA-N 1 0 323.440 3.271 20 70 DGIDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c(F)c1 ZINC000161426858 432777800 /nfs/dbraw/zinc/77/78/00/432777800.db2.gz LIKOKPCVEZOAOA-HIFRSBDPSA-N 1 0 303.377 3.261 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2ccc(F)cc2)CC1 ZINC000161424987 432778212 /nfs/dbraw/zinc/77/82/12/432778212.db2.gz HPPOYYDROCIUGG-UHFFFAOYSA-N 1 0 306.425 3.140 20 70 DGIDRO Clc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161406250 432778356 /nfs/dbraw/zinc/77/83/56/432778356.db2.gz WMLMMKRTIMMZBH-CQSZACIVSA-N 1 0 316.836 3.257 20 70 DGIDRO COc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1F ZINC000161457715 432779052 /nfs/dbraw/zinc/77/90/52/432779052.db2.gz OBAQTJWAEGRVSN-XJKSGUPXSA-N 1 0 303.377 3.261 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCc2ccc3ccccc3c2)CC1 ZINC000161440183 432780149 /nfs/dbraw/zinc/78/01/49/432780149.db2.gz ZILHLUNHTKUPJV-UHFFFAOYSA-N 1 0 310.441 3.419 20 70 DGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000160561752 432729086 /nfs/dbraw/zinc/72/90/86/432729086.db2.gz UHLWLTMVUYMBQS-GJZGRUSLSA-N 1 0 306.450 3.068 20 70 DGIDRO CCCNC(=O)c1cccc(CN[C@H](C)c2cncs2)c1 ZINC000160587940 432731016 /nfs/dbraw/zinc/73/10/16/432731016.db2.gz KNPKAZCSIYGPJE-GFCCVEGCSA-N 1 0 303.431 3.134 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000160769971 432740130 /nfs/dbraw/zinc/74/01/30/432740130.db2.gz OQKOCYSGMHHCIN-UWVAXJGDSA-N 1 0 316.489 3.302 20 70 DGIDRO CC[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000160799871 432743015 /nfs/dbraw/zinc/74/30/15/432743015.db2.gz GQQFEUGCBNJJEU-ULQDDVLXSA-N 1 0 306.425 3.308 20 70 DGIDRO CCS[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000159409303 292792519 /nfs/dbraw/zinc/79/25/19/292792519.db2.gz BKOUUHVODMLPRS-ZIAGYGMSSA-N 1 0 306.466 3.370 20 70 DGIDRO CC1CCC(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)CC1 ZINC000159604005 292796327 /nfs/dbraw/zinc/79/63/27/292796327.db2.gz VQFMYFHTCSFBLW-VMBOVVBDSA-N 1 0 309.475 3.188 20 70 DGIDRO CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1(C)C ZINC000159782068 292800006 /nfs/dbraw/zinc/80/00/06/292800006.db2.gz MYNWFCUUWPEFRL-LSDHHAIUSA-N 1 0 318.452 3.289 20 70 DGIDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160534789 292817111 /nfs/dbraw/zinc/81/71/11/292817111.db2.gz HOPDYQPJVHJIEE-LESCRADOSA-N 1 0 318.461 3.107 20 70 DGIDRO CC(C)[NH+](CCNC(=O)[C@H](C)c1c(F)cccc1F)C(C)C ZINC000160929155 292824777 /nfs/dbraw/zinc/82/47/77/292824777.db2.gz AHOITIYIASFQNI-CYBMUJFWSA-N 1 0 312.404 3.303 20 70 DGIDRO CC(C)(CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)Cc1ccccc1 ZINC000161076029 292827322 /nfs/dbraw/zinc/82/73/22/292827322.db2.gz VPQLWZAMKLLLMX-LJQANCHMSA-N 1 0 322.452 3.086 20 70 DGIDRO COC[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C)C1CC1 ZINC000161049357 293167440 /nfs/dbraw/zinc/16/74/40/293167440.db2.gz MXBWEYDPEYFGEZ-YJBOKZPZSA-N 1 0 305.418 3.170 20 70 DGIDRO CC(C)[C@@H](CO)[N@H+](Cc1cnc2ccccn12)Cc1ccccc1 ZINC000160468054 519795339 /nfs/dbraw/zinc/79/53/39/519795339.db2.gz ZFJVXYJNIFGJOD-LJQANCHMSA-N 1 0 323.440 3.353 20 70 DGIDRO CCC[C@@H]1CCCN(C(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000161446470 520824422 /nfs/dbraw/zinc/82/44/22/520824422.db2.gz PGQOHOKVWBUVJJ-OAHLLOKOSA-N 1 0 303.450 3.065 20 70 DGIDRO CC[C@H](C)N(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160320225 523912074 /nfs/dbraw/zinc/91/20/74/523912074.db2.gz LODCJWSQPAUUFN-YQQAZPJKSA-N 1 0 303.450 3.089 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000160357644 525641494 /nfs/dbraw/zinc/64/14/94/525641494.db2.gz RHOQOBJPGKMULH-CMPLNLGQSA-N 1 0 305.390 3.053 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000160411727 525700715 /nfs/dbraw/zinc/70/07/15/525700715.db2.gz OASULHXOQSDAPU-PWSUYJOCSA-N 1 0 323.380 3.350 20 70 DGIDRO CC(C)c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000159701527 528070482 /nfs/dbraw/zinc/07/04/82/528070482.db2.gz SZJDKWUNVINVTQ-SFHVURJKSA-N 1 0 311.429 3.238 20 70 DGIDRO CC[NH+]1CCC(N(C)C(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000161454928 528971323 /nfs/dbraw/zinc/97/13/23/528971323.db2.gz BKDLNWSWHKENOC-UHFFFAOYSA-N 1 0 311.429 3.100 20 70 DGIDRO Cc1nccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1Cl ZINC000159594380 546055139 /nfs/dbraw/zinc/05/51/39/546055139.db2.gz UJYZZSUHPJHQGC-NWDGAFQWSA-N 1 0 324.856 3.285 20 70 DGIDRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000159821071 546056177 /nfs/dbraw/zinc/05/61/77/546056177.db2.gz KIAAQTRSNVQFGD-RDJZCZTQSA-N 1 0 300.446 3.437 20 70 DGIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccnc(C)c2Cl)C1 ZINC000159833783 546056365 /nfs/dbraw/zinc/05/63/65/546056365.db2.gz XVOTXBUVHBKYGY-CYBMUJFWSA-N 1 0 324.856 3.239 20 70 DGIDRO O=C1[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CCN1C1CCCCC1 ZINC000160141697 546058139 /nfs/dbraw/zinc/05/81/39/546058139.db2.gz JHVKZCKFYQANPB-QZTJIDSGSA-N 1 0 316.420 3.336 20 70 DGIDRO CC1(C)CC[C@H]([NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000160188761 546059394 /nfs/dbraw/zinc/05/93/94/546059394.db2.gz HFLIPCVJTQPIEQ-JSGCOSHPSA-N 1 0 311.422 3.213 20 70 DGIDRO C[C@@H](CC(=O)NCCCCC[NH+]1CCCCC1)c1ccncc1 ZINC000160543537 546060832 /nfs/dbraw/zinc/06/08/32/546060832.db2.gz MVFZFEVSSLUNLM-KRWDZBQOSA-N 1 0 317.477 3.348 20 70 DGIDRO COc1ccc2sc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c(C)c2c1 ZINC000160858591 546062674 /nfs/dbraw/zinc/06/26/74/546062674.db2.gz KGCJXXFFGCNHAC-NEPJUHHUSA-N 1 0 318.442 3.218 20 70 DGIDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)oc2c1c(C)ccc2C ZINC000160861289 546063007 /nfs/dbraw/zinc/06/30/07/546063007.db2.gz CPSSSTABLLGCPV-KGLIPLIRSA-N 1 0 300.402 3.358 20 70 DGIDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000161205985 546065696 /nfs/dbraw/zinc/06/56/96/546065696.db2.gz LWXGBSISFMNRKE-ZDUSSCGKSA-N 1 0 306.406 3.384 20 70 DGIDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000161205865 546065974 /nfs/dbraw/zinc/06/59/74/546065974.db2.gz LWXGBSISFMNRKE-CYBMUJFWSA-N 1 0 306.406 3.384 20 70 DGIDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000161209767 546066035 /nfs/dbraw/zinc/06/60/35/546066035.db2.gz JWGJHMMGYTUACB-YPMHNXCESA-N 1 0 306.406 3.288 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCSc2ccc(Cl)cc2)C1 ZINC000161169126 546066190 /nfs/dbraw/zinc/06/61/90/546066190.db2.gz NNOKFMUIQQKMPP-STQMWFEESA-N 1 0 312.866 3.208 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2ccccc2-c2ccccc2)C1 ZINC000161168754 546066305 /nfs/dbraw/zinc/06/63/05/546066305.db2.gz INICZESVNJDFFK-SJORKVTESA-N 1 0 324.424 3.119 20 70 DGIDRO Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000161302984 546067446 /nfs/dbraw/zinc/06/74/46/546067446.db2.gz DCKATUOQDLBPTP-MRXNPFEDSA-N 1 0 301.434 3.280 20 70 DGIDRO CC(C)c1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000161432964 546068965 /nfs/dbraw/zinc/06/89/65/546068965.db2.gz UQZMFKHCMPTHSE-KBPBESRZSA-N 1 0 311.429 3.358 20 70 DGIDRO CC(C)CCC[C@@H](C)NC(=O)CN1CCC[C@@H]1c1cccn1C ZINC000216723488 546262723 /nfs/dbraw/zinc/26/27/23/546262723.db2.gz UKOHENKMKGYITP-SJLPKXTDSA-N 1 0 319.493 3.493 20 70 DGIDRO Cc1ccc(C[NH2+]CCN(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000218191112 627104691 /nfs/dbraw/zinc/10/46/91/627104691.db2.gz PEGMUPBUYHJOFN-UHFFFAOYSA-N 1 0 304.434 3.484 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)CC2 ZINC000160450959 282118795 /nfs/dbraw/zinc/11/87/95/282118795.db2.gz CLNAPXGFKQWBEB-PWSUYJOCSA-N 1 0 324.350 3.271 20 70 DGIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000160125327 529689712 /nfs/dbraw/zinc/68/97/12/529689712.db2.gz CXBQKQDITCXZRD-HOTGVXAUSA-N 1 0 300.450 3.253 20 70 DGIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cnn(Cc2ccccc2)c1 ZINC000159624178 186131531 /nfs/dbraw/zinc/13/15/31/186131531.db2.gz FIRHHTLJDPRPBC-RHSMWYFYSA-N 1 0 301.459 3.478 20 70 DGIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1cnn(Cc2ccccc2)c1 ZINC000159624280 186131548 /nfs/dbraw/zinc/13/15/48/186131548.db2.gz FIRHHTLJDPRPBC-YOEHRIQHSA-N 1 0 301.459 3.478 20 70 DGIDRO COc1ccc([C@@H]([NH2+]CCc2cnn(C)c2)c2ccccc2)cc1 ZINC000159756425 186139863 /nfs/dbraw/zinc/13/98/63/186139863.db2.gz KSCKCMWDKWMKEP-FQEVSTJZSA-N 1 0 321.424 3.350 20 70 DGIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)C[C@H](C)C2CC[NH2+]CC2)c1 ZINC000161350097 197487156 /nfs/dbraw/zinc/48/71/56/197487156.db2.gz VILSMIQMHWGTDD-DLBZAZTESA-N 1 0 316.489 3.376 20 70 DGIDRO [NH3+]C[C@H]1CCCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000160284020 197397515 /nfs/dbraw/zinc/39/75/15/197397515.db2.gz HJZHHJRPDMIUTR-GFCCVEGCSA-N 1 0 315.244 3.266 20 70 DGIDRO C[NH+](C)CCCNCc1ccc(Br)c2cccnc12 ZINC000160306315 197399412 /nfs/dbraw/zinc/39/94/12/197399412.db2.gz DPSCLIMTPZGODB-UHFFFAOYSA-N 1 0 322.250 3.039 20 70 DGIDRO C[C@H]1CCC[C@](CNc2nnc(C(F)(F)F)s2)([NH+](C)C)C1 ZINC000160162261 197390202 /nfs/dbraw/zinc/39/02/02/197390202.db2.gz XJPAUSQSQFBLFF-CABZTGNLSA-N 1 0 322.400 3.479 20 70 DGIDRO CC(C)([NH3+])CNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000160041828 197382067 /nfs/dbraw/zinc/38/20/67/197382067.db2.gz KFIRRFOHEAQOEQ-UHFFFAOYSA-N 1 0 324.424 3.170 20 70 DGIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cncc(F)c1 ZINC000160135003 197388315 /nfs/dbraw/zinc/38/83/15/197388315.db2.gz OAUOGGGFRSTPIQ-CYBMUJFWSA-N 1 0 305.372 3.142 20 70 DGIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(C)[nH]c3ccc(Cl)cc32)C1 ZINC000160125747 197387678 /nfs/dbraw/zinc/38/76/78/197387678.db2.gz XCTCSWXDEKILFS-GFCCVEGCSA-N 1 0 319.836 3.201 20 70 DGIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc([S@@](C)=O)cc1 ZINC000160037166 197380688 /nfs/dbraw/zinc/38/06/88/197380688.db2.gz OHPZMLYWNDMUJE-PKQAIAMASA-N 1 0 323.483 3.044 20 70 DGIDRO Cc1cc(F)ccc1-c1ccc(C(=O)NCC(C)(C)[NH3+])cc1F ZINC000160026304 197380525 /nfs/dbraw/zinc/38/05/25/197380525.db2.gz OHGWXXXHEXVWHX-UHFFFAOYSA-N 1 0 318.367 3.407 20 70 DGIDRO Cc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc(Cl)n1 ZINC000159984106 197378168 /nfs/dbraw/zinc/37/81/68/197378168.db2.gz OHOSNDNRIJJSSU-UHFFFAOYSA-N 1 0 317.820 3.035 20 70 DGIDRO COc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000159856093 197369464 /nfs/dbraw/zinc/36/94/64/197369464.db2.gz DOIFITGRVPOJOV-UHFFFAOYSA-N 1 0 322.412 3.123 20 70 DGIDRO CCc1oc2ccccc2c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159768922 197362566 /nfs/dbraw/zinc/36/25/66/197362566.db2.gz PFEQVWRSUVBMGK-UHFFFAOYSA-N 1 0 300.402 3.083 20 70 DGIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H](C)SC ZINC000159760252 197362576 /nfs/dbraw/zinc/36/25/76/197362576.db2.gz NLQSLQRIIIBALG-CQSZACIVSA-N 1 0 324.490 3.487 20 70 DGIDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000218170882 284785790 /nfs/dbraw/zinc/78/57/90/284785790.db2.gz BPMRPPGGMOPIJW-BEFAXECRSA-N 1 0 305.462 3.250 20 70 DGIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000160605449 532955637 /nfs/dbraw/zinc/95/56/37/532955637.db2.gz GWFOXULVPHPJGF-MRXNPFEDSA-N 1 0 320.864 3.362 20 70 DGIDRO CCc1ccc([C@H](C)CC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000159514104 400729956 /nfs/dbraw/zinc/72/99/56/400729956.db2.gz DOKJMLONLHGYJG-WBVHZDCISA-N 1 0 302.462 3.201 20 70 DGIDRO CCc1ccc(CC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000161197154 400738737 /nfs/dbraw/zinc/73/87/37/400738737.db2.gz UMGYXIYFOGQKKV-UHFFFAOYSA-N 1 0 302.462 3.171 20 70 DGIDRO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000161425567 400739805 /nfs/dbraw/zinc/73/98/05/400739805.db2.gz UTUDFLDYFPVGAN-BPAFIMBUSA-N 1 0 320.436 3.278 20 70 DGIDRO CCS[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159421482 286711950 /nfs/dbraw/zinc/71/19/50/286711950.db2.gz GKFFAVNHWIRYDL-LSDHHAIUSA-N 1 0 315.527 3.032 20 70 DGIDRO CCCO[C@H]1CCC[N@H+](Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000217005561 165376292 /nfs/dbraw/zinc/37/62/92/165376292.db2.gz XZZTWWWFRRSOCT-AWEZNQCLSA-N 1 0 309.406 3.156 20 70 DGIDRO CC[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1 ZINC000216642039 165376658 /nfs/dbraw/zinc/37/66/58/165376658.db2.gz BMVKDADCRIFLKB-RBUKOAKNSA-N 1 0 304.478 3.393 20 70 DGIDRO C/C(=C/C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000160263799 277726973 /nfs/dbraw/zinc/72/69/73/277726973.db2.gz ZXTKVSYVMLENPC-UCQJPZFISA-N 1 0 312.335 3.058 20 70 DGIDRO CCn1cc([C@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)cn1 ZINC000159865179 281631531 /nfs/dbraw/zinc/63/15/31/281631531.db2.gz KZWSBMPEOPJHQY-KGLIPLIRSA-N 1 0 318.490 3.062 20 70 DGIDRO Cc1ccc(CCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000217225109 432654897 /nfs/dbraw/zinc/65/48/97/432654897.db2.gz WHYXDYDIKHQIMN-QGZVFWFLSA-N 1 0 317.477 3.101 20 70 DGIDRO COc1ccc2cc(C[NH2+]C[C@](C)(O)CSC)ccc2c1 ZINC000217843801 432657129 /nfs/dbraw/zinc/65/71/29/432657129.db2.gz YMJZUFPMDZOARQ-KRWDZBQOSA-N 1 0 305.443 3.052 20 70 DGIDRO C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cscn1 ZINC000218246026 432657944 /nfs/dbraw/zinc/65/79/44/432657944.db2.gz JGZUCRJSPCWZTF-NWDGAFQWSA-N 1 0 311.451 3.193 20 70 DGIDRO CC(C)(C)OC(=O)NC1CCC([NH2+]CCc2ccco2)CC1 ZINC000218094989 432658066 /nfs/dbraw/zinc/65/80/66/432658066.db2.gz XIQDUQJVIYZLFB-UHFFFAOYSA-N 1 0 308.422 3.248 20 70 DGIDRO C[C@@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cscn1 ZINC000218245845 432658396 /nfs/dbraw/zinc/65/83/96/432658396.db2.gz JGZUCRJSPCWZTF-NEPJUHHUSA-N 1 0 311.451 3.193 20 70 DGIDRO CC(C)(C)OC(=O)NCCNCc1csc(C(C)(C)C)n1 ZINC000218174411 432658548 /nfs/dbraw/zinc/65/85/48/432658548.db2.gz KQFNKUPOTXUAML-UHFFFAOYSA-N 1 0 313.467 3.055 20 70 DGIDRO C[C@H]1CN(Cc2ncc(-c3ccccc3F)o2)CC(C)(C)O1 ZINC000159665520 432692441 /nfs/dbraw/zinc/69/24/41/432692441.db2.gz MNSVPYXUBGWOQS-LBPRGKRZSA-N 1 0 304.365 3.480 20 70 DGIDRO CCSCC[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000159654721 432692634 /nfs/dbraw/zinc/69/26/34/432692634.db2.gz YMNBVSNUZRPIIC-KRWDZBQOSA-N 1 0 309.475 3.429 20 70 DGIDRO O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159748135 432696252 /nfs/dbraw/zinc/69/62/52/432696252.db2.gz ZNHUSNUDCZFCKS-MSOLQXFVSA-N 1 0 304.478 3.193 20 70 DGIDRO CC(C)N(C(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1)C(C)C ZINC000159800378 432697429 /nfs/dbraw/zinc/69/74/29/432697429.db2.gz GBVZEHYDZOBFLN-MRXNPFEDSA-N 1 0 319.493 3.218 20 70 DGIDRO FC(F)(F)CN1CC[C@@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000159817464 432697922 /nfs/dbraw/zinc/69/79/22/432697922.db2.gz ICZVXOAOACSMCE-LBPRGKRZSA-N 1 0 312.335 3.407 20 70 DGIDRO Cc1cccc([C@H](C)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000159874369 432699122 /nfs/dbraw/zinc/69/91/22/432699122.db2.gz WZYNCJKXRPUQCM-ULQDDVLXSA-N 1 0 302.462 3.335 20 70 DGIDRO C[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)N1CCc2sccc2C1 ZINC000159875770 432699698 /nfs/dbraw/zinc/69/96/98/432699698.db2.gz XUGSJMXCDBDHGB-BBRMVZONSA-N 1 0 322.518 3.430 20 70 DGIDRO CN(C)c1cccc(C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)c1 ZINC000159852717 432700212 /nfs/dbraw/zinc/70/02/12/432700212.db2.gz OHVSDLFBXQDSQW-UHFFFAOYSA-N 1 0 321.424 3.226 20 70 DGIDRO CC(C)([NH3+])CNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000159949053 432702504 /nfs/dbraw/zinc/70/25/04/432702504.db2.gz FSWRUGIMEXHLAY-UHFFFAOYSA-N 1 0 322.861 3.439 20 70 DGIDRO C[C@H](Cc1ccccc1F)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160059111 432705642 /nfs/dbraw/zinc/70/56/42/432705642.db2.gz ILHHJIYZUAOHEM-OAHLLOKOSA-N 1 0 320.452 3.337 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160074380 432705956 /nfs/dbraw/zinc/70/59/56/432705956.db2.gz STIFLLAIBYNJOK-KBPBESRZSA-N 1 0 317.477 3.297 20 70 DGIDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](CC)[C@@H]2CCOC2)cc1 ZINC000160115664 432706388 /nfs/dbraw/zinc/70/63/88/432706388.db2.gz IZQWUOSCLGOBRB-MSOLQXFVSA-N 1 0 318.461 3.121 20 70 DGIDRO CCOCCC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000160102022 432706600 /nfs/dbraw/zinc/70/66/00/432706600.db2.gz CMJPVWWGECDWMQ-UHFFFAOYSA-N 1 0 301.434 3.368 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000160244694 432711741 /nfs/dbraw/zinc/71/17/41/432711741.db2.gz GKUICQGLURUWJI-GHMZBOCLSA-N 1 0 305.390 3.053 20 70 DGIDRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000160220452 432712120 /nfs/dbraw/zinc/71/21/20/432712120.db2.gz KSFXZKFAKALJHD-LSDHHAIUSA-N 1 0 322.399 3.061 20 70 DGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc3c2OCCO3)n1 ZINC000160262593 432713186 /nfs/dbraw/zinc/71/31/86/432713186.db2.gz CVBVTKHGWKSVCC-KRWDZBQOSA-N 1 0 310.397 3.498 20 70 DGIDRO CC[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)Oc1ccccc1F ZINC000160338506 432716307 /nfs/dbraw/zinc/71/63/07/432716307.db2.gz YODPGMGJHRKPTC-XJKSGUPXSA-N 1 0 317.408 3.384 20 70 DGIDRO CSc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1F ZINC000160404844 432719601 /nfs/dbraw/zinc/71/96/01/432719601.db2.gz UXWSDUUHNKRNSI-GXFFZTMASA-N 1 0 320.437 3.113 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)CC2 ZINC000160450564 432720986 /nfs/dbraw/zinc/72/09/86/432720986.db2.gz CLNAPXGFKQWBEB-CMPLNLGQSA-N 1 0 324.350 3.271 20 70 DGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC000160444690 432721704 /nfs/dbraw/zinc/72/17/04/432721704.db2.gz YIIPKMNADUCZHY-UHFFFAOYSA-N 1 0 312.413 3.294 20 70 DGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000160448049 432721929 /nfs/dbraw/zinc/72/19/29/432721929.db2.gz NFGDNDSFQNJFPN-UHFFFAOYSA-N 1 0 315.413 3.352 20 70 DGIDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(OC(F)F)c1 ZINC000160455768 432721972 /nfs/dbraw/zinc/72/19/72/432721972.db2.gz JEUBIWBGEBDRDF-GFCCVEGCSA-N 1 0 315.360 3.344 20 70 DGIDRO C[C@H](C(=O)NCCc1cc2ccccc2o1)[C@H]([NH3+])c1ccccc1 ZINC000160487362 432722590 /nfs/dbraw/zinc/72/25/90/432722590.db2.gz ATPGHCQFVBAUDY-LIRRHRJNSA-N 1 0 322.408 3.428 20 70 DGIDRO C[C@@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)CCN1C ZINC000160492014 432722621 /nfs/dbraw/zinc/72/26/21/432722621.db2.gz MTPFCDVLFOXNSO-TZMCWYRMSA-N 1 0 316.367 3.157 20 70 DGIDRO CCN(CC[NH2+][C@H](C)c1cnn(C(C)C)c1)C(=O)OC(C)(C)C ZINC000159502140 432684741 /nfs/dbraw/zinc/68/47/41/432684741.db2.gz DUFDGEWOBGBPFH-CQSZACIVSA-N 1 0 324.469 3.372 20 70 DGIDRO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000159567794 432686776 /nfs/dbraw/zinc/68/67/76/432686776.db2.gz XLEPJGNDAUVDDG-LLVKDONJSA-N 1 0 316.323 3.017 20 70 DGIDRO C[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1cccc(F)c1 ZINC000159629754 432689702 /nfs/dbraw/zinc/68/97/02/432689702.db2.gz OBKKGVDQQXDGPI-CQSZACIVSA-N 1 0 306.425 3.358 20 70 DGIDRO O=c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc2ccc(Cl)cn12 ZINC000159611577 432690622 /nfs/dbraw/zinc/69/06/22/432690622.db2.gz ZIRACAYYPLLEFI-WFASDCNBSA-N 1 0 317.820 3.112 20 70 DGIDRO c1cc2c(cc1C1([NH2+]CCOCC3CC3)CCCC1)OCCO2 ZINC000159699998 432691652 /nfs/dbraw/zinc/69/16/52/432691652.db2.gz SUPRRACHXMRUTB-UHFFFAOYSA-N 1 0 317.429 3.243 20 70 DGIDRO CC(C)C[C@H]1COCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159679242 432692023 /nfs/dbraw/zinc/69/20/23/432692023.db2.gz IVOMHEJTNSZALF-KRWDZBQOSA-N 1 0 324.509 3.018 20 70 DGIDRO Fc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000160891738 432747078 /nfs/dbraw/zinc/74/70/78/432747078.db2.gz APKYCWZOJYLWSA-JTQLQIEISA-N 1 0 324.749 3.453 20 70 DGIDRO CCn1cc([C@@H](C)[NH2+]C[C@H](C)N(C)Cc2ccccc2)cn1 ZINC000160872805 432747750 /nfs/dbraw/zinc/74/77/50/432747750.db2.gz SJJBMQBSCBJMSA-JKSUJKDBSA-N 1 0 300.450 3.074 20 70 DGIDRO C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000161493208 432782079 /nfs/dbraw/zinc/78/20/79/432782079.db2.gz HPANMQRLYBWREY-HUUCEWRRSA-N 1 0 318.486 3.248 20 70 DGIDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160935332 432751298 /nfs/dbraw/zinc/75/12/98/432751298.db2.gz FSWRCLLHAOIERN-HNNXBMFYSA-N 1 0 309.475 3.456 20 70 DGIDRO Cc1nc(-c2cc([C@@H](C)[NH2+]CC(=O)NC(C)C)cs2)cs1 ZINC000160949548 432751564 /nfs/dbraw/zinc/75/15/64/432751564.db2.gz LJFWWFDYKUVXLH-SNVBAGLBSA-N 1 0 323.487 3.355 20 70 DGIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160988855 432752825 /nfs/dbraw/zinc/75/28/25/432752825.db2.gz FOQNPOVOGZQWEU-GZMMTYOYSA-N 1 0 321.273 3.251 20 70 DGIDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000160980500 432753102 /nfs/dbraw/zinc/75/31/02/432753102.db2.gz GEJKHOVERCXABW-LBPRGKRZSA-N 1 0 317.458 3.294 20 70 DGIDRO CC[C@H](C(=O)Nc1nc(-c2ccccc2F)cs1)[NH+](C)C ZINC000160996800 432753162 /nfs/dbraw/zinc/75/31/62/432753162.db2.gz KJRZQKCRGQYLEX-CYBMUJFWSA-N 1 0 307.394 3.228 20 70 DGIDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000160988336 432753166 /nfs/dbraw/zinc/75/31/66/432753166.db2.gz SUPZFGJRBBDYLJ-UWVGGRQHSA-N 1 0 301.217 3.170 20 70 DGIDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC(=O)NC(C)C ZINC000160974511 432753359 /nfs/dbraw/zinc/75/33/59/432753359.db2.gz SWAVXMYIVWYOPM-INIZCTEOSA-N 1 0 316.470 3.455 20 70 DGIDRO COc1ccc(OC)c([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161015833 432754014 /nfs/dbraw/zinc/75/40/14/432754014.db2.gz AOSOFSNDKUOAHB-ZNMIVQPWSA-N 1 0 306.450 3.227 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)CCc2ccc(C)cc2C)CC1 ZINC000161014761 432754031 /nfs/dbraw/zinc/75/40/31/432754031.db2.gz YMXZZXUYPMLLDM-UHFFFAOYSA-N 1 0 302.462 3.084 20 70 DGIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCCc3c2cnn3C)C1 ZINC000161025075 432754525 /nfs/dbraw/zinc/75/45/25/432754525.db2.gz SHXDRUSMEKATCY-NVXWUHKLSA-N 1 0 318.509 3.288 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014198 432754834 /nfs/dbraw/zinc/75/48/34/432754834.db2.gz RYMYORVAPYQTSR-URLQWDBASA-N 1 0 318.461 3.227 20 70 DGIDRO COC[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(C)C ZINC000161143663 432761861 /nfs/dbraw/zinc/76/18/61/432761861.db2.gz KZHZGLLJKUUNSG-MAUKXSAKSA-N 1 0 305.418 3.170 20 70 DGIDRO COC(=O)[C@H](c1cccnc1)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000161126554 432762177 /nfs/dbraw/zinc/76/21/77/432762177.db2.gz YTMCDIYDLKBLEE-JLSDUUJJSA-N 1 0 310.397 3.174 20 70 DGIDRO C[C@H](c1ccccn1)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161190270 432764876 /nfs/dbraw/zinc/76/48/76/432764876.db2.gz CDVCJKSUJLYKMW-OAHLLOKOSA-N 1 0 317.477 3.359 20 70 DGIDRO CCC(CC)n1ncc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1C ZINC000161173552 432764968 /nfs/dbraw/zinc/76/49/68/432764968.db2.gz XMPYQXXXYFKHSF-OAHLLOKOSA-N 1 0 322.497 3.259 20 70 DGIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000161401542 432775911 /nfs/dbraw/zinc/77/59/11/432775911.db2.gz HJFXHBACBGDXEX-RDTXWAMCSA-N 1 0 312.413 3.072 20 70 DGIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(Cl)s1 ZINC000160539265 432727687 /nfs/dbraw/zinc/72/76/87/432727687.db2.gz JTJDGNJTMZAYAU-GHMZBOCLSA-N 1 0 310.854 3.357 20 70 DGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000160561638 432728587 /nfs/dbraw/zinc/72/85/87/432728587.db2.gz UHLWLTMVUYMBQS-CABCVRRESA-N 1 0 306.450 3.068 20 70 DGIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCCC2=O)cc1 ZINC000160612263 432731690 /nfs/dbraw/zinc/73/16/90/432731690.db2.gz ZHIXXUJEQCATJE-LESCRADOSA-N 1 0 316.445 3.015 20 70 DGIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1ccc(F)cc1F ZINC000160756423 432739508 /nfs/dbraw/zinc/73/95/08/432739508.db2.gz RMLBCUPKHKEVOA-ZIAGYGMSSA-N 1 0 324.415 3.134 20 70 DGIDRO C[C@H](CC(=O)N1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000160824076 432743596 /nfs/dbraw/zinc/74/35/96/432743596.db2.gz FGBZTGGXZSTKJG-GFCCVEGCSA-N 1 0 314.351 3.021 20 70 DGIDRO C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159708108 292798890 /nfs/dbraw/zinc/79/88/90/292798890.db2.gz VXJIQEAHBXYACP-WBVHZDCISA-N 1 0 309.498 3.329 20 70 DGIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000160333877 292812062 /nfs/dbraw/zinc/81/20/62/292812062.db2.gz OYHBGVPUJXDHQR-CYBMUJFWSA-N 1 0 310.869 3.223 20 70 DGIDRO Cc1nc2ccccn2c1C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000160517938 292816217 /nfs/dbraw/zinc/81/62/17/292816217.db2.gz DCMGVYVRUQTCEB-IFXJQAMLSA-N 1 0 315.461 3.310 20 70 DGIDRO CC(C)COCC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160710863 292820632 /nfs/dbraw/zinc/82/06/32/292820632.db2.gz LYIUUOAKWRSQHZ-MRXNPFEDSA-N 1 0 301.434 3.255 20 70 DGIDRO Cc1cccc([C@H]2CCCCCN2C(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000160984832 302034355 /nfs/dbraw/zinc/03/43/55/302034355.db2.gz MCIBEYFSIACVAS-ZWKOTPCHSA-N 1 0 300.446 3.438 20 70 DGIDRO CC[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cnn(C)c1 ZINC000160587672 522830454 /nfs/dbraw/zinc/83/04/54/522830454.db2.gz PGBPGFJLUDAHLD-CQSZACIVSA-N 1 0 318.490 3.429 20 70 DGIDRO O=C(c1ccc(Oc2ccccc2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160379306 534718471 /nfs/dbraw/zinc/71/84/71/534718471.db2.gz GSVZNVOPMRIZAR-CALCHBBNSA-N 1 0 322.408 3.445 20 70 DGIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160363499 524604918 /nfs/dbraw/zinc/60/49/18/524604918.db2.gz RMXNDJZVROKPAK-NWANDNLSSA-N 1 0 322.399 3.059 20 70 DGIDRO C[C@@H](Cc1ccccc1F)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159398964 524918459 /nfs/dbraw/zinc/91/84/59/524918459.db2.gz METYVFVGOBZAPF-DOTOQJQBSA-N 1 0 318.436 3.091 20 70 DGIDRO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1cccnc1 ZINC000161415497 525325077 /nfs/dbraw/zinc/32/50/77/525325077.db2.gz YCJLSBZYPPJYOG-AWEZNQCLSA-N 1 0 303.450 3.017 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000160249634 525642968 /nfs/dbraw/zinc/64/29/68/525642968.db2.gz FVRCYCPUULOCQO-ZYHUDNBSSA-N 1 0 305.390 3.053 20 70 DGIDRO CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000159669159 526683652 /nfs/dbraw/zinc/68/36/52/526683652.db2.gz YZXQOWHODRXCEX-WCXIOVBPSA-N 1 0 324.509 3.242 20 70 DGIDRO CCC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12)C1CC1 ZINC000160910614 527909476 /nfs/dbraw/zinc/90/94/76/527909476.db2.gz NHFMEWLCCBNPEO-UHFFFAOYSA-N 1 0 314.385 3.012 20 70 DGIDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000159450672 546053024 /nfs/dbraw/zinc/05/30/24/546053024.db2.gz XSHDSJUMKIQSTF-INIZCTEOSA-N 1 0 321.428 3.172 20 70 DGIDRO CCCCOc1ccc(C[NH2+]Cc2ccnn2CC)cc1OC ZINC000159993134 546057152 /nfs/dbraw/zinc/05/71/52/546057152.db2.gz KKIXQEDPMMUIDF-UHFFFAOYSA-N 1 0 317.433 3.380 20 70 DGIDRO Cc1cc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)oc1C ZINC000160120157 546058516 /nfs/dbraw/zinc/05/85/16/546058516.db2.gz XWQNFJMZQCJNFM-UHFFFAOYSA-N 1 0 316.401 3.479 20 70 DGIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000160144960 546058537 /nfs/dbraw/zinc/05/85/37/546058537.db2.gz XTRGMMRKDCCBJS-SNVBAGLBSA-N 1 0 321.833 3.027 20 70 DGIDRO C[C@H](CCO)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160333415 546059844 /nfs/dbraw/zinc/05/98/44/546059844.db2.gz FAMKCKUNIXOLQM-LLVKDONJSA-N 1 0 323.234 3.105 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000160772861 546062903 /nfs/dbraw/zinc/06/29/03/546062903.db2.gz NISRYGMWIVEZKM-ZIAGYGMSSA-N 1 0 309.413 3.112 20 70 DGIDRO CCCCCOc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160970328 546063672 /nfs/dbraw/zinc/06/36/72/546063672.db2.gz PDUWVRGFIQKMSU-HOTGVXAUSA-N 1 0 304.434 3.255 20 70 DGIDRO CCSc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161004052 546064488 /nfs/dbraw/zinc/06/44/88/546064488.db2.gz RXIKIHQCPJOYDT-NEPJUHHUSA-N 1 0 312.866 3.452 20 70 DGIDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000161201385 546066158 /nfs/dbraw/zinc/06/61/58/546066158.db2.gz MJRSQOGVEZPLTN-ZWNOBZJWSA-N 1 0 306.406 3.382 20 70 DGIDRO COC[C@H]([NH2+][C@@H](C)Cc1cccc(Br)c1)C1CC1 ZINC000161410183 546068351 /nfs/dbraw/zinc/06/83/51/546068351.db2.gz MUYPCISDSLFLSD-NHYWBVRUSA-N 1 0 312.251 3.395 20 70 DGIDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCNC(=O)OC(C)(C)C ZINC000218143790 627104206 /nfs/dbraw/zinc/10/42/06/627104206.db2.gz OZADMFCOWKESNP-LBPRGKRZSA-N 1 0 312.841 3.385 20 70 DGIDRO CC(C)(C)OC(=O)N(CC[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000218190435 627104517 /nfs/dbraw/zinc/10/45/17/627104517.db2.gz TWQKLSJSYDWOGG-UHFFFAOYSA-N 1 0 308.397 3.315 20 70 DGIDRO CC(C)(C)OC(=O)N(CC[NH2+]Cc1cccc(F)c1)C1CC1 ZINC000218190907 627104570 /nfs/dbraw/zinc/10/45/70/627104570.db2.gz XHXKRZQKVVAYDZ-UHFFFAOYSA-N 1 0 308.397 3.315 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)CC2 ZINC000160450695 282117220 /nfs/dbraw/zinc/11/72/20/282117220.db2.gz CLNAPXGFKQWBEB-JQWIXIFHSA-N 1 0 324.350 3.271 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1sc(C(C)C)nc1C)CC2 ZINC000160358011 282127501 /nfs/dbraw/zinc/12/75/01/282127501.db2.gz UCDLZPAOWDZVIP-ZWNOBZJWSA-N 1 0 319.478 3.140 20 70 DGIDRO CC(C)OCCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000159567662 186127572 /nfs/dbraw/zinc/12/75/72/186127572.db2.gz CISMWSCUTFSBMD-UHFFFAOYSA-N 1 0 319.449 3.088 20 70 DGIDRO Fc1ccc(CCN2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000159570560 186127928 /nfs/dbraw/zinc/12/79/28/186127928.db2.gz NUMBSBIHYUSZNZ-GOSISDBHSA-N 1 0 322.493 3.318 20 70 DGIDRO C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159584223 186128757 /nfs/dbraw/zinc/12/87/57/186128757.db2.gz WYXWBGIGDUWXMT-ZFWWWQNUSA-N 1 0 317.351 3.221 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000159609023 186130905 /nfs/dbraw/zinc/13/09/05/186130905.db2.gz VNTAEVQMRPKCJG-CYBMUJFWSA-N 1 0 318.367 3.354 20 70 DGIDRO COc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1SC ZINC000159669638 186134157 /nfs/dbraw/zinc/13/41/57/186134157.db2.gz UOHLRKSZHMCCHL-JQFCIGGWSA-N 1 0 319.470 3.464 20 70 DGIDRO CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159748658 186139399 /nfs/dbraw/zinc/13/93/99/186139399.db2.gz AFVNJIZBWXZSIO-IBGZPJMESA-N 1 0 314.473 3.417 20 70 DGIDRO Fc1ccc2oc(N3CCC[C@H]3C[NH+]3CCCCC3)nc2c1 ZINC000160456623 283011743 /nfs/dbraw/zinc/01/17/43/283011743.db2.gz SAPHFZIPVYEMNA-AWEZNQCLSA-N 1 0 303.381 3.422 20 70 DGIDRO CC(C)(O)C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000160613322 292818378 /nfs/dbraw/zinc/81/83/78/292818378.db2.gz HQOUDZZQRLUFNF-UHFFFAOYSA-N 1 0 319.395 3.479 20 70 DGIDRO C[C@H](CC(=O)N(C)Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC000161415351 197493613 /nfs/dbraw/zinc/49/36/13/197493613.db2.gz TUTRHMWDWAQOLB-GDBMZVCRSA-N 1 0 314.429 3.417 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc2c(s1)CCCCCC2 ZINC000161216414 197475728 /nfs/dbraw/zinc/47/57/28/197475728.db2.gz XMKDSFSGHOEORS-CQSZACIVSA-N 1 0 306.475 3.231 20 70 DGIDRO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)c1cccc(C(F)(F)F)c1 ZINC000160683161 197431564 /nfs/dbraw/zinc/43/15/64/197431564.db2.gz OSNXOWMXNHPFRK-UONOGXRCSA-N 1 0 314.351 3.019 20 70 DGIDRO CCc1ccc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)o1 ZINC000160649957 197428671 /nfs/dbraw/zinc/42/86/71/197428671.db2.gz OQCMJORSOUDKEF-MTQIJDFFSA-N 1 0 316.445 3.329 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CCO1 ZINC000160562339 197421769 /nfs/dbraw/zinc/42/17/69/197421769.db2.gz WYGGDPBHJIVMTE-LBPRGKRZSA-N 1 0 321.371 3.402 20 70 DGIDRO CC(C)CC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160220520 197393563 /nfs/dbraw/zinc/39/35/63/197393563.db2.gz XMDMEROUCUFOKL-OAHLLOKOSA-N 1 0 303.450 3.101 20 70 DGIDRO C[C@H]([NH2+]CCCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000160153851 197389735 /nfs/dbraw/zinc/38/97/35/197389735.db2.gz JHSVZFCVQMLSCP-HNNXBMFYSA-N 1 0 317.454 3.374 20 70 DGIDRO Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C[NH3+])c(F)c2)cc1 ZINC000160147774 197389271 /nfs/dbraw/zinc/38/92/71/197389271.db2.gz BEQBYZBRORBFJF-INIZCTEOSA-N 1 0 312.388 3.364 20 70 DGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000160127523 197388184 /nfs/dbraw/zinc/38/81/84/197388184.db2.gz RAFGOIOJKBGELL-GJZGRUSLSA-N 1 0 308.466 3.223 20 70 DGIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(Cl)nc1C ZINC000160080620 197384278 /nfs/dbraw/zinc/38/42/78/197384278.db2.gz NZNTYQYADKRDIK-LBPRGKRZSA-N 1 0 311.857 3.284 20 70 DGIDRO CN(Cc1ncc(-c2cccc(Cl)c2)o1)[C@@H](C[NH3+])C1CC1 ZINC000160038556 197380862 /nfs/dbraw/zinc/38/08/62/197380862.db2.gz WJFZJUMITWGFSF-AWEZNQCLSA-N 1 0 305.809 3.164 20 70 DGIDRO [NH3+]C1(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)CCCCC1 ZINC000159813340 197366662 /nfs/dbraw/zinc/36/66/62/197366662.db2.gz SAVBCYPTRNCVOM-AWEZNQCLSA-N 1 0 306.837 3.318 20 70 DGIDRO O=C(N1CCC([NH2+]CC2CC2)CC1)C1(c2ccccc2)CCC1 ZINC000159776655 197363144 /nfs/dbraw/zinc/36/31/44/197363144.db2.gz YTVFQTFUOLQREN-UHFFFAOYSA-N 1 0 312.457 3.099 20 70 DGIDRO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000159499399 197358664 /nfs/dbraw/zinc/35/86/64/197358664.db2.gz ISRNSIPHQIFNEC-CZUORRHYSA-N 1 0 303.381 3.304 20 70 DGIDRO Cc1ccc(-c2cnc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000159448010 197353823 /nfs/dbraw/zinc/35/38/23/197353823.db2.gz IEJJUBQDKHXWAP-HOTGVXAUSA-N 1 0 300.402 3.243 20 70 DGIDRO O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159397843 197350258 /nfs/dbraw/zinc/35/02/58/197350258.db2.gz NFFXSTBITRFLLJ-FQEVSTJZSA-N 1 0 306.409 3.179 20 70 DGIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCO1 ZINC000160647644 292819096 /nfs/dbraw/zinc/81/90/96/292819096.db2.gz MURNDDDETDNARP-AEFFLSMTSA-N 1 0 319.445 3.292 20 70 DGIDRO CCc1ccc([C@@H](C)CC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000159513975 400730097 /nfs/dbraw/zinc/73/00/97/400730097.db2.gz DOKJMLONLHGYJG-RDJZCZTQSA-N 1 0 302.462 3.201 20 70 DGIDRO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC000159856414 400731384 /nfs/dbraw/zinc/73/13/84/400731384.db2.gz HOOJSYSOBUYABR-BDXSIMOUSA-N 1 0 321.509 3.471 20 70 DGIDRO CCOCCC[N@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000160203909 400733386 /nfs/dbraw/zinc/73/33/86/400733386.db2.gz QTLKMCBORICHRC-UHFFFAOYSA-N 1 0 321.461 3.227 20 70 DGIDRO COc1ccc(Cl)cc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000217193802 165376439 /nfs/dbraw/zinc/37/64/39/165376439.db2.gz WUDJXLCBXLERAI-ZDUSSCGKSA-N 1 0 324.852 3.229 20 70 DGIDRO COc1ccccc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000218017289 165378030 /nfs/dbraw/zinc/37/80/30/165378030.db2.gz UUKBKAWHIOHDMQ-UHFFFAOYSA-N 1 0 310.441 3.403 20 70 DGIDRO C[C@H](Sc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159830280 228243716 /nfs/dbraw/zinc/24/37/16/228243716.db2.gz FHDCJWMSRDYYBB-AWEZNQCLSA-N 1 0 318.486 3.158 20 70 DGIDRO Cc1ccc(CCCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160010024 228244675 /nfs/dbraw/zinc/24/46/75/228244675.db2.gz QIFDLJPZLUCEEO-HDICACEKSA-N 1 0 300.446 3.061 20 70 DGIDRO CC1(C)C[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)c2ccccc2O1 ZINC000161395906 278365252 /nfs/dbraw/zinc/36/52/52/278365252.db2.gz YOXHWLFNTVVLOQ-WBVHZDCISA-N 1 0 310.397 3.105 20 70 DGIDRO CC(C)N(C(=O)C[NH+]1CCc2ccccc2CC1)C1CCCC1 ZINC000217223101 432655419 /nfs/dbraw/zinc/65/54/19/432655419.db2.gz ZBPUVGUNGGQIEP-UHFFFAOYSA-N 1 0 314.473 3.267 20 70 DGIDRO CCOC[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159677851 432692738 /nfs/dbraw/zinc/69/27/38/432692738.db2.gz YNNNKPIRRKQUBC-QGZVFWFLSA-N 1 0 324.509 3.020 20 70 DGIDRO C[C@@H](CCc1ccccc1)[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000159754420 432695677 /nfs/dbraw/zinc/69/56/77/432695677.db2.gz MVEVSDBDYHCSBV-MAUKXSAKSA-N 1 0 302.462 3.422 20 70 DGIDRO C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C[C@H]1CCC[C@@H]1O ZINC000159778367 432696569 /nfs/dbraw/zinc/69/65/69/432696569.db2.gz ONRCTRCZAFNIKR-SJORKVTESA-N 1 0 319.445 3.235 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159852930 432698705 /nfs/dbraw/zinc/69/87/05/432698705.db2.gz GMDZJODOCGFDCK-LSDHHAIUSA-N 1 0 306.475 3.149 20 70 DGIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cncs1 ZINC000159982950 432702223 /nfs/dbraw/zinc/70/22/23/432702223.db2.gz TWWILIQUXJDDJI-NSHDSACASA-N 1 0 321.412 3.458 20 70 DGIDRO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160079137 432705907 /nfs/dbraw/zinc/70/59/07/432705907.db2.gz UUQUDVFIMOPBEE-CJNGLKHVSA-N 1 0 308.853 3.495 20 70 DGIDRO C[N@H+](CCc1cccc(OC(F)(F)F)c1)C[C@H]1CCCOC1 ZINC000160098381 432707093 /nfs/dbraw/zinc/70/70/93/432707093.db2.gz BSXLNSNHMPMNBR-CQSZACIVSA-N 1 0 317.351 3.486 20 70 DGIDRO CC(C)N(C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000160139283 432708836 /nfs/dbraw/zinc/70/88/36/432708836.db2.gz KVEDNBZZQPOXLN-RDJZCZTQSA-N 1 0 315.461 3.232 20 70 DGIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(Cl)s1 ZINC000160539408 432726408 /nfs/dbraw/zinc/72/64/08/432726408.db2.gz JTJDGNJTMZAYAU-QWRGUYRKSA-N 1 0 310.854 3.357 20 70 DGIDRO CSc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1F ZINC000160289063 432712991 /nfs/dbraw/zinc/71/29/91/432712991.db2.gz QPKIBDVKMGCLRQ-CYBMUJFWSA-N 1 0 324.465 3.398 20 70 DGIDRO CS[C@@H](C)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000160327192 432714196 /nfs/dbraw/zinc/71/41/96/432714196.db2.gz XQKHBXATOKNUAE-ZDUSSCGKSA-N 1 0 324.465 3.048 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000160532627 432726509 /nfs/dbraw/zinc/72/65/09/432726509.db2.gz MIIAIOKXNUKQGD-LBPRGKRZSA-N 1 0 312.841 3.049 20 70 DGIDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1ccccc1OC(F)F ZINC000160329197 432715761 /nfs/dbraw/zinc/71/57/61/432715761.db2.gz QABFRJVCYVDKEG-AAEUAGOBSA-N 1 0 319.417 3.443 20 70 DGIDRO COCC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1 ZINC000160450452 432720959 /nfs/dbraw/zinc/72/09/59/432720959.db2.gz RVXAICLPBDRZPZ-UHFFFAOYSA-N 1 0 322.412 3.120 20 70 DGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccccc1NC(C)=O ZINC000160452160 432722006 /nfs/dbraw/zinc/72/20/06/432722006.db2.gz ZGWUFYDAAVECMI-UHFFFAOYSA-N 1 0 312.413 3.294 20 70 DGIDRO C[C@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)CCN1C ZINC000160492143 432722781 /nfs/dbraw/zinc/72/27/81/432722781.db2.gz MTPFCDVLFOXNSO-GXTWGEPZSA-N 1 0 316.367 3.157 20 70 DGIDRO C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)CCN1C ZINC000160492271 432722833 /nfs/dbraw/zinc/72/28/33/432722833.db2.gz MTPFCDVLFOXNSO-OCCSQVGLSA-N 1 0 316.367 3.157 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OC(C)C)cc1)CC2 ZINC000160491189 432723639 /nfs/dbraw/zinc/72/36/39/432723639.db2.gz GQJXJOTVXKUANO-XJKSGUPXSA-N 1 0 314.433 3.039 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](CCc1ccccc1)C(C)C)CC2 ZINC000160514993 432724609 /nfs/dbraw/zinc/72/46/09/432724609.db2.gz CMTIZRUFMKGPGN-ROUUACIJSA-N 1 0 312.461 3.148 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000159473258 432685584 /nfs/dbraw/zinc/68/55/84/432685584.db2.gz WJEWTBRKYPCYHP-CVEARBPZSA-N 1 0 314.454 3.290 20 70 DGIDRO C[C@H]1CCC[C@H](CC(=O)N(C)CC(C)(C)CN2CCOCC2)C1 ZINC000159607669 432688142 /nfs/dbraw/zinc/68/81/42/432688142.db2.gz SHWKXONBNXQXMY-IRXDYDNUSA-N 1 0 324.509 3.020 20 70 DGIDRO CC(C)[NH+](CCNC(=O)c1cc(F)c(Cl)cc1F)C(C)C ZINC000160928715 432749411 /nfs/dbraw/zinc/74/94/11/432749411.db2.gz WQQOCFLJCNZSAR-UHFFFAOYSA-N 1 0 318.795 3.467 20 70 DGIDRO C[C@H](CC(=O)c1cccs1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000160902655 432749626 /nfs/dbraw/zinc/74/96/26/432749626.db2.gz MUTPCIPFRWVFIZ-KGLIPLIRSA-N 1 0 322.474 3.090 20 70 DGIDRO CC[N@@H+](Cc1cccc2c[nH]nc21)C[C@H]1COc2ccccc2O1 ZINC000160951834 432751321 /nfs/dbraw/zinc/75/13/21/432751321.db2.gz LYQGVDIDDRAKLW-INIZCTEOSA-N 1 0 323.396 3.225 20 70 DGIDRO Cc1nc(-c2cc([C@H](C)[NH2+]CC(=O)NC(C)C)cs2)cs1 ZINC000160949650 432751407 /nfs/dbraw/zinc/75/14/07/432751407.db2.gz LJFWWFDYKUVXLH-JTQLQIEISA-N 1 0 323.487 3.355 20 70 DGIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2cnn(CC)c2)C1 ZINC000161019244 432754654 /nfs/dbraw/zinc/75/46/54/432754654.db2.gz RBJCQXOWDBOEBO-JKSUJKDBSA-N 1 0 306.498 3.454 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(CSCC)cc2)CC1 ZINC000161060939 432757559 /nfs/dbraw/zinc/75/75/59/432757559.db2.gz YRGPCZJIXXXSFI-UHFFFAOYSA-N 1 0 320.502 3.401 20 70 DGIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000161096102 432759948 /nfs/dbraw/zinc/75/99/48/432759948.db2.gz WVVUCKDMQSVDGX-DNVCBOLYSA-N 1 0 322.412 3.042 20 70 DGIDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cnccn1 ZINC000161131618 432761886 /nfs/dbraw/zinc/76/18/86/432761886.db2.gz SHGFOONBKNDATC-SGTLLEGYSA-N 1 0 311.385 3.050 20 70 DGIDRO CCC[N@H+](CCO)Cc1cn(-c2ccccc2)nc1C(C)C ZINC000161192927 432764673 /nfs/dbraw/zinc/76/46/73/432764673.db2.gz WEPYHALRLNNCGX-UHFFFAOYSA-N 1 0 301.434 3.200 20 70 DGIDRO CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1ccccc1 ZINC000161217351 432767283 /nfs/dbraw/zinc/76/72/83/432767283.db2.gz JSOHPMDLUQLVNV-MRXNPFEDSA-N 1 0 300.402 3.449 20 70 DGIDRO Cc1ccccc1[C@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000161244624 432768196 /nfs/dbraw/zinc/76/81/96/432768196.db2.gz MOCUBFGPAABLFN-LJQANCHMSA-N 1 0 302.462 3.244 20 70 DGIDRO COc1ccc([C@H]([NH2+]C2CCC3(CC2)OCCO3)C2CC2)cc1 ZINC000161249372 432768301 /nfs/dbraw/zinc/76/83/01/432768301.db2.gz KZADWCYSHJMNJC-GOSISDBHSA-N 1 0 317.429 3.422 20 70 DGIDRO Cc1ccccc1[C@@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000161244508 432768724 /nfs/dbraw/zinc/76/87/24/432768724.db2.gz MOCUBFGPAABLFN-IBGZPJMESA-N 1 0 302.462 3.244 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2nccc(C(F)(F)F)n2)C1 ZINC000161308761 432770942 /nfs/dbraw/zinc/77/09/42/432770942.db2.gz DOOJHTUBGMIMLW-LBPRGKRZSA-N 1 0 316.371 3.275 20 70 DGIDRO CCN(C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C(C)C ZINC000161290443 432771181 /nfs/dbraw/zinc/77/11/81/432771181.db2.gz CPYFMDVYBAWLIH-OAHLLOKOSA-N 1 0 318.465 3.047 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCCOc2ccc(C)cc2)CC1 ZINC000161308570 432771909 /nfs/dbraw/zinc/77/19/09/432771909.db2.gz CKQCOCVWDUOMOZ-UHFFFAOYSA-N 1 0 318.461 3.191 20 70 DGIDRO C[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)COCc1ccccc1 ZINC000161313057 432773652 /nfs/dbraw/zinc/77/36/52/432773652.db2.gz UNNUZHFFBGNQQX-QAPCUYQASA-N 1 0 313.445 3.240 20 70 DGIDRO CCCCOc1ncccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161375021 432776145 /nfs/dbraw/zinc/77/61/45/432776145.db2.gz UYWZTDSBJSNJLZ-UHFFFAOYSA-N 1 0 320.433 3.036 20 70 DGIDRO OC[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000161411443 432777388 /nfs/dbraw/zinc/77/73/88/432777388.db2.gz LFRBGCYEKWFPGA-SFHVURJKSA-N 1 0 316.489 3.149 20 70 DGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(OC)cc1 ZINC000160542008 432726986 /nfs/dbraw/zinc/72/69/86/432726986.db2.gz MAEYVLPAZUBPRS-UHFFFAOYSA-N 1 0 307.438 3.281 20 70 DGIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(Cl)s1 ZINC000160539140 432727426 /nfs/dbraw/zinc/72/74/26/432727426.db2.gz JTJDGNJTMZAYAU-MNOVXSKESA-N 1 0 310.854 3.357 20 70 DGIDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c(C)nc3ccccn32)C1(C)C ZINC000160570545 432728254 /nfs/dbraw/zinc/72/82/54/432728254.db2.gz LTWWPPFESDDMBT-HZPDHXFCSA-N 1 0 301.434 3.278 20 70 DGIDRO Cc1ccc(C)c([C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)c1 ZINC000160665335 432733397 /nfs/dbraw/zinc/73/33/97/432733397.db2.gz JCKZZDXIAKTFRJ-SFHVURJKSA-N 1 0 300.446 3.309 20 70 DGIDRO CCCC[N@H+](CC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000160787625 432740940 /nfs/dbraw/zinc/74/09/40/432740940.db2.gz XUOUNKXYMZJEQJ-INIZCTEOSA-N 1 0 301.496 3.246 20 70 DGIDRO Cc1cccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000161479996 432781972 /nfs/dbraw/zinc/78/19/72/432781972.db2.gz UKPIMBZLRQGOTH-UHFFFAOYSA-N 1 0 315.461 3.163 20 70 DGIDRO CC[C@]1(C)C[C@@H]1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000160849216 432745219 /nfs/dbraw/zinc/74/52/19/432745219.db2.gz JZWXRUZAEPVDMV-SJLPKXTDSA-N 1 0 304.434 3.139 20 70 DGIDRO Fc1ccccc1[C@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000160860926 432746265 /nfs/dbraw/zinc/74/62/65/432746265.db2.gz CCGHBPZNQPSREB-GOSISDBHSA-N 1 0 306.425 3.075 20 70 DGIDRO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000161194331 289724685 /nfs/dbraw/zinc/72/46/85/289724685.db2.gz WZPAXYQFZFLYER-ZIAGYGMSSA-N 1 0 308.491 3.201 20 70 DGIDRO CCC[C@@H](NC[C@H](O)C[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000159430929 292792500 /nfs/dbraw/zinc/79/25/00/292792500.db2.gz ZIGMKHMSHVVIHZ-SWLSCSKDSA-N 1 0 319.276 3.347 20 70 DGIDRO CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000159572158 292795710 /nfs/dbraw/zinc/79/57/10/292795710.db2.gz YJHDKMJFGFRAIR-APWZRJJASA-N 1 0 315.461 3.122 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000159837256 292801556 /nfs/dbraw/zinc/80/15/56/292801556.db2.gz NORSYTQNPCNXDQ-XJKSGUPXSA-N 1 0 324.852 3.017 20 70 DGIDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1C ZINC000160529935 292816462 /nfs/dbraw/zinc/81/64/62/292816462.db2.gz IXPVEUGILMTKHW-KYJSFNMBSA-N 1 0 318.461 3.161 20 70 DGIDRO C[C@@H]1CC[C@H](C)N1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000161398717 292834426 /nfs/dbraw/zinc/83/44/26/292834426.db2.gz RBYGVIYVOVJCLE-JZXOWHBKSA-N 1 0 315.461 3.406 20 70 DGIDRO C[C@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCCC1 ZINC000160729790 298190996 /nfs/dbraw/zinc/19/09/96/298190996.db2.gz DXEFOPLWCYSZBN-SJORKVTESA-N 1 0 322.493 3.249 20 70 DGIDRO Cc1ncc([C@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc3C2)c(C)n1 ZINC000159805258 302703597 /nfs/dbraw/zinc/70/35/97/302703597.db2.gz QYDYHAIRVUPTJB-CABCVRRESA-N 1 0 324.472 3.191 20 70 DGIDRO Cc1cc2occ(CC(=O)NCC(C)(C)[NH3+])c2cc1C(C)C ZINC000159930283 525696785 /nfs/dbraw/zinc/69/67/85/525696785.db2.gz XWPOCXFCVPNEDH-UHFFFAOYSA-N 1 0 302.418 3.261 20 70 DGIDRO C[C@@]1(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CCC[NH2+]C1 ZINC000161333997 525810597 /nfs/dbraw/zinc/81/05/97/525810597.db2.gz RZBQGIANLSLDEY-HXUWFJFHSA-N 1 0 322.408 3.246 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000159473115 527118072 /nfs/dbraw/zinc/11/80/72/527118072.db2.gz WJEWTBRKYPCYHP-JKSUJKDBSA-N 1 0 314.454 3.290 20 70 DGIDRO Cc1ncc([C@H](C)NC[C@H](C2CCCCC2)[NH+](C)C)c(C)n1 ZINC000160401440 527308838 /nfs/dbraw/zinc/30/88/38/527308838.db2.gz PVUKMBVGMNEKLP-SCLBCKFNSA-N 1 0 304.482 3.255 20 70 DGIDRO CCC(CC)n1nccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000160839671 528913081 /nfs/dbraw/zinc/91/30/81/528913081.db2.gz DQSNTVFFHRWLNK-UHFFFAOYSA-N 1 0 320.481 3.096 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2ccc(C)cc2)CC1 ZINC000159816475 529023696 /nfs/dbraw/zinc/02/36/96/529023696.db2.gz UOHIZKNXPPCCQI-UHFFFAOYSA-N 1 0 317.477 3.010 20 70 DGIDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccnc(C)c2Cl)CC1 ZINC000159829273 546056172 /nfs/dbraw/zinc/05/61/72/546056172.db2.gz KUFJSVBOODVQST-UHFFFAOYSA-N 1 0 324.856 3.382 20 70 DGIDRO Cc1nccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1Cl ZINC000159705876 546056270 /nfs/dbraw/zinc/05/62/70/546056270.db2.gz WTRWPOWJBLZVNB-GFCCVEGCSA-N 1 0 324.856 3.287 20 70 DGIDRO Cc1nccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1Cl ZINC000159788557 546056597 /nfs/dbraw/zinc/05/65/97/546056597.db2.gz LALBLYURAUMEDC-UHFFFAOYSA-N 1 0 324.856 3.429 20 70 DGIDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(F)cc1 ZINC000160190179 546059057 /nfs/dbraw/zinc/05/90/57/546059057.db2.gz HTMZFZSFLVJWHP-CXAGYDPISA-N 1 0 304.409 3.410 20 70 DGIDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160339809 546060363 /nfs/dbraw/zinc/06/03/63/546060363.db2.gz SFGOYAYPBRYCLA-NSHDSACASA-N 1 0 322.250 3.037 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCSc2ccccc2Cl)C1 ZINC000160954120 546063977 /nfs/dbraw/zinc/06/39/77/546063977.db2.gz YUTWXEQVJGNOHY-NEPJUHHUSA-N 1 0 312.866 3.208 20 70 DGIDRO CCCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160970471 546064137 /nfs/dbraw/zinc/06/41/37/546064137.db2.gz PDUWVRGFIQKMSU-HZPDHXFCSA-N 1 0 304.434 3.255 20 70 DGIDRO Cc1c2cc(F)ccc2sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161063946 546065196 /nfs/dbraw/zinc/06/51/96/546065196.db2.gz GBDHFDNCLAGEQK-VXGBXAGGSA-N 1 0 306.406 3.349 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccccc2CCc2ccccc2)C1 ZINC000161175530 546065564 /nfs/dbraw/zinc/06/55/64/546065564.db2.gz GWTMNNOFSZCVOZ-RBUKOAKNSA-N 1 0 322.452 3.472 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000161197227 546066013 /nfs/dbraw/zinc/06/60/13/546066013.db2.gz BOTPTEBOSXXCDA-NSHDSACASA-N 1 0 306.406 3.112 20 70 DGIDRO C[NH2+]CC1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000161200416 546066026 /nfs/dbraw/zinc/06/60/26/546066026.db2.gz PKLTWWRHWZRSGI-UHFFFAOYSA-N 1 0 306.406 3.112 20 70 DGIDRO C[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)[C@H]1C[NH3+] ZINC000161207426 546066186 /nfs/dbraw/zinc/06/61/86/546066186.db2.gz PWWJCFNBQSJGIE-MFKMUULPSA-N 1 0 306.406 3.240 20 70 DGIDRO Cc1csc(-c2cccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)n1 ZINC000161410309 546068132 /nfs/dbraw/zinc/06/81/32/546068132.db2.gz YJVXPFGEOUOUNK-GJZGRUSLSA-N 1 0 315.442 3.118 20 70 DGIDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)sc2cccc(F)c12 ZINC000161343847 546068463 /nfs/dbraw/zinc/06/84/63/546068463.db2.gz SJLBBLWMXPIWLS-WDEREUQCSA-N 1 0 306.406 3.349 20 70 DGIDRO CCc1ccc(C[N@H+](CCCCS(C)(=O)=O)C2CC2)cc1 ZINC000161438451 546069574 /nfs/dbraw/zinc/06/95/74/546069574.db2.gz NOVWYUNJJSCUNZ-UHFFFAOYSA-N 1 0 309.475 3.038 20 70 DGIDRO Fc1ccc(OCCN2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000216703501 546262867 /nfs/dbraw/zinc/26/28/67/546262867.db2.gz HYGYSMCKJOZSAQ-SFHVURJKSA-N 1 0 319.351 3.417 20 70 DGIDRO CC(C)CNC(=O)[C@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000217578115 575908902 /nfs/dbraw/zinc/90/89/02/575908902.db2.gz KIWKJQIFXFAXIV-INIZCTEOSA-N 1 0 302.462 3.249 20 70 DGIDRO Cc1ncc([C@H](C)[NH2+]C[C@@H](C)N(C)Cc2ccccc2)c(C)n1 ZINC000160862589 282165527 /nfs/dbraw/zinc/16/55/27/282165527.db2.gz XTBUQTUNRUVXAK-CABCVRRESA-N 1 0 312.461 3.265 20 70 DGIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1cnn(Cc2ccccc2)c1 ZINC000159624042 186131363 /nfs/dbraw/zinc/13/13/63/186131363.db2.gz FIRHHTLJDPRPBC-WMLDXEAASA-N 1 0 301.459 3.478 20 70 DGIDRO NC(=O)CC1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000159730829 186138111 /nfs/dbraw/zinc/13/81/11/186138111.db2.gz UDWKXZSWFJQIEX-UHFFFAOYSA-N 1 0 316.445 3.095 20 70 DGIDRO C[C@@H]1C[C@@H]1[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000161295298 197482615 /nfs/dbraw/zinc/48/26/15/197482615.db2.gz PSRYVFCBIQQFDH-DUUDNCRHSA-N 1 0 306.837 3.295 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1sc(-c2cccs2)nc1C ZINC000161186787 197472305 /nfs/dbraw/zinc/47/23/05/197472305.db2.gz DQDAFWHNTKVVDX-NSHDSACASA-N 1 0 321.471 3.004 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2occc2-c2ccccc2)CC1 ZINC000161138591 197468615 /nfs/dbraw/zinc/46/86/15/197468615.db2.gz NKFOUDGYQDNMIJ-UHFFFAOYSA-N 1 0 312.413 3.408 20 70 DGIDRO COc1cccc(-c2ccc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)c1 ZINC000161077851 197462589 /nfs/dbraw/zinc/46/25/89/197462589.db2.gz MYFFFYSXJGYQSJ-MSOLQXFVSA-N 1 0 324.424 3.106 20 70 DGIDRO O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000161136037 197468131 /nfs/dbraw/zinc/46/81/31/197468131.db2.gz WOAXRNKSLQZBMM-HNNXBMFYSA-N 1 0 302.418 3.084 20 70 DGIDRO C[NH2+][C@@H]1CCN(C(=O)c2oc3c(ccc4ccccc34)c2C)C1 ZINC000160552536 197421621 /nfs/dbraw/zinc/42/16/21/197421621.db2.gz GGAFWSQDWPQDLF-CQSZACIVSA-N 1 0 308.381 3.328 20 70 DGIDRO CC[C@@H]([NH2+]C[C@H](CC)Oc1ccccc1F)c1cnn(C)c1 ZINC000160304499 197399057 /nfs/dbraw/zinc/39/90/57/197399057.db2.gz INMHJHSZIRWTEE-GOEBONIOSA-N 1 0 305.397 3.458 20 70 DGIDRO CC[C@H](C[NH2+][C@H](CC)c1cnn(C)c1)Oc1ccccc1F ZINC000160304614 197399140 /nfs/dbraw/zinc/39/91/40/197399140.db2.gz INMHJHSZIRWTEE-GDBMZVCRSA-N 1 0 305.397 3.458 20 70 DGIDRO Cc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000160175306 197391323 /nfs/dbraw/zinc/39/13/23/197391323.db2.gz IEMPHWSWACFSOJ-UHFFFAOYSA-N 1 0 317.477 3.258 20 70 DGIDRO Cc1cc2occ(CC(=O)N3CCC[C@H]3C[NH3+])c2cc1C(C)C ZINC000160133029 197388298 /nfs/dbraw/zinc/38/82/98/197388298.db2.gz KHMLDXSZBACODH-HNNXBMFYSA-N 1 0 314.429 3.357 20 70 DGIDRO CC[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000160129406 197387902 /nfs/dbraw/zinc/38/79/02/197387902.db2.gz NIVCEVYEZLNZMK-HOTGVXAUSA-N 1 0 318.461 3.037 20 70 DGIDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)CC2 ZINC000159945144 197376104 /nfs/dbraw/zinc/37/61/04/197376104.db2.gz URRUQPIJMMNQQC-DLBZAZTESA-N 1 0 303.427 3.241 20 70 DGIDRO CCN(CC)[C@@H](C[NH2+]Cc1ccnn1CC)c1ccccc1 ZINC000159873478 197369651 /nfs/dbraw/zinc/36/96/51/197369651.db2.gz RGPGLHJLAZGUDR-SFHVURJKSA-N 1 0 300.450 3.076 20 70 DGIDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](C)N2CCc3sccc3C2)cn1 ZINC000159865080 197369682 /nfs/dbraw/zinc/36/96/82/197369682.db2.gz KZWSBMPEOPJHQY-ZIAGYGMSSA-N 1 0 318.490 3.062 20 70 DGIDRO C[C@@H](CC(=O)N1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1F ZINC000159525843 197360631 /nfs/dbraw/zinc/36/06/31/197360631.db2.gz FLWMCJDMNALPIR-ZDUSSCGKSA-N 1 0 322.399 3.013 20 70 DGIDRO Cc1ccc(-c2cnc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)o2)cc1 ZINC000159448136 197354072 /nfs/dbraw/zinc/35/40/72/197354072.db2.gz IEJJUBQDKHXWAP-CVEARBPZSA-N 1 0 300.402 3.243 20 70 DGIDRO CC[C@H](C)[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000159365244 197347732 /nfs/dbraw/zinc/34/77/32/197347732.db2.gz FVPRNHMBWPHINV-IEZWGBDMSA-N 1 0 300.446 3.028 20 70 DGIDRO CC[C@@H](C)[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000159365115 197347592 /nfs/dbraw/zinc/34/75/92/197347592.db2.gz FVPRNHMBWPHINV-AYBZRNKSSA-N 1 0 300.446 3.028 20 70 DGIDRO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217514500 165377813 /nfs/dbraw/zinc/37/78/13/165377813.db2.gz LGPPERULEVNBRP-NEPJUHHUSA-N 1 0 302.340 3.317 20 70 DGIDRO Cc1ccc(SCCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159506784 228241853 /nfs/dbraw/zinc/24/18/53/228241853.db2.gz WHIZVNIDNHEDDW-UHFFFAOYSA-N 1 0 306.475 3.255 20 70 DGIDRO Fc1cc(F)cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000159569853 228242346 /nfs/dbraw/zinc/24/23/46/228242346.db2.gz XRRNJYCNHGRJNV-INIZCTEOSA-N 1 0 306.356 3.485 20 70 DGIDRO COc1ccc(CCCCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159574041 228243100 /nfs/dbraw/zinc/24/31/00/228243100.db2.gz BAGNOMIKHQBICT-UHFFFAOYSA-N 1 0 318.461 3.186 20 70 DGIDRO C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])Oc1ccccc1F ZINC000161160960 228250813 /nfs/dbraw/zinc/25/08/13/228250813.db2.gz ISUHWYDURFIJMQ-FMKPAKJESA-N 1 0 322.424 3.007 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3c2cccc3Cl)CC1 ZINC000159746131 276162287 /nfs/dbraw/zinc/16/22/87/276162287.db2.gz SDHXMRXYWKNYHG-INIZCTEOSA-N 1 0 321.852 3.065 20 70 DGIDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161167559 277702114 /nfs/dbraw/zinc/70/21/14/277702114.db2.gz UDISSZYOUQVYDU-HUUCEWRRSA-N 1 0 304.482 3.351 20 70 DGIDRO CC(C)[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc2c(c1)OCCO2 ZINC000161475316 277760309 /nfs/dbraw/zinc/76/03/09/277760309.db2.gz NUSFFWWGXADFGL-CRAIPNDOSA-N 1 0 305.418 3.314 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000160064951 280100932 /nfs/dbraw/zinc/10/09/32/280100932.db2.gz DEBLJHPLIRWXFW-RHSMWYFYSA-N 1 0 306.450 3.229 20 70 DGIDRO C[C@@H](N[C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1cscn1 ZINC000218258271 432658922 /nfs/dbraw/zinc/65/89/22/432658922.db2.gz JGUWHWXSEFVNMP-PWSUYJOCSA-N 1 0 311.451 3.097 20 70 DGIDRO Cc1ccc([C@H](C)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000159660480 432692084 /nfs/dbraw/zinc/69/20/84/432692084.db2.gz ZACSTFIDAJFQAY-HZPDHXFCSA-N 1 0 302.462 3.241 20 70 DGIDRO CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000159656157 432692767 /nfs/dbraw/zinc/69/27/67/432692767.db2.gz XMSYWOIISAYDAS-GJZGRUSLSA-N 1 0 314.470 3.037 20 70 DGIDRO C[NH+](C)Cc1cccc(CNC(=O)c2c(F)cc(F)cc2F)c1 ZINC000159713305 432693410 /nfs/dbraw/zinc/69/34/10/432693410.db2.gz ANPNOOJVJKHATH-UHFFFAOYSA-N 1 0 322.330 3.096 20 70 DGIDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159710167 432694283 /nfs/dbraw/zinc/69/42/83/432694283.db2.gz DWLUJUIUBMVRMI-YOEHRIQHSA-N 1 0 302.418 3.288 20 70 DGIDRO C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159708399 432694565 /nfs/dbraw/zinc/69/45/65/432694565.db2.gz VXJIQEAHBXYACP-NVXWUHKLSA-N 1 0 309.498 3.329 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc3ccccc3c2)CC1 ZINC000159823673 432697746 /nfs/dbraw/zinc/69/77/46/432697746.db2.gz ZVXANGBDIZMOSQ-UHFFFAOYSA-N 1 0 311.429 3.077 20 70 DGIDRO COc1ccc(C[N@H+](C)Cc2cccc3c2OCCCO3)cc1 ZINC000159848629 432698869 /nfs/dbraw/zinc/69/88/69/432698869.db2.gz ORARPVZPHAPZEO-UHFFFAOYSA-N 1 0 313.397 3.489 20 70 DGIDRO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159889445 432698931 /nfs/dbraw/zinc/69/89/31/432698931.db2.gz XSUZQZVGGDQROS-OAHLLOKOSA-N 1 0 317.477 3.022 20 70 DGIDRO Cc1cc(C)cc(-c2nnc(NC(=O)CC[NH2+]C(C)C)s2)c1 ZINC000160116552 432706401 /nfs/dbraw/zinc/70/64/01/432706401.db2.gz UBQQSTMMDJJQES-UHFFFAOYSA-N 1 0 318.446 3.149 20 70 DGIDRO CC(C)N(C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000160139414 432708729 /nfs/dbraw/zinc/70/87/29/432708729.db2.gz KVEDNBZZQPOXLN-NVXWUHKLSA-N 1 0 315.461 3.232 20 70 DGIDRO Cc1ccoc1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160164561 432709187 /nfs/dbraw/zinc/70/91/87/432709187.db2.gz QPFZLLWBEKAZIM-UHFFFAOYSA-N 1 0 301.390 3.068 20 70 DGIDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1Cl ZINC000160225018 432711626 /nfs/dbraw/zinc/71/16/26/432711626.db2.gz HFXQKDRTFMGVIF-PWSUYJOCSA-N 1 0 303.855 3.113 20 70 DGIDRO CC(C)[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CCCC1 ZINC000160322969 432713648 /nfs/dbraw/zinc/71/36/48/432713648.db2.gz BHUGDHNMEPWLJL-UHFFFAOYSA-N 1 0 320.481 3.309 20 70 DGIDRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000160330041 432714985 /nfs/dbraw/zinc/71/49/85/432714985.db2.gz UGRAJAQZMAAGKC-GOSISDBHSA-N 1 0 310.397 3.116 20 70 DGIDRO CCCCN(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160342878 432715121 /nfs/dbraw/zinc/71/51/21/432715121.db2.gz MUHORULTGZTZNP-WBVHZDCISA-N 1 0 303.450 3.091 20 70 DGIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000160329522 432715704 /nfs/dbraw/zinc/71/57/04/432715704.db2.gz XOYDGUPEOXSKOA-BBRMVZONSA-N 1 0 308.853 3.119 20 70 DGIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000160329369 432716037 /nfs/dbraw/zinc/71/60/37/432716037.db2.gz XOYDGUPEOXSKOA-XJKSGUPXSA-N 1 0 308.853 3.119 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCc1cccs1 ZINC000160451379 432721325 /nfs/dbraw/zinc/72/13/25/432721325.db2.gz NNSILZSCKFQSTA-OAHLLOKOSA-N 1 0 308.491 3.307 20 70 DGIDRO C[C@H](CC(=O)NCCc1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000160489630 432722494 /nfs/dbraw/zinc/72/24/94/432722494.db2.gz SUBJPYBADUPJLW-CQSZACIVSA-N 1 0 314.429 3.117 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)CC2 ZINC000160483562 432722954 /nfs/dbraw/zinc/72/29/54/432722954.db2.gz WTDDDWKAANNNNB-IINYFYTJSA-N 1 0 324.350 3.271 20 70 DGIDRO C[NH2+][C@H]1CCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000160507018 432724904 /nfs/dbraw/zinc/72/49/04/432724904.db2.gz IZFFTQALUMBXIR-ZDUSSCGKSA-N 1 0 312.866 3.033 20 70 DGIDRO CC(C)c1ncc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000159398958 432682045 /nfs/dbraw/zinc/68/20/45/432682045.db2.gz QWWRCMKMOWFYDM-CYBMUJFWSA-N 1 0 309.479 3.118 20 70 DGIDRO COCCN(C)CC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000159411143 432682172 /nfs/dbraw/zinc/68/21/72/432682172.db2.gz NLQKJWAMNIGSTE-AWEZNQCLSA-N 1 0 319.474 3.039 20 70 DGIDRO CC[C@H](CC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(C)cc1 ZINC000159509995 432685807 /nfs/dbraw/zinc/68/58/07/432685807.db2.gz OUIHZBIOBNZLIE-IAGOWNOFSA-N 1 0 302.462 3.337 20 70 DGIDRO CCN(C(=O)[C@H]1CC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000159562844 432686171 /nfs/dbraw/zinc/68/61/71/432686171.db2.gz MIAUMJCOYWPDIR-AAEUAGOBSA-N 1 0 314.351 3.224 20 70 DGIDRO O=C(CC1CCSCC1)NCc1ccccc1-n1ccnc1 ZINC000159584150 432689179 /nfs/dbraw/zinc/68/91/79/432689179.db2.gz LYEDRLBROOMXKH-UHFFFAOYSA-N 1 0 315.442 3.022 20 70 DGIDRO COc1cccc([C@H](C)C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159637189 432690858 /nfs/dbraw/zinc/69/08/58/432690858.db2.gz KOHUTTDLJZSUSU-HNNXBMFYSA-N 1 0 318.461 3.227 20 70 DGIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000159689616 432691932 /nfs/dbraw/zinc/69/19/32/432691932.db2.gz YXWMTECLBCUVCL-ZFWWWQNUSA-N 1 0 316.401 3.008 20 70 DGIDRO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(F)cc1F ZINC000160890994 432747864 /nfs/dbraw/zinc/74/78/64/432747864.db2.gz KXXTYENHWYRWPK-KRWDZBQOSA-N 1 0 310.388 3.264 20 70 DGIDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](C)N(C)Cc2ccccc2)cn1 ZINC000160872547 432748341 /nfs/dbraw/zinc/74/83/41/432748341.db2.gz SJJBMQBSCBJMSA-HZPDHXFCSA-N 1 0 300.450 3.074 20 70 DGIDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccs1 ZINC000160933741 432749274 /nfs/dbraw/zinc/74/92/74/432749274.db2.gz KFMZZEVDSKSIFV-GFCCVEGCSA-N 1 0 309.456 3.144 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000160911709 432749287 /nfs/dbraw/zinc/74/92/87/432749287.db2.gz HHPFAZVNKXJQDG-LLVKDONJSA-N 1 0 316.417 3.219 20 70 DGIDRO C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc21 ZINC000160903757 432749526 /nfs/dbraw/zinc/74/95/26/432749526.db2.gz FJBNGPJLTNGQLV-GJZGRUSLSA-N 1 0 313.445 3.337 20 70 DGIDRO COc1ccc([C@@H](CCC(C)C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160914468 432750313 /nfs/dbraw/zinc/75/03/13/432750313.db2.gz JTOKWIJHZNADQK-QGZVFWFLSA-N 1 0 306.450 3.287 20 70 DGIDRO CC(=O)Nc1cccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160999734 432752486 /nfs/dbraw/zinc/75/24/86/432752486.db2.gz RYUMUGKWZBCPRC-KKXDTOCCSA-N 1 0 303.450 3.168 20 70 DGIDRO CCCCOc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1OC ZINC000160989256 432753074 /nfs/dbraw/zinc/75/30/74/432753074.db2.gz IHVSLTGEJFHJAP-AWEZNQCLSA-N 1 0 322.449 3.049 20 70 DGIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2cnn(CC)c2)C1 ZINC000161019346 432755034 /nfs/dbraw/zinc/75/50/34/432755034.db2.gz RBJCQXOWDBOEBO-HOTGVXAUSA-N 1 0 306.498 3.454 20 70 DGIDRO CC[C@H]([NH2+]CCCOCc1ccc(OC)cc1)c1cnn(C)c1 ZINC000161062152 432757768 /nfs/dbraw/zinc/75/77/68/432757768.db2.gz FDODFVHBUWSXDW-SFHVURJKSA-N 1 0 317.433 3.076 20 70 DGIDRO COc1cccc(-c2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000161080944 432757823 /nfs/dbraw/zinc/75/78/23/432757823.db2.gz NNGHIAMKNMVSFH-SFHVURJKSA-N 1 0 324.424 3.121 20 70 DGIDRO CCC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)C(C)C ZINC000161085836 432758009 /nfs/dbraw/zinc/75/80/09/432758009.db2.gz HNSQWQAUUZSMJK-ZWKOTPCHSA-N 1 0 320.477 3.486 20 70 DGIDRO CC(C)n1cccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000161082636 432758119 /nfs/dbraw/zinc/75/81/19/432758119.db2.gz HLIFKNVAAZENON-QGZVFWFLSA-N 1 0 317.408 3.241 20 70 DGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000161106598 432759060 /nfs/dbraw/zinc/75/90/60/432759060.db2.gz HQAJJISYTXWBFD-IMJJTQAJSA-N 1 0 307.457 3.415 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)CC1 ZINC000161129563 432761768 /nfs/dbraw/zinc/76/17/68/432761768.db2.gz VNTBMHPHDXQXBC-OAHLLOKOSA-N 1 0 320.452 3.243 20 70 DGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCCOc1cc(C)ccc1C ZINC000161198305 432765511 /nfs/dbraw/zinc/76/55/11/432765511.db2.gz OOUFWHYWGHUMAR-KRWDZBQOSA-N 1 0 318.461 3.063 20 70 DGIDRO C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[C@@H]1c1ccccc1 ZINC000161235762 432768097 /nfs/dbraw/zinc/76/80/97/432768097.db2.gz WERMBRVNTHQEPG-YJBOKZPZSA-N 1 0 300.446 3.028 20 70 DGIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCc3ccccc32)CC1 ZINC000161251360 432768540 /nfs/dbraw/zinc/76/85/40/432768540.db2.gz GYQSFJMTONIPOP-WWDZGPRUSA-N 1 0 300.446 3.143 20 70 DGIDRO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161248110 432768789 /nfs/dbraw/zinc/76/87/89/432768789.db2.gz JTNLASZEBUXFFH-QZTJIDSGSA-N 1 0 302.462 3.307 20 70 DGIDRO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161331554 432772627 /nfs/dbraw/zinc/77/26/27/432772627.db2.gz XWFWXNSROMXBDI-OAHLLOKOSA-N 1 0 314.351 3.054 20 70 DGIDRO C[NH+](C)Cc1ccc(C(=O)Nc2cnn(-c3ccccc3)c2)cc1 ZINC000161310938 432773111 /nfs/dbraw/zinc/77/31/11/432773111.db2.gz TUOQZOVWNCPDMH-UHFFFAOYSA-N 1 0 320.396 3.186 20 70 DGIDRO CC(=O)NC1CCC([NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000161338802 432773608 /nfs/dbraw/zinc/77/36/08/432773608.db2.gz MZRPJRAVORLZFO-UHFFFAOYSA-N 1 0 318.461 3.258 20 70 DGIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1 ZINC000161349824 432774741 /nfs/dbraw/zinc/77/47/41/432774741.db2.gz VILSMIQMHWGTDD-IAGOWNOFSA-N 1 0 316.489 3.376 20 70 DGIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000161383042 432777048 /nfs/dbraw/zinc/77/70/48/432777048.db2.gz KSIJMNMHCZSRMK-HNNXBMFYSA-N 1 0 310.463 3.130 20 70 DGIDRO C[C@@H](CC(=O)N(C)Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC000161415471 432777899 /nfs/dbraw/zinc/77/78/99/432777899.db2.gz TUTRHMWDWAQOLB-HOCLYGCPSA-N 1 0 314.429 3.417 20 70 DGIDRO COc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000161436316 432779204 /nfs/dbraw/zinc/77/92/04/432779204.db2.gz FHPINSBBXNEEND-ZFWWWQNUSA-N 1 0 313.850 3.055 20 70 DGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000160544047 432726829 /nfs/dbraw/zinc/72/68/29/432726829.db2.gz CIRVDERNFCOOPC-KBPBESRZSA-N 1 0 322.449 3.399 20 70 DGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000160529361 432727248 /nfs/dbraw/zinc/72/72/48/432727248.db2.gz OSLRNKFYMRWVRJ-KGLIPLIRSA-N 1 0 319.449 3.340 20 70 DGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000160563666 432728410 /nfs/dbraw/zinc/72/84/10/432728410.db2.gz BWDGWOJCZWHUJG-YQQAZPJKSA-N 1 0 318.461 3.383 20 70 DGIDRO CC(C)c1csc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000160580461 432729328 /nfs/dbraw/zinc/72/93/28/432729328.db2.gz FKALTTPXFZXBFV-AVGNSLFASA-N 1 0 309.479 3.144 20 70 DGIDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cnn(C)c1 ZINC000160608493 432731148 /nfs/dbraw/zinc/73/11/48/432731148.db2.gz BEQBRFQMGFLKJW-GFCCVEGCSA-N 1 0 304.463 3.039 20 70 DGIDRO C[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[NH+]1CCCCCC1 ZINC000160729407 432737516 /nfs/dbraw/zinc/73/75/16/432737516.db2.gz DXEFOPLWCYSZBN-DLBZAZTESA-N 1 0 322.493 3.249 20 70 DGIDRO CCc1ccc([C@H](CO)[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000160786525 432740222 /nfs/dbraw/zinc/74/02/22/432740222.db2.gz HZMAPJWSZLYWBS-IBGZPJMESA-N 1 0 309.409 3.348 20 70 DGIDRO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000161502947 432783014 /nfs/dbraw/zinc/78/30/14/432783014.db2.gz XGBBYQAEBRXFHP-QFBILLFUSA-N 1 0 323.440 3.149 20 70 DGIDRO CCc1nc2c(s1)[C@H]([NH2+]C[C@H](CO)c1ccccc1)CCC2 ZINC000161495726 432783367 /nfs/dbraw/zinc/78/33/67/432783367.db2.gz QEZAQUMNIBJMJI-HUUCEWRRSA-N 1 0 316.470 3.449 20 70 DGIDRO C[C@H]1C[C@H](NC(=O)NCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000161502718 432783793 /nfs/dbraw/zinc/78/37/93/432783793.db2.gz XGBBYQAEBRXFHP-LPHOPBHVSA-N 1 0 323.440 3.149 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCCc1ccccc1 ZINC000159418839 292792441 /nfs/dbraw/zinc/79/24/41/292792441.db2.gz OXPUMWQFWCJERZ-SJORKVTESA-N 1 0 310.441 3.393 20 70 DGIDRO Cc1cc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)ccc1F ZINC000159597523 292796311 /nfs/dbraw/zinc/79/63/11/292796311.db2.gz DISDUFSFSSNNOJ-UHFFFAOYSA-N 1 0 321.440 3.150 20 70 DGIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1[nH]c(C)cc1C ZINC000159728648 292798952 /nfs/dbraw/zinc/79/89/52/292798952.db2.gz SILYZWBMHUTCBY-UHFFFAOYSA-N 1 0 313.445 3.403 20 70 DGIDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)C(C)(C)c1ccccc1 ZINC000160073288 292807001 /nfs/dbraw/zinc/80/70/01/292807001.db2.gz QQTQMPOMPWNIIH-MRXNPFEDSA-N 1 0 310.441 3.259 20 70 DGIDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160946374 292824804 /nfs/dbraw/zinc/82/48/04/292824804.db2.gz UAZGBBZSJGTPSN-JFDDCEBESA-N 1 0 318.461 3.077 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000161154827 292829358 /nfs/dbraw/zinc/82/93/58/292829358.db2.gz HLZZXSVEZQIVNF-MRXNPFEDSA-N 1 0 322.408 3.339 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000160205900 295623480 /nfs/dbraw/zinc/62/34/80/295623480.db2.gz KOPOPGXNOXMFMR-FZMZJTMJSA-N 1 0 315.866 3.257 20 70 DGIDRO COc1ccccc1CC(C)(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000159581585 534015392 /nfs/dbraw/zinc/01/53/92/534015392.db2.gz TXIHBMQICYJLEN-UHFFFAOYSA-N 1 0 318.461 3.042 20 70 DGIDRO CCC(CC)c1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)on1 ZINC000161069988 521630589 /nfs/dbraw/zinc/63/05/89/521630589.db2.gz JEVMFOJFFQVZQD-CYBMUJFWSA-N 1 0 307.438 3.040 20 70 DGIDRO O=C(NCC[NH+]1CCCCCC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160221370 526309476 /nfs/dbraw/zinc/30/94/76/526309476.db2.gz UQLOKILOWNWIIS-GDBMZVCRSA-N 1 0 322.399 3.061 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3c(s1)CCCC3)CC2 ZINC000160412644 527196399 /nfs/dbraw/zinc/19/63/99/527196399.db2.gz ZRZNGLMJDVJFRW-RISCZKNCSA-N 1 0 316.474 3.192 20 70 DGIDRO CCOCCC1(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000160645209 528605320 /nfs/dbraw/zinc/60/53/20/528605320.db2.gz CGJQNARBLNBZNU-KRWDZBQOSA-N 1 0 318.461 3.002 20 70 DGIDRO CCN(c1ccc(C(=O)NCC([NH3+])(CC)CC)cc1)C(C)C ZINC000160537087 528930010 /nfs/dbraw/zinc/93/00/10/528930010.db2.gz KLZPKXBHHWEXFH-UHFFFAOYSA-N 1 0 305.466 3.169 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2cccc(C)c2)CC1 ZINC000159778052 529023010 /nfs/dbraw/zinc/02/30/10/529023010.db2.gz KEHPCFYIVKNQGK-UHFFFAOYSA-N 1 0 317.477 3.010 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000159832415 529031197 /nfs/dbraw/zinc/03/11/97/529031197.db2.gz UNJGEEAOZYGOKE-MRXNPFEDSA-N 1 0 303.450 3.102 20 70 DGIDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1F ZINC000160177111 546059431 /nfs/dbraw/zinc/05/94/31/546059431.db2.gz RKTIVTHESHTWCZ-CXAGYDPISA-N 1 0 304.409 3.410 20 70 DGIDRO C[C@@H](CCCO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160335991 546060070 /nfs/dbraw/zinc/06/00/70/546060070.db2.gz JINKTJNNUQKLMA-NSHDSACASA-N 1 0 323.234 3.248 20 70 DGIDRO CCOc1cc2c(cc1C[NH2+][C@H]1CCOC(C)(C)C1)O[C@H](C)C2 ZINC000160535265 546060666 /nfs/dbraw/zinc/06/06/66/546060666.db2.gz LYUJXKYJZQEUGQ-CJNGLKHVSA-N 1 0 319.445 3.456 20 70 DGIDRO C[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccncc1 ZINC000160737793 546061737 /nfs/dbraw/zinc/06/17/37/546061737.db2.gz GQSQZIMWMCJFKB-SJLPKXTDSA-N 1 0 315.461 3.052 20 70 DGIDRO C[C@@H](CC(=O)N1CC[N@H+](C)CC12CCCCC2)c1ccncc1 ZINC000160934025 546063584 /nfs/dbraw/zinc/06/35/84/546063584.db2.gz PTJGQVHODASGQN-INIZCTEOSA-N 1 0 315.461 3.052 20 70 DGIDRO C[C@H](CC(=O)N1CC[N@H+](C)CC12CCCCC2)c1ccncc1 ZINC000160934156 546063909 /nfs/dbraw/zinc/06/39/09/546063909.db2.gz PTJGQVHODASGQN-MRXNPFEDSA-N 1 0 315.461 3.052 20 70 DGIDRO Cc1ccc(C)c(OCCCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161069463 546064584 /nfs/dbraw/zinc/06/45/84/546064584.db2.gz RYYCGJSSBMQZGS-IAGOWNOFSA-N 1 0 318.461 3.239 20 70 DGIDRO C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)Cc1cccs1 ZINC000161097165 546064928 /nfs/dbraw/zinc/06/49/28/546064928.db2.gz PRMDVFSSPYRXIK-IAQYHMDHSA-N 1 0 322.861 3.396 20 70 DGIDRO C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)Cc1cccs1 ZINC000161097043 546065256 /nfs/dbraw/zinc/06/52/56/546065256.db2.gz PRMDVFSSPYRXIK-XHDPSFHLSA-N 1 0 322.861 3.396 20 70 DGIDRO Cc1ccc(SCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000161132048 546065521 /nfs/dbraw/zinc/06/55/21/546065521.db2.gz BRXDJNLOJLLBJN-LSDHHAIUSA-N 1 0 306.475 3.172 20 70 DGIDRO C[C@@H](NC(=O)c1cc2ccc(F)cc2s1)[C@H]1CCC[NH2+]C1 ZINC000161199869 546065669 /nfs/dbraw/zinc/06/56/69/546065669.db2.gz SXKNWFKXJQVZPR-PWSUYJOCSA-N 1 0 306.406 3.158 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCSc2ccc(Cl)cc2)C1 ZINC000161169372 546066112 /nfs/dbraw/zinc/06/61/12/546066112.db2.gz NNOKFMUIQQKMPP-OLZOCXBDSA-N 1 0 312.866 3.208 20 70 DGIDRO Cc1csc(-c2cccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2)n1 ZINC000161410163 546068582 /nfs/dbraw/zinc/06/85/82/546068582.db2.gz YJVXPFGEOUOUNK-LSDHHAIUSA-N 1 0 315.442 3.118 20 70 DGIDRO CC[C@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1ccc(C)cc1 ZINC000216642090 546262979 /nfs/dbraw/zinc/26/29/79/546262979.db2.gz BMVKDADCRIFLKB-OALUTQOASA-N 1 0 304.478 3.393 20 70 DGIDRO CC1CCC([NH+]2CCN(Cc3ccnc(Cl)c3)CC2)CC1 ZINC000217213933 627049792 /nfs/dbraw/zinc/04/97/92/627049792.db2.gz SRCGHAUDSZSABH-UHFFFAOYSA-N 1 0 307.869 3.431 20 70 DGIDRO Clc1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nn1 ZINC000218769087 627122922 /nfs/dbraw/zinc/12/29/22/627122922.db2.gz ZHSSFZHHXSMCQY-CQSZACIVSA-N 1 0 302.809 3.379 20 70 DGIDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1(C)CCC1)c1ccccc1 ZINC000161217192 292831643 /nfs/dbraw/zinc/83/16/43/292831643.db2.gz UGFAOPUTHUWVLF-CQSZACIVSA-N 1 0 303.450 3.358 20 70 DGIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000160087700 529690816 /nfs/dbraw/zinc/69/08/16/529690816.db2.gz NKNLXFBYHTXEAI-HOCLYGCPSA-N 1 0 308.466 3.475 20 70 DGIDRO CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H](C)SC)cc1 ZINC000159758739 186139658 /nfs/dbraw/zinc/13/96/58/186139658.db2.gz AZAUZPONGBTBNA-AWEZNQCLSA-N 1 0 324.490 3.487 20 70 DGIDRO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COC(C)C)cc1 ZINC000216903477 201502549 /nfs/dbraw/zinc/50/25/49/201502549.db2.gz MTLKCQJTOBFGAT-MJGOQNOKSA-N 1 0 321.461 3.398 20 70 DGIDRO C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cnn(C)c1 ZINC000161159345 197470172 /nfs/dbraw/zinc/47/01/72/197470172.db2.gz QEPLYXUSZUKGBE-LLVKDONJSA-N 1 0 313.323 3.212 20 70 DGIDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC(=O)NC(C)C ZINC000160974377 197453397 /nfs/dbraw/zinc/45/33/97/197453397.db2.gz SWAVXMYIVWYOPM-MRXNPFEDSA-N 1 0 316.470 3.455 20 70 DGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)s2)cc1 ZINC000160956660 197452893 /nfs/dbraw/zinc/45/28/93/197452893.db2.gz WSGHJORCMALDBH-ZDUSSCGKSA-N 1 0 318.442 3.032 20 70 DGIDRO CCCOc1cccc(CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000160689590 197431915 /nfs/dbraw/zinc/43/19/15/197431915.db2.gz LDCLATHLBXDTTH-UHFFFAOYSA-N 1 0 318.461 3.007 20 70 DGIDRO CCN(C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000160313451 197399796 /nfs/dbraw/zinc/39/97/96/197399796.db2.gz XRRPMBSXTXDKRN-WBVHZDCISA-N 1 0 303.450 3.089 20 70 DGIDRO CC[C@H](CC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(C)cc1 ZINC000160277046 197397498 /nfs/dbraw/zinc/39/74/98/197397498.db2.gz BBOIRNHRGCAFMA-DLBZAZTESA-N 1 0 302.462 3.289 20 70 DGIDRO CC(C)CC[C@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160220644 197394036 /nfs/dbraw/zinc/39/40/36/197394036.db2.gz XMDMEROUCUFOKL-HNNXBMFYSA-N 1 0 303.450 3.101 20 70 DGIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nnc(C2CC2)s1 ZINC000160225757 197394080 /nfs/dbraw/zinc/39/40/80/197394080.db2.gz HNBVINNDHMJYQY-DOMZBBRYSA-N 1 0 314.458 3.348 20 70 DGIDRO CC[N@H+](C)CCNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000160145404 197389168 /nfs/dbraw/zinc/38/91/68/197389168.db2.gz RQUPKHYNVOREAL-LBPRGKRZSA-N 1 0 316.367 3.267 20 70 DGIDRO CC[C@@H](C(=O)NCC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000160053785 197382382 /nfs/dbraw/zinc/38/23/82/197382382.db2.gz HEWXCVZQLVQDIT-GFCCVEGCSA-N 1 0 302.340 3.053 20 70 DGIDRO CC[C@@H](CC(=O)NC[C@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000160129591 197388227 /nfs/dbraw/zinc/38/82/27/197388227.db2.gz NIVCEVYEZLNZMK-CVEARBPZSA-N 1 0 318.461 3.037 20 70 DGIDRO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C)C1CC1 ZINC000160104313 197386702 /nfs/dbraw/zinc/38/67/02/197386702.db2.gz PIHQCWWORGHRDW-OLZOCXBDSA-N 1 0 308.853 3.465 20 70 DGIDRO CC[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)c1cnn(C)c1 ZINC000159832804 197367071 /nfs/dbraw/zinc/36/70/71/197367071.db2.gz ISNPTOMDQXKLJP-LJQANCHMSA-N 1 0 323.444 3.464 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc3ccccc32)CC1 ZINC000159778505 197363719 /nfs/dbraw/zinc/36/37/19/197363719.db2.gz PURMEROLZJIGKU-UHFFFAOYSA-N 1 0 311.429 3.077 20 70 DGIDRO Cc1c(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cnn1C ZINC000159778260 197363863 /nfs/dbraw/zinc/36/38/63/197363863.db2.gz RJZLTWLAMGSJBQ-JTQLQIEISA-N 1 0 313.323 3.478 20 70 DGIDRO [NH3+]C1(CNC(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC000159484903 197357012 /nfs/dbraw/zinc/35/70/12/197357012.db2.gz XQHZOVXSAZOHJK-UHFFFAOYSA-N 1 0 301.217 3.385 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000159529240 197360663 /nfs/dbraw/zinc/36/06/63/197360663.db2.gz DIOCJFITVMKIAJ-CYBMUJFWSA-N 1 0 309.841 3.138 20 70 DGIDRO CCN(CC[NH2+][C@H](C)c1cnc(C)nc1C)C(=O)OC(C)(C)C ZINC000159458181 197355374 /nfs/dbraw/zinc/35/53/74/197355374.db2.gz MGGRPCFJSUEEMJ-GFCCVEGCSA-N 1 0 322.453 3.001 20 70 DGIDRO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000159428169 197353123 /nfs/dbraw/zinc/35/31/23/197353123.db2.gz BMHOLYBKEFNMDQ-LOUJCGABSA-N 1 0 304.409 3.253 20 70 DGIDRO O=C1CCCN1CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000159540372 296318466 /nfs/dbraw/zinc/31/84/66/296318466.db2.gz ILEVOFTVUJDJQR-INIZCTEOSA-N 1 0 314.429 3.035 20 70 DGIDRO CCc1ccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000159514245 400729975 /nfs/dbraw/zinc/72/99/75/400729975.db2.gz DOKJMLONLHGYJG-DOTOQJQBSA-N 1 0 302.462 3.201 20 70 DGIDRO COc1cccc(C2(CNC(=O)CC[NH2+]C(C)C)CCCC2)c1 ZINC000159476891 400730228 /nfs/dbraw/zinc/73/02/28/400730228.db2.gz LKMVFPWBISOXKA-UHFFFAOYSA-N 1 0 318.461 3.011 20 70 DGIDRO CCc1ccc([C@@H](C)CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000159494917 400730258 /nfs/dbraw/zinc/73/02/58/400730258.db2.gz CWAUEFQNWPPWPZ-HNAYVOBHSA-N 1 0 314.473 3.343 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000160107773 400732690 /nfs/dbraw/zinc/73/26/90/400732690.db2.gz IZPIJAJLYAYNHP-HOTGVXAUSA-N 1 0 311.491 3.164 20 70 DGIDRO CC[C@H]([NH2+]CCN1C(=O)Cc2ccccc21)c1ccc(F)cc1 ZINC000160861590 400736694 /nfs/dbraw/zinc/73/66/94/400736694.db2.gz CZTGTZXNOTUHHE-KRWDZBQOSA-N 1 0 312.388 3.456 20 70 DGIDRO CSCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000216822521 165375496 /nfs/dbraw/zinc/37/54/96/165375496.db2.gz SWLFVXWVLDWUGG-UHFFFAOYSA-N 1 0 304.381 3.190 20 70 DGIDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1COc2ccccc2O1 ZINC000217391261 165378391 /nfs/dbraw/zinc/37/83/91/165378391.db2.gz CHQGRJDRMDWICJ-KRWDZBQOSA-N 1 0 313.397 3.357 20 70 DGIDRO CC[C@H](C(=O)N[C@H]1CCSc2ccc(Cl)cc21)[NH+](C)C ZINC000160095289 273741256 /nfs/dbraw/zinc/74/12/56/273741256.db2.gz CEQGTFODYHJXMB-QWHCGFSZSA-N 1 0 312.866 3.333 20 70 DGIDRO CSc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1F ZINC000160404978 274188587 /nfs/dbraw/zinc/18/85/87/274188587.db2.gz UXWSDUUHNKRNSI-GWCFXTLKSA-N 1 0 320.437 3.113 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000159745996 276161897 /nfs/dbraw/zinc/16/18/97/276161897.db2.gz SDHXMRXYWKNYHG-MRXNPFEDSA-N 1 0 321.852 3.065 20 70 DGIDRO CC(C)CCn1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n1 ZINC000160365485 277368511 /nfs/dbraw/zinc/36/85/11/277368511.db2.gz OGLITAPOZWDQKT-AWEZNQCLSA-N 1 0 323.485 3.027 20 70 DGIDRO CC1(C)C[C@H](NC(=O)c2ccc(C[NH3+])cc2)c2ccccc2O1 ZINC000161394994 278386771 /nfs/dbraw/zinc/38/67/71/278386771.db2.gz UUHPSNUNHYROAQ-INIZCTEOSA-N 1 0 310.397 3.178 20 70 DGIDRO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000161097360 278387024 /nfs/dbraw/zinc/38/70/24/278387024.db2.gz LFXMIWCPABBKLM-KPZWWZAWSA-N 1 0 312.388 3.338 20 70 DGIDRO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161247782 280157589 /nfs/dbraw/zinc/15/75/89/280157589.db2.gz JTNLASZEBUXFFH-ROUUACIJSA-N 1 0 302.462 3.307 20 70 DGIDRO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CO1 ZINC000161469256 292658870 /nfs/dbraw/zinc/65/88/70/292658870.db2.gz HATMDTXUEARMAJ-KXBFYZLASA-N 1 0 324.424 3.056 20 70 DGIDRO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000159828833 432697969 /nfs/dbraw/zinc/69/79/69/432697969.db2.gz RLFQSGMWMFZDKL-UHFFFAOYSA-N 1 0 312.413 3.171 20 70 DGIDRO CN(C)c1cccc(C[N@H+](C)CCC(=O)Nc2ccccc2)c1 ZINC000159806655 432698186 /nfs/dbraw/zinc/69/81/86/432698186.db2.gz TVWIKJWWCMESLA-UHFFFAOYSA-N 1 0 311.429 3.213 20 70 DGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1cncs1 ZINC000159804688 432698201 /nfs/dbraw/zinc/69/82/01/432698201.db2.gz DHBPUWCGTSURGE-UONOGXRCSA-N 1 0 301.459 3.241 20 70 DGIDRO Cc1ccc(-c2cc(CSCCN3CCOCC3)on2)cc1 ZINC000159862131 432700083 /nfs/dbraw/zinc/70/00/83/432700083.db2.gz YHQSTHZEIJSFML-UHFFFAOYSA-N 1 0 318.442 3.215 20 70 DGIDRO CCC[N@H+](CC)CCNC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000159911628 432701161 /nfs/dbraw/zinc/70/11/61/432701161.db2.gz QBXFFUYLNPUDSR-ZDUSSCGKSA-N 1 0 312.404 3.307 20 70 DGIDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159937367 432701732 /nfs/dbraw/zinc/70/17/32/432701732.db2.gz BEHLRGOMHNCRLD-AWEZNQCLSA-N 1 0 320.481 3.167 20 70 DGIDRO CCC[NH+](CCC)CCCC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000160000804 432703200 /nfs/dbraw/zinc/70/32/00/432703200.db2.gz FVZXJVCWNNPEIW-KRWDZBQOSA-N 1 0 324.509 3.497 20 70 DGIDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCOC1 ZINC000160547293 432726199 /nfs/dbraw/zinc/72/61/99/432726199.db2.gz SITBQMSSGUECAI-ZWKOTPCHSA-N 1 0 317.477 3.367 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160074241 432707185 /nfs/dbraw/zinc/70/71/85/432707185.db2.gz STIFLLAIBYNJOK-KGLIPLIRSA-N 1 0 317.477 3.297 20 70 DGIDRO CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000160130942 432708878 /nfs/dbraw/zinc/70/88/78/432708878.db2.gz KLKPUKBGLLUSPG-SFHVURJKSA-N 1 0 309.413 3.087 20 70 DGIDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000160549764 432726474 /nfs/dbraw/zinc/72/64/74/432726474.db2.gz DHWFLJDIZGDEQD-KRWDZBQOSA-N 1 0 321.417 3.340 20 70 DGIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000160329671 432715607 /nfs/dbraw/zinc/71/56/07/432715607.db2.gz HSQNYKNOJCYQCD-XJKSGUPXSA-N 1 0 308.853 3.119 20 70 DGIDRO CCc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(-c2ccncc2)n1 ZINC000160366742 432717927 /nfs/dbraw/zinc/71/79/27/432717927.db2.gz MLKZQXJJPIHBMP-SJORKVTESA-N 1 0 324.428 3.471 20 70 DGIDRO CN(CC(=O)N[C@@H]1CCCc2sccc21)Cc1ccccc1 ZINC000160377318 432717966 /nfs/dbraw/zinc/71/79/66/432717966.db2.gz AKVQSSOXIGGNDP-MRXNPFEDSA-N 1 0 314.454 3.374 20 70 DGIDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)c(OC(F)F)c1 ZINC000160455906 432720457 /nfs/dbraw/zinc/72/04/57/432720457.db2.gz JEUBIWBGEBDRDF-LBPRGKRZSA-N 1 0 315.360 3.344 20 70 DGIDRO COCCCOc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000160465566 432723108 /nfs/dbraw/zinc/72/31/08/432723108.db2.gz ZOEPGVFIIIEVPX-MRXNPFEDSA-N 1 0 307.434 3.149 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](CC(C)C)c1cccs1)CC2 ZINC000160476438 432723275 /nfs/dbraw/zinc/72/32/75/432723275.db2.gz VTZUYNVTSNQUIF-ZIAGYGMSSA-N 1 0 304.463 3.340 20 70 DGIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC(F)F ZINC000160518365 432724269 /nfs/dbraw/zinc/72/42/69/432724269.db2.gz DCAUKWKRSGNKAG-LBPRGKRZSA-N 1 0 315.360 3.344 20 70 DGIDRO C[N@H+](CCCNC(=O)N1CCC2(CCC2)C1)Cc1ccccc1 ZINC000159368617 432681952 /nfs/dbraw/zinc/68/19/52/432681952.db2.gz GETSFLKBZUDFJW-UHFFFAOYSA-N 1 0 315.461 3.094 20 70 DGIDRO C[N@@H+](Cc1cc(F)ccc1Br)C[C@@H]1CCC[C@@H]1O ZINC000159587346 432687575 /nfs/dbraw/zinc/68/75/75/432687575.db2.gz WHTFYMOHFHBLMA-HZMBPMFUSA-N 1 0 316.214 3.181 20 70 DGIDRO CC[C@H](OC1CCCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159640857 432691015 /nfs/dbraw/zinc/69/10/15/432691015.db2.gz BRQUQRLFVZIYKM-KRWDZBQOSA-N 1 0 310.482 3.153 20 70 DGIDRO CCOc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159698519 432691364 /nfs/dbraw/zinc/69/13/64/432691364.db2.gz CEBJVJULKRUJAM-UHFFFAOYSA-N 1 0 304.434 3.128 20 70 DGIDRO CCOC[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159678006 432691371 /nfs/dbraw/zinc/69/13/71/432691371.db2.gz YNNNKPIRRKQUBC-KRWDZBQOSA-N 1 0 324.509 3.020 20 70 DGIDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)o1 ZINC000160870195 432747973 /nfs/dbraw/zinc/74/79/73/432747973.db2.gz LTYBPBGPAHNYEA-UHFFFAOYSA-N 1 0 300.402 3.057 20 70 DGIDRO COc1ccc([C@H](CCC(C)C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160914370 432750116 /nfs/dbraw/zinc/75/01/16/432750116.db2.gz JTOKWIJHZNADQK-KRWDZBQOSA-N 1 0 306.450 3.287 20 70 DGIDRO CC[N@@H+](Cc1cccc2c[nH]nc21)C[C@@H]1COc2ccccc2O1 ZINC000160951703 432750616 /nfs/dbraw/zinc/75/06/16/432750616.db2.gz LYQGVDIDDRAKLW-MRXNPFEDSA-N 1 0 323.396 3.225 20 70 DGIDRO Cc1cccc([C@H]2CCC[N@H+]2CCCS(=O)(=O)C(C)C)c1 ZINC000160966410 432751458 /nfs/dbraw/zinc/75/14/58/432751458.db2.gz MMFPLYSPZICNCX-QGZVFWFLSA-N 1 0 309.475 3.345 20 70 DGIDRO CC[C@@H](C(=O)Nc1nc(-c2ccccc2F)cs1)[NH+](C)C ZINC000160996658 432752423 /nfs/dbraw/zinc/75/24/23/432752423.db2.gz KJRZQKCRGQYLEX-ZDUSSCGKSA-N 1 0 307.394 3.228 20 70 DGIDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1cccs1 ZINC000160978724 432752935 /nfs/dbraw/zinc/75/29/35/432752935.db2.gz RVMLWWOUEBUDCI-HNNXBMFYSA-N 1 0 318.442 3.114 20 70 DGIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160988940 432753135 /nfs/dbraw/zinc/75/31/35/432753135.db2.gz FOQNPOVOGZQWEU-LDYMZIIASA-N 1 0 321.273 3.251 20 70 DGIDRO C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccccc2)CN1Cc1ccccc1 ZINC000160976406 432753193 /nfs/dbraw/zinc/75/31/93/432753193.db2.gz NIOMJDPBSYHAFK-JRGCBEDISA-N 1 0 324.468 3.363 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccc2c(c1)OCCO2 ZINC000161025211 432753915 /nfs/dbraw/zinc/75/39/15/432753915.db2.gz HEGXUODQGMKUFB-SCLBCKFNSA-N 1 0 313.401 3.296 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc2c(c1)OCCO2 ZINC000161026183 432754241 /nfs/dbraw/zinc/75/42/41/432754241.db2.gz ORAXSPVZXULNEH-SCLBCKFNSA-N 1 0 315.417 3.239 20 70 DGIDRO Cc1cnc(CC[N@@H+](C)CCN(C)Cc2ccc(F)cc2)s1 ZINC000161026307 432754597 /nfs/dbraw/zinc/75/45/97/432754597.db2.gz NXVWJRDOVYVLDU-UHFFFAOYSA-N 1 0 321.465 3.197 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)CCc2ccc(Cl)s2)CC1 ZINC000161046498 432756967 /nfs/dbraw/zinc/75/69/67/432756967.db2.gz SQNHMWXYAGJQFM-UHFFFAOYSA-N 1 0 314.882 3.182 20 70 DGIDRO CCCCc1ccc(CC(=O)N2CCC(C[NH2+]CC)CC2)cc1 ZINC000161133243 432761097 /nfs/dbraw/zinc/76/10/97/432761097.db2.gz VMTOXFPDFHTNLW-UHFFFAOYSA-N 1 0 316.489 3.420 20 70 DGIDRO c1ccc2c(c1)CC[C@H]2[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161145125 432761726 /nfs/dbraw/zinc/76/17/26/432761726.db2.gz DRTBGEBYRBQGCH-QGZVFWFLSA-N 1 0 310.445 3.214 20 70 DGIDRO C[C@@H](CC1CCOCC1)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000161117814 432761845 /nfs/dbraw/zinc/76/18/45/432761845.db2.gz UGQIYCIVQAGNRI-LBPRGKRZSA-N 1 0 310.825 3.073 20 70 DGIDRO C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cnccn1 ZINC000161158317 432762763 /nfs/dbraw/zinc/76/27/63/432762763.db2.gz FDKCYHFGKJKQKT-NSHDSACASA-N 1 0 311.307 3.269 20 70 DGIDRO COc1cc(OC)c([C@H](C)NC2CC[NH+](C)CC2)cc1Cl ZINC000161509628 432782528 /nfs/dbraw/zinc/78/25/28/432782528.db2.gz PZAOLFLIRQGPGK-NSHDSACASA-N 1 0 312.841 3.102 20 70 DGIDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)o1 ZINC000161185451 432764758 /nfs/dbraw/zinc/76/47/58/432764758.db2.gz FLXIEPJZJAITGV-CQSZACIVSA-N 1 0 302.422 3.189 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000161176555 432765732 /nfs/dbraw/zinc/76/57/32/432765732.db2.gz JPXKALMKIPFKEX-NSHDSACASA-N 1 0 314.376 3.230 20 70 DGIDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NC1(C)CCC1)c1ccccc1 ZINC000161217066 432766021 /nfs/dbraw/zinc/76/60/21/432766021.db2.gz UGFAOPUTHUWVLF-AWEZNQCLSA-N 1 0 303.450 3.358 20 70 DGIDRO CCCOc1c(Cl)cc(C[N@H+](CCC)CCO)cc1OC ZINC000161206584 432766890 /nfs/dbraw/zinc/76/68/90/432766890.db2.gz DIGQKZLWUTWVCS-UHFFFAOYSA-N 1 0 315.841 3.342 20 70 DGIDRO CC(C)n1cccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000161272701 432770048 /nfs/dbraw/zinc/77/00/48/432770048.db2.gz UPZXXOWPMGYNLT-CQSZACIVSA-N 1 0 305.447 3.163 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000161256209 432770068 /nfs/dbraw/zinc/77/00/68/432770068.db2.gz HYNIJLSYAFQGFR-GFCCVEGCSA-N 1 0 322.453 3.060 20 70 DGIDRO CC[C@H](C[NH2+]C1CCC2(CC1)OCCO2)Oc1cccc(C)c1 ZINC000161313295 432773479 /nfs/dbraw/zinc/77/34/79/432773479.db2.gz PQELNFHQXYEABA-QGZVFWFLSA-N 1 0 319.445 3.428 20 70 DGIDRO CN(Cc1csc2ccccc12)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161341889 432774490 /nfs/dbraw/zinc/77/44/90/432774490.db2.gz XMWYTWGRKBEEHU-KRWDZBQOSA-N 1 0 302.443 3.249 20 70 DGIDRO c1nc2ccccn2c1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000161438919 432779719 /nfs/dbraw/zinc/77/97/19/432779719.db2.gz PDJXGUOTKUPSOI-SFHVURJKSA-N 1 0 321.424 3.168 20 70 DGIDRO C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000161492976 432781560 /nfs/dbraw/zinc/78/15/60/432781560.db2.gz HPANMQRLYBWREY-GASCZTMLSA-N 1 0 318.486 3.248 20 70 DGIDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cnn(C)c1 ZINC000160608357 432731185 /nfs/dbraw/zinc/73/11/85/432731185.db2.gz BEQBRFQMGFLKJW-LBPRGKRZSA-N 1 0 304.463 3.039 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)on1 ZINC000160637016 432732553 /nfs/dbraw/zinc/73/25/53/432732553.db2.gz HDFMFHHCORYMDM-GJZGRUSLSA-N 1 0 321.465 3.430 20 70 DGIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCO1 ZINC000160647869 432733192 /nfs/dbraw/zinc/73/31/92/432733192.db2.gz MURNDDDETDNARP-SJLPKXTDSA-N 1 0 319.445 3.292 20 70 DGIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCO1 ZINC000160647984 432733963 /nfs/dbraw/zinc/73/39/63/432733963.db2.gz MURNDDDETDNARP-FUHWJXTLSA-N 1 0 319.445 3.292 20 70 DGIDRO C[N@H+](CCNC(=O)/C=C/c1ccc(Cl)nc1)C1CCCCC1 ZINC000160657143 432734473 /nfs/dbraw/zinc/73/44/73/432734473.db2.gz FBWPTHUYSLBLLG-CSKARUKUSA-N 1 0 321.852 3.129 20 70 DGIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)C1 ZINC000160714132 432737687 /nfs/dbraw/zinc/73/76/87/432737687.db2.gz LYUVLVOLNOVEJA-AWEZNQCLSA-N 1 0 318.417 3.297 20 70 DGIDRO CC[C@@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000160799733 432741819 /nfs/dbraw/zinc/74/18/19/432741819.db2.gz GQQFEUGCBNJJEU-IXDOHACOSA-N 1 0 306.425 3.308 20 70 DGIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](CCCO)c1ccccc1 ZINC000160794751 432741925 /nfs/dbraw/zinc/74/19/25/432741925.db2.gz KYMDMOVUNYHWBF-UXHICEINSA-N 1 0 313.441 3.348 20 70 DGIDRO CC[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000160799599 432742979 /nfs/dbraw/zinc/74/29/79/432742979.db2.gz GQQFEUGCBNJJEU-IKGGRYGDSA-N 1 0 306.425 3.308 20 70 DGIDRO Cc1sc2[nH]c(CN(C)[C@H](C)c3ccco3)nc(=O)c2c1C ZINC000161501167 432783226 /nfs/dbraw/zinc/78/32/26/432783226.db2.gz KAGMZIVLMWVZQR-SNVBAGLBSA-N 1 0 317.414 3.387 20 70 DGIDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1cccc(F)c1F ZINC000159698025 292798271 /nfs/dbraw/zinc/79/82/71/292798271.db2.gz WBGPQRDQCPXIGM-LBPRGKRZSA-N 1 0 313.392 3.057 20 70 DGIDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1(C)C ZINC000159803777 292800957 /nfs/dbraw/zinc/80/09/57/292800957.db2.gz AOVUXYBPAGGGIC-DJIMGWMZSA-N 1 0 305.466 3.371 20 70 DGIDRO C[NH+]1CCC(Oc2ccc(NCc3ccc(F)cc3)cn2)CC1 ZINC000160081780 292806916 /nfs/dbraw/zinc/80/69/16/292806916.db2.gz SENOAOVJGSUWQA-UHFFFAOYSA-N 1 0 315.392 3.306 20 70 DGIDRO CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000161264888 292832103 /nfs/dbraw/zinc/83/21/03/292832103.db2.gz CNRQRYCDPMZNFP-GFJIZPEISA-N 1 0 306.372 3.144 20 70 DGIDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCSC1 ZINC000161249531 292832207 /nfs/dbraw/zinc/83/22/07/292832207.db2.gz ULPRATIUXLMMQJ-STQMWFEESA-N 1 0 302.484 3.021 20 70 DGIDRO CCSCc1cccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000161480626 292835676 /nfs/dbraw/zinc/83/56/76/292835676.db2.gz KSVXLYJDUQPUJN-QGZVFWFLSA-N 1 0 314.454 3.448 20 70 DGIDRO C[C@@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(Br)cc1F ZINC000217509810 337317897 /nfs/dbraw/zinc/31/78/97/337317897.db2.gz UZLGYAIZOBTSFB-KKFJDGPESA-N 1 0 302.187 3.416 20 70 DGIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCCCCC3)c2c1 ZINC000160494172 534248520 /nfs/dbraw/zinc/24/85/20/534248520.db2.gz NOWFQTXCZHTFAR-UHFFFAOYSA-N 1 0 314.385 3.013 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)ccn1 ZINC000160810106 519326537 /nfs/dbraw/zinc/32/65/37/519326537.db2.gz HCSYUSZEYKPNCF-ZMSDIMECSA-N 1 0 306.450 3.410 20 70 DGIDRO CCCC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160429564 521008327 /nfs/dbraw/zinc/00/83/27/521008327.db2.gz CHEUILPKHAFFAM-OAHLLOKOSA-N 1 0 324.490 3.139 20 70 DGIDRO CC[C@H](COC)[NH2+]CCCc1cn(-c2ccccc2)nc1C ZINC000160040343 522257316 /nfs/dbraw/zinc/25/73/16/522257316.db2.gz QWBPFBJHEDKYNJ-QGZVFWFLSA-N 1 0 301.434 3.128 20 70 DGIDRO COC[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(C)C ZINC000161143789 522380907 /nfs/dbraw/zinc/38/09/07/522380907.db2.gz KZHZGLLJKUUNSG-QAPCUYQASA-N 1 0 305.418 3.170 20 70 DGIDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C(C)C ZINC000160502081 522751478 /nfs/dbraw/zinc/75/14/78/522751478.db2.gz CNXTYBODAUVEAY-KRWDZBQOSA-N 1 0 305.466 3.079 20 70 DGIDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccc(OC(F)F)cc1 ZINC000160359821 522944241 /nfs/dbraw/zinc/94/42/41/522944241.db2.gz NPTWYWDENAIVMK-TZMCWYRMSA-N 1 0 319.417 3.443 20 70 DGIDRO C[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)COCc1ccccc1 ZINC000161312803 524498084 /nfs/dbraw/zinc/49/80/84/524498084.db2.gz UNNUZHFFBGNQQX-CRAIPNDOSA-N 1 0 313.445 3.240 20 70 DGIDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C1CCOCC1 ZINC000160513602 525446485 /nfs/dbraw/zinc/44/64/85/525446485.db2.gz CFILUCNPHQXGEJ-INIZCTEOSA-N 1 0 317.477 3.223 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000160316903 525641648 /nfs/dbraw/zinc/64/16/48/525641648.db2.gz KBLZFSRDIHVYRE-ZWNOBZJWSA-N 1 0 307.381 3.470 20 70 DGIDRO Cc1csc(Nc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000159421825 526395222 /nfs/dbraw/zinc/39/52/22/526395222.db2.gz BHSMQZUBVJSIAH-GFCCVEGCSA-N 1 0 316.430 3.133 20 70 DGIDRO CC[C@@H](C)C[N@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000161047788 529313746 /nfs/dbraw/zinc/31/37/46/529313746.db2.gz UNEVNQQNXVQGQR-GFCCVEGCSA-N 1 0 316.401 3.115 20 70 DGIDRO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000159434100 546053377 /nfs/dbraw/zinc/05/33/77/546053377.db2.gz SDKYRRGXAQVVIM-NHYWBVRUSA-N 1 0 302.349 3.101 20 70 DGIDRO CCC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC000159386231 546053415 /nfs/dbraw/zinc/05/34/15/546053415.db2.gz IDABNKMTUQIEGW-FUHWJXTLSA-N 1 0 315.461 3.304 20 70 DGIDRO C[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccncc1 ZINC000159909412 546057086 /nfs/dbraw/zinc/05/70/86/546057086.db2.gz BFDPOHZMSRVQBV-WMZOPIPTSA-N 1 0 315.461 3.052 20 70 DGIDRO CCn1nccc1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000160003758 546057249 /nfs/dbraw/zinc/05/72/49/546057249.db2.gz NRXGUWKRCKZXIB-UHFFFAOYSA-N 1 0 322.412 3.167 20 70 DGIDRO CCn1nccc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000159995529 546057307 /nfs/dbraw/zinc/05/73/07/546057307.db2.gz CRYCXQXSZWRNFV-CYBMUJFWSA-N 1 0 303.406 3.079 20 70 DGIDRO COc1cc(C[NH2+][C@@H]2CCCOC2)ccc1OC1CCCC1 ZINC000160288843 546058989 /nfs/dbraw/zinc/05/89/89/546058989.db2.gz RFQLWTMFUBUCFZ-OAHLLOKOSA-N 1 0 305.418 3.285 20 70 DGIDRO C[C@@H](CC(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccncc1 ZINC000160399153 546060007 /nfs/dbraw/zinc/06/00/07/546060007.db2.gz ZLMMEVYEAKPCPR-HNNXBMFYSA-N 1 0 311.429 3.318 20 70 DGIDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160735950 546062035 /nfs/dbraw/zinc/06/20/35/546062035.db2.gz VKCFWBPQQLPPSU-HZMBPMFUSA-N 1 0 303.324 3.349 20 70 DGIDRO COc1ccc2sc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c(C)c2c1 ZINC000160858338 546062361 /nfs/dbraw/zinc/06/23/61/546062361.db2.gz KGCJXXFFGCNHAC-RYUDHWBXSA-N 1 0 318.442 3.218 20 70 DGIDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)oc2c1c(C)ccc2C ZINC000160860980 546063068 /nfs/dbraw/zinc/06/30/68/546063068.db2.gz CPSSSTABLLGCPV-UONOGXRCSA-N 1 0 300.402 3.358 20 70 DGIDRO CCCCCOc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160970195 546063342 /nfs/dbraw/zinc/06/33/42/546063342.db2.gz PDUWVRGFIQKMSU-JKSUJKDBSA-N 1 0 304.434 3.255 20 70 DGIDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000161202923 546066223 /nfs/dbraw/zinc/06/62/23/546066223.db2.gz DMBYVUIILHOYIG-SNVBAGLBSA-N 1 0 306.406 3.240 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000161400382 546068067 /nfs/dbraw/zinc/06/80/67/546068067.db2.gz LYOFDXHXQAGKKF-HOTGVXAUSA-N 1 0 304.409 3.024 20 70 DGIDRO COc1cc(F)c([C@@H](C)NCc2ccc(C)nc2)cc1OC ZINC000161320386 546068076 /nfs/dbraw/zinc/06/80/76/546068076.db2.gz KLJBXGJVYQOPKZ-GFCCVEGCSA-N 1 0 304.365 3.397 20 70 DGIDRO Cc1cccc(C2(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CCCC2)c1 ZINC000161471633 546069404 /nfs/dbraw/zinc/06/94/04/546069404.db2.gz IWROPMVJQUQGLI-IRXDYDNUSA-N 1 0 300.446 3.193 20 70 DGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000216645113 546262507 /nfs/dbraw/zinc/26/25/07/546262507.db2.gz DEAHIAVWQSUBCN-OAHLLOKOSA-N 1 0 322.408 3.332 20 70 DGIDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2cc3ccccc3o2)C1 ZINC000216695946 546262657 /nfs/dbraw/zinc/26/26/57/546262657.db2.gz GHBWUIHQWAKJPH-RDJZCZTQSA-N 1 0 316.445 3.440 20 70 DGIDRO Cc1nc2ccccn2c1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000159668233 282090792 /nfs/dbraw/zinc/09/07/92/282090792.db2.gz CVFPSZTXFJUARR-QGZVFWFLSA-N 1 0 312.461 3.093 20 70 DGIDRO Cc1ncc([C@@H](C)[NH2+]C[C@H](C)N2CCc3ccccc3C2)c(C)n1 ZINC000159805405 282164600 /nfs/dbraw/zinc/16/46/00/282164600.db2.gz QYDYHAIRVUPTJB-LSDHHAIUSA-N 1 0 324.472 3.191 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000159552405 186126901 /nfs/dbraw/zinc/12/69/01/186126901.db2.gz MEAPGHDGGSNAEQ-AWEZNQCLSA-N 1 0 315.417 3.231 20 70 DGIDRO Cc1ccc(-c2ocnc2C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159586192 186128838 /nfs/dbraw/zinc/12/88/38/186128838.db2.gz XVFOUTBUKAMSJK-UHFFFAOYSA-N 1 0 313.401 3.041 20 70 DGIDRO O=C(NCC[NH2+]C1CCCCCC1)c1c(F)cc(F)cc1F ZINC000159672501 186134773 /nfs/dbraw/zinc/13/47/73/186134773.db2.gz KLYKIIOIXQKYOD-UHFFFAOYSA-N 1 0 314.351 3.146 20 70 DGIDRO CC(C)COc1ccc([C@H](C)[NH2+]CCc2cnn(C)c2)cc1 ZINC000159758525 186139718 /nfs/dbraw/zinc/13/97/18/186139718.db2.gz PKCOKRWGOVQZSY-HNNXBMFYSA-N 1 0 301.434 3.348 20 70 DGIDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)o1 ZINC000218627250 201541424 /nfs/dbraw/zinc/54/14/24/201541424.db2.gz SJUYPQQOTKYRNA-UHFFFAOYSA-N 1 0 306.793 3.137 20 70 DGIDRO CCN(C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1nc(C)cs1 ZINC000160174229 284234592 /nfs/dbraw/zinc/23/45/92/284234592.db2.gz OSKWDGCYJZHQHT-TZMCWYRMSA-N 1 0 303.431 3.141 20 70 DGIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000160284150 197397441 /nfs/dbraw/zinc/39/74/41/197397441.db2.gz HJZHHJRPDMIUTR-LBPRGKRZSA-N 1 0 315.244 3.266 20 70 DGIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nc(C2CC2)ns1 ZINC000160230681 197394145 /nfs/dbraw/zinc/39/41/45/197394145.db2.gz WKQVHUQDKMLQTN-DOMZBBRYSA-N 1 0 314.458 3.348 20 70 DGIDRO CC[C@H](CC(=O)NC[C@@H]1CC[N@H+](CC)C1)c1ccc(OC)cc1 ZINC000160129468 197387913 /nfs/dbraw/zinc/38/79/13/197387913.db2.gz NIVCEVYEZLNZMK-JKSUJKDBSA-N 1 0 318.461 3.037 20 70 DGIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cncc(F)c1 ZINC000160134872 197387656 /nfs/dbraw/zinc/38/76/56/197387656.db2.gz OAUOGGGFRSTPIQ-ZDUSSCGKSA-N 1 0 305.372 3.142 20 70 DGIDRO CN(CCOc1ccc(Cl)cc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160028082 197380721 /nfs/dbraw/zinc/38/07/21/197380721.db2.gz FKRNGVGLLKBBHA-CYBMUJFWSA-N 1 0 303.233 3.041 20 70 DGIDRO CSc1cc(C(=O)NCC(C)(C)[NH3+])c(Cl)cc1Cl ZINC000160008042 197379328 /nfs/dbraw/zinc/37/93/28/197379328.db2.gz AZEIBJXDXVJMMN-UHFFFAOYSA-N 1 0 307.246 3.182 20 70 DGIDRO C[NH+](C)CCCNC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000159915542 197372601 /nfs/dbraw/zinc/37/26/01/197372601.db2.gz RNFIKAFTKFSKDG-UHFFFAOYSA-N 1 0 310.397 3.196 20 70 DGIDRO COc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000159870514 197370364 /nfs/dbraw/zinc/37/03/64/197370364.db2.gz STDZMRIMBSPZGV-OAQYLSRUSA-N 1 0 303.427 3.065 20 70 DGIDRO C[C@H](C[NH2+][C@H](C)c1cncc(F)c1)N1CCc2ccccc2C1 ZINC000159826616 197367288 /nfs/dbraw/zinc/36/72/88/197367288.db2.gz RNRZIINIOHOCLA-HUUCEWRRSA-N 1 0 313.420 3.318 20 70 DGIDRO Cc1ccc(C(C)(C)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159761197 197362166 /nfs/dbraw/zinc/36/21/66/197362166.db2.gz IAOSPAUWQRWDFD-UHFFFAOYSA-N 1 0 314.473 3.263 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000159559034 197361791 /nfs/dbraw/zinc/36/17/91/197361791.db2.gz KOOYFICZHPLLJX-KRWDZBQOSA-N 1 0 303.450 3.121 20 70 DGIDRO CS[C@@H](C)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159469792 197355988 /nfs/dbraw/zinc/35/59/88/197355988.db2.gz UVWFISMWUDZTLB-HNNXBMFYSA-N 1 0 320.502 3.156 20 70 DGIDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1Cl ZINC000159459970 197355131 /nfs/dbraw/zinc/35/51/31/197355131.db2.gz LNNWJEMEZKKCLO-RCBQFDQVSA-N 1 0 307.821 3.396 20 70 DGIDRO CC(C)c1ncc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000159377311 197349094 /nfs/dbraw/zinc/34/90/94/197349094.db2.gz MAEFZVBSSDFISS-UHFFFAOYSA-N 1 0 309.479 3.259 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000159853754 285210947 /nfs/dbraw/zinc/21/09/47/285210947.db2.gz LXFXPEAEERDOHF-GOSISDBHSA-N 1 0 317.477 3.429 20 70 DGIDRO C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000160433068 533225381 /nfs/dbraw/zinc/22/53/81/533225381.db2.gz LXXBMPZJZQQUNL-ZMYBRWDISA-N 1 0 308.425 3.296 20 70 DGIDRO CC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159683441 400731139 /nfs/dbraw/zinc/73/11/39/400731139.db2.gz OEZVETLZKXJLHH-YOEHRIQHSA-N 1 0 300.402 3.092 20 70 DGIDRO CC(C)CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000160801141 400735936 /nfs/dbraw/zinc/73/59/36/400735936.db2.gz ZLBQNAZNVUHOHC-OAHLLOKOSA-N 1 0 307.482 3.223 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)CCc2cccc(Cl)c2)CC1 ZINC000161016368 400737567 /nfs/dbraw/zinc/73/75/67/400737567.db2.gz RACFVFRIXDBEEJ-UHFFFAOYSA-N 1 0 308.853 3.121 20 70 DGIDRO C[C@@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccc(F)cc1 ZINC000159742372 228243455 /nfs/dbraw/zinc/24/34/55/228243455.db2.gz BQRXGTGNJANPES-AWEZNQCLSA-N 1 0 318.436 3.310 20 70 DGIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cc(C(C)(C)C)on2)CC1 ZINC000159954101 228244763 /nfs/dbraw/zinc/24/47/63/228244763.db2.gz ATHQNYPQICXXIY-UHFFFAOYSA-N 1 0 322.453 3.214 20 70 DGIDRO c1coc(CN(CCC[NH+]2CCCCC2)C[C@@H]2CCCO2)c1 ZINC000160685089 228248342 /nfs/dbraw/zinc/24/83/42/228248342.db2.gz BAJSSFYYWHOLOB-SFHVURJKSA-N 1 0 306.450 3.137 20 70 DGIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160693200 228248604 /nfs/dbraw/zinc/24/86/04/228248604.db2.gz SDIVDCVMJDLICC-AAEUAGOBSA-N 1 0 320.742 3.202 20 70 DGIDRO Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161236204 280971124 /nfs/dbraw/zinc/97/11/24/280971124.db2.gz UUUWGMQTDBXNOF-JQHSSLGASA-N 1 0 300.446 3.294 20 70 DGIDRO Cc1ccc(CCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000217225104 432654141 /nfs/dbraw/zinc/65/41/41/432654141.db2.gz WHYXDYDIKHQIMN-KRWDZBQOSA-N 1 0 317.477 3.101 20 70 DGIDRO Brc1cccc([C@H]2CC[N@H+](C[C@@H]3CCCO3)C2)c1 ZINC000217267656 432654634 /nfs/dbraw/zinc/65/46/34/432654634.db2.gz ORWFMBXJHDKMEV-ZFWWWQNUSA-N 1 0 310.235 3.417 20 70 DGIDRO OCC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000159741401 432694126 /nfs/dbraw/zinc/69/41/26/432694126.db2.gz BAMNVNKVZMWNCJ-ZDUSSCGKSA-N 1 0 303.324 3.322 20 70 DGIDRO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c(C)n1C(C)C ZINC000159771891 432696146 /nfs/dbraw/zinc/69/61/46/432696146.db2.gz ZANUKMTUVLNYJL-UHFFFAOYSA-N 1 0 317.477 3.290 20 70 DGIDRO CC(C)c1ncc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000159785243 432696189 /nfs/dbraw/zinc/69/61/89/432696189.db2.gz OUHAJAAXZFQMPY-QWHCGFSZSA-N 1 0 309.479 3.117 20 70 DGIDRO CCC[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000159798881 432697981 /nfs/dbraw/zinc/69/79/81/432697981.db2.gz INDHNDHVDXPBJM-OAHLLOKOSA-N 1 0 324.490 3.139 20 70 DGIDRO CC(=O)c1c(C)cc(C)c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1C ZINC000159873860 432699294 /nfs/dbraw/zinc/69/92/94/432699294.db2.gz DRGSRRMIIWGNLL-WMZOPIPTSA-N 1 0 303.446 3.407 20 70 DGIDRO CCCc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159849419 432699711 /nfs/dbraw/zinc/69/97/11/432699711.db2.gz KYWXCENJCHJPGP-UHFFFAOYSA-N 1 0 300.446 3.243 20 70 DGIDRO CSCCCCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000159935710 432700913 /nfs/dbraw/zinc/70/09/13/432700913.db2.gz DZKOPIGNRCCCTK-OAHLLOKOSA-N 1 0 300.512 3.291 20 70 DGIDRO CCC[C@@H]([NH2+][C@@H](C)C(C)C)C(=O)N1CCc2sccc2C1 ZINC000160164777 432707941 /nfs/dbraw/zinc/70/79/41/432707941.db2.gz RSURLPQODFSZGU-DZGCQCFKSA-N 1 0 308.491 3.436 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000160166175 432708456 /nfs/dbraw/zinc/70/84/56/432708456.db2.gz JJSASIYBMLXTIC-HOTGVXAUSA-N 1 0 311.491 3.164 20 70 DGIDRO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000160161813 432709007 /nfs/dbraw/zinc/70/90/07/432709007.db2.gz JQCLHKKNJZHXBL-GOSISDBHSA-N 1 0 309.413 3.087 20 70 DGIDRO CC1(C)C[C@H]([NH2+]Cc2cc(O)ccc2Br)CCO1 ZINC000160549290 432726400 /nfs/dbraw/zinc/72/64/00/432726400.db2.gz HGVJCGZHHFFQOR-LLVKDONJSA-N 1 0 314.223 3.202 20 70 DGIDRO CC(C)CO[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160170900 432710815 /nfs/dbraw/zinc/71/08/15/432710815.db2.gz VKCPSTZWNFMCPS-KRWDZBQOSA-N 1 0 324.509 3.018 20 70 DGIDRO O=C(NCC[NH+]1CCCCCC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000160221048 432712303 /nfs/dbraw/zinc/71/23/03/432712303.db2.gz UQLOKILOWNWIIS-HOCLYGCPSA-N 1 0 322.399 3.061 20 70 DGIDRO Fc1ccccc1-c1cnc(CN2CC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000160335727 432715031 /nfs/dbraw/zinc/71/50/31/432715031.db2.gz PDTPSZVCWNSLDS-CQSZACIVSA-N 1 0 315.392 3.151 20 70 DGIDRO CCCCN(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160342619 432716149 /nfs/dbraw/zinc/71/61/49/432716149.db2.gz MUHORULTGZTZNP-RDJZCZTQSA-N 1 0 303.450 3.091 20 70 DGIDRO Cc1nn(C)cc1CN(C)Cc1ccccc1Br ZINC000160378752 432716798 /nfs/dbraw/zinc/71/67/98/432716798.db2.gz SWOPXYRRSBOIHH-UHFFFAOYSA-N 1 0 308.223 3.123 20 70 DGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000160543958 432726587 /nfs/dbraw/zinc/72/65/87/432726587.db2.gz CIRVDERNFCOOPC-KGLIPLIRSA-N 1 0 322.449 3.399 20 70 DGIDRO CC(C)(C)c1nccc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160441368 432721026 /nfs/dbraw/zinc/72/10/26/432721026.db2.gz QGXHQQVYXCXQLZ-OAHLLOKOSA-N 1 0 302.466 3.229 20 70 DGIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cccs1 ZINC000160454279 432721407 /nfs/dbraw/zinc/72/14/07/432721407.db2.gz VGYRTOMKROVOBQ-HNNXBMFYSA-N 1 0 316.470 3.431 20 70 DGIDRO COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000160477097 432723099 /nfs/dbraw/zinc/72/30/99/432723099.db2.gz XEMBHECOOPPTHA-FMKPAKJESA-N 1 0 307.434 3.214 20 70 DGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OC(C)C)cc1)CC2 ZINC000160491587 432723441 /nfs/dbraw/zinc/72/34/41/432723441.db2.gz GQJXJOTVXKUANO-CJNGLKHVSA-N 1 0 314.433 3.039 20 70 DGIDRO COCCOc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000160470256 432723647 /nfs/dbraw/zinc/72/36/47/432723647.db2.gz AEXRISUARVNCDI-UHFFFAOYSA-N 1 0 303.377 3.483 20 70 DGIDRO CCCOc1ccc(CCC(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160500582 432724164 /nfs/dbraw/zinc/72/41/64/432724164.db2.gz ZNHRFAYYRCJJFQ-UHFFFAOYSA-N 1 0 306.450 3.042 20 70 DGIDRO Cc1cc(N2CCN([C@@H](C)c3ccsc3)CC2)nc(C)n1 ZINC000160512909 432725554 /nfs/dbraw/zinc/72/55/54/432725554.db2.gz GBVGRWXZCQSEPZ-ZDUSSCGKSA-N 1 0 302.447 3.038 20 70 DGIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159363287 432680760 /nfs/dbraw/zinc/68/07/60/432680760.db2.gz DQZXHLSOFVLCGS-RYUDHWBXSA-N 1 0 305.340 3.356 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000159388136 432681112 /nfs/dbraw/zinc/68/11/12/432681112.db2.gz KXTBZYPBZSCUQE-JKSUJKDBSA-N 1 0 305.466 3.160 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000159387740 432682406 /nfs/dbraw/zinc/68/24/06/432682406.db2.gz KXTBZYPBZSCUQE-CVEARBPZSA-N 1 0 305.466 3.160 20 70 DGIDRO CC[C@@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccc(OC)cc1 ZINC000159582836 432688834 /nfs/dbraw/zinc/68/88/34/432688834.db2.gz CIADHMHSNYEOOU-KSSFIOAISA-N 1 0 318.461 3.035 20 70 DGIDRO CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000159572260 432689282 /nfs/dbraw/zinc/68/92/82/432689282.db2.gz YJHDKMJFGFRAIR-QFBILLFUSA-N 1 0 315.461 3.122 20 70 DGIDRO CN(Cc1csc(Nc2ccccc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159651962 432689676 /nfs/dbraw/zinc/68/96/76/432689676.db2.gz FWXAMLUTGSCANI-BBRMVZONSA-N 1 0 317.458 3.480 20 70 DGIDRO Fc1cc(Cl)cc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000160891869 432746862 /nfs/dbraw/zinc/74/68/62/432746862.db2.gz APKYCWZOJYLWSA-SNVBAGLBSA-N 1 0 324.749 3.453 20 70 DGIDRO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000160885559 432747140 /nfs/dbraw/zinc/74/71/40/432747140.db2.gz FWVSOJKNDNVPFW-SJLPKXTDSA-N 1 0 311.429 3.347 20 70 DGIDRO CC[N@@H+](Cc1scnc1C)C[C@H]1COc2ccccc2O1 ZINC000160955583 432750967 /nfs/dbraw/zinc/75/09/67/432750967.db2.gz DXDKWLKAEBTGJP-ZDUSSCGKSA-N 1 0 304.415 3.113 20 70 DGIDRO Cc1nc(Cl)ccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000160954916 432751477 /nfs/dbraw/zinc/75/14/77/432751477.db2.gz PYRJJUDAKDEODA-UHFFFAOYSA-N 1 0 321.852 3.180 20 70 DGIDRO CC(C)[NH+](CCSCC(=O)N(C)Cc1ccco1)C(C)C ZINC000160952258 432751722 /nfs/dbraw/zinc/75/17/22/432751722.db2.gz FUVZDPGNEKEXDI-UHFFFAOYSA-N 1 0 312.479 3.090 20 70 DGIDRO COc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161110609 432759723 /nfs/dbraw/zinc/75/97/23/432759723.db2.gz CKMVWEXEFRIQQR-KKUMJFAQSA-N 1 0 306.450 3.227 20 70 DGIDRO O=C(Nc1ccc(COCc2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000161090540 432760410 /nfs/dbraw/zinc/76/04/10/432760410.db2.gz NJIJGYYORKXDHD-GOSISDBHSA-N 1 0 324.424 3.342 20 70 DGIDRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)CCC2 ZINC000161495621 432782474 /nfs/dbraw/zinc/78/24/74/432782474.db2.gz QEZAQUMNIBJMJI-GJZGRUSLSA-N 1 0 316.470 3.449 20 70 DGIDRO C[C@H](CC1CCOCC1)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000161117943 432761399 /nfs/dbraw/zinc/76/13/99/432761399.db2.gz UGQIYCIVQAGNRI-GFCCVEGCSA-N 1 0 310.825 3.073 20 70 DGIDRO CCN(Cc1ccccn1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161132449 432761497 /nfs/dbraw/zinc/76/14/97/432761497.db2.gz JZUZWPCACCBTIJ-CQSZACIVSA-N 1 0 315.392 3.378 20 70 DGIDRO CCN(Cc1ccccn1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000161121526 432761818 /nfs/dbraw/zinc/76/18/18/432761818.db2.gz LFXBTVNRCILJDX-OAHLLOKOSA-N 1 0 303.450 3.083 20 70 DGIDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccs1 ZINC000161144340 432762218 /nfs/dbraw/zinc/76/22/18/432762218.db2.gz FQBMBAVLTLXFJU-CYBMUJFWSA-N 1 0 304.463 3.349 20 70 DGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000161165518 432762436 /nfs/dbraw/zinc/76/24/36/432762436.db2.gz PSWPXJHHUZLFKD-LSDHHAIUSA-N 1 0 306.450 3.229 20 70 DGIDRO C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCOC1 ZINC000161156384 432762675 /nfs/dbraw/zinc/76/26/75/432762675.db2.gz YCHCAIFRAHTJIL-YPMHNXCESA-N 1 0 303.324 3.142 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000161164326 432762870 /nfs/dbraw/zinc/76/28/70/432762870.db2.gz RGHAHRKZMWNLEN-UHFFFAOYSA-N 1 0 323.462 3.002 20 70 DGIDRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](CO)c1ccccc1)CCC2 ZINC000161495818 432782633 /nfs/dbraw/zinc/78/26/33/432782633.db2.gz QEZAQUMNIBJMJI-CABCVRRESA-N 1 0 316.470 3.449 20 70 DGIDRO C[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161293528 432771754 /nfs/dbraw/zinc/77/17/54/432771754.db2.gz LGRMCAJKLYTVHN-ZDUSSCGKSA-N 1 0 320.864 3.262 20 70 DGIDRO CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161331428 432772808 /nfs/dbraw/zinc/77/28/08/432772808.db2.gz XWFWXNSROMXBDI-HNNXBMFYSA-N 1 0 314.351 3.054 20 70 DGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161373441 432776613 /nfs/dbraw/zinc/77/66/13/432776613.db2.gz UZSLOTWLSAVUTF-AWEZNQCLSA-N 1 0 306.425 3.094 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000161431634 432778038 /nfs/dbraw/zinc/77/80/38/432778038.db2.gz KWWAPSZSRSPTGP-ZNMIVQPWSA-N 1 0 306.475 3.151 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCc2c(C)[nH]c3ccccc32)CC1 ZINC000161407180 432778076 /nfs/dbraw/zinc/77/80/76/432778076.db2.gz QEDMKADHIDCTDB-UHFFFAOYSA-N 1 0 313.445 3.056 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)CCCOc1ccc(C)c(C)c1 ZINC000160561688 432729628 /nfs/dbraw/zinc/72/96/28/432729628.db2.gz AJAKKQHMPQTYIB-UHFFFAOYSA-N 1 0 306.450 3.096 20 70 DGIDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(C)(C)O)cc1 ZINC000160622791 432731825 /nfs/dbraw/zinc/73/18/25/432731825.db2.gz YLULXZJCHVQNOM-SFHVURJKSA-N 1 0 317.404 3.479 20 70 DGIDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000161477033 432781704 /nfs/dbraw/zinc/78/17/04/432781704.db2.gz GCQINBYRYCEVBO-OLZOCXBDSA-N 1 0 303.475 3.472 20 70 DGIDRO Fc1cc(Cl)ccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000160668757 432733904 /nfs/dbraw/zinc/73/39/04/432733904.db2.gz YMYXYEXSKIYVNY-CQSZACIVSA-N 1 0 301.789 3.154 20 70 DGIDRO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)c1cccc(C(F)(F)F)c1 ZINC000160683419 432736382 /nfs/dbraw/zinc/73/63/82/432736382.db2.gz OSNXOWMXNHPFRK-ZIAGYGMSSA-N 1 0 314.351 3.019 20 70 DGIDRO CCCC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160782750 432740770 /nfs/dbraw/zinc/74/07/70/432740770.db2.gz SEWRAWGLQMNPJS-KRWDZBQOSA-N 1 0 309.475 3.093 20 70 DGIDRO CC(C)C[C@H](C)Oc1cc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)ccn1 ZINC000160800292 432742370 /nfs/dbraw/zinc/74/23/70/432742370.db2.gz SWKFMPONZGYMOP-RYRKJORJSA-N 1 0 319.493 3.467 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)Nc3cccnc3)CC2)CC1 ZINC000160821323 432743779 /nfs/dbraw/zinc/74/37/79/432743779.db2.gz RIDXSDXNBMUIJQ-UHFFFAOYSA-N 1 0 316.449 3.246 20 70 DGIDRO CC[C@@]1(C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000160843380 432746093 /nfs/dbraw/zinc/74/60/93/432746093.db2.gz PMWJSKHOIQWWCH-HKUYNNGSSA-N 1 0 300.446 3.203 20 70 DGIDRO CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1cccc(Cl)c1F ZINC000161496178 432782989 /nfs/dbraw/zinc/78/29/89/432782989.db2.gz KBENIMFISPCXAC-CYBMUJFWSA-N 1 0 300.805 3.292 20 70 DGIDRO CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000159656036 292797623 /nfs/dbraw/zinc/79/76/23/292797623.db2.gz XMSYWOIISAYDAS-HUUCEWRRSA-N 1 0 314.470 3.037 20 70 DGIDRO CCc1oc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1C ZINC000159714263 292798877 /nfs/dbraw/zinc/79/88/77/292798877.db2.gz MVWSQLVEDKPUIP-UHFFFAOYSA-N 1 0 300.402 3.142 20 70 DGIDRO C[NH+](C)CCN(Cc1cccs1)c1nc(C(C)(C)C)ns1 ZINC000159964662 292804382 /nfs/dbraw/zinc/80/43/82/292804382.db2.gz FVSLOIDAPDVPBX-UHFFFAOYSA-N 1 0 324.519 3.465 20 70 DGIDRO COc1ccc([C@H](C)[NH2+]CCCNC(=O)C(C)C)cc1Cl ZINC000159980410 292804910 /nfs/dbraw/zinc/80/49/10/292804910.db2.gz PUTJLGSPZWCFSG-LBPRGKRZSA-N 1 0 312.841 3.162 20 70 DGIDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccc3c(c1)OCO3)CC2 ZINC000161121566 292828896 /nfs/dbraw/zinc/82/88/96/292828896.db2.gz XREUVTVKTHPOOW-QGZVFWFLSA-N 1 0 311.381 3.244 20 70 DGIDRO C[NH+](C)CCN(Cc1ccco1)C(=O)C1CCC(C)(C)CC1 ZINC000161147515 292829470 /nfs/dbraw/zinc/82/94/70/292829470.db2.gz NBOVCRPBQYQMLM-UHFFFAOYSA-N 1 0 306.450 3.386 20 70 DGIDRO [NH3+]C1(CNC(=O)c2cnc(-c3ccsc3)s2)CCCCC1 ZINC000159723641 534547528 /nfs/dbraw/zinc/54/75/28/534547528.db2.gz XKVDQBHHTMKPNU-UHFFFAOYSA-N 1 0 321.471 3.263 20 70 DGIDRO CCSc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160406548 521781551 /nfs/dbraw/zinc/78/15/51/521781551.db2.gz FQIRPANBIZHFTO-GXTWGEPZSA-N 1 0 316.474 3.364 20 70 DGIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(N2CCCC2=O)c1 ZINC000160557951 525414457 /nfs/dbraw/zinc/41/44/57/525414457.db2.gz MYDODCXYMXPTDQ-LESCRADOSA-N 1 0 316.445 3.015 20 70 DGIDRO CS[C@H](C)CC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000160369358 525864365 /nfs/dbraw/zinc/86/43/65/525864365.db2.gz XTDMLYDTSMLEHD-CYBMUJFWSA-N 1 0 324.465 3.048 20 70 DGIDRO O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159748242 526507801 /nfs/dbraw/zinc/50/78/01/526507801.db2.gz ZNHUSNUDCZFCKS-ZWKOTPCHSA-N 1 0 304.478 3.193 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)CSc2ccccc2)CC1 ZINC000161109656 528286860 /nfs/dbraw/zinc/28/68/60/528286860.db2.gz XOPYLOIRMRWQOQ-OAHLLOKOSA-N 1 0 320.502 3.263 20 70 DGIDRO CCC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000160803393 528476404 /nfs/dbraw/zinc/47/64/04/528476404.db2.gz WFCVSTBSMFHNHW-HZSPNIEDSA-N 1 0 302.418 3.479 20 70 DGIDRO CCC(CC)n1nccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000160712675 528913279 /nfs/dbraw/zinc/91/32/79/528913279.db2.gz HCBYTTRDTGCSSQ-UHFFFAOYSA-N 1 0 308.470 3.093 20 70 DGIDRO CCS[C@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159421837 529228519 /nfs/dbraw/zinc/22/85/19/529228519.db2.gz GKFFAVNHWIRYDL-CABCVRRESA-N 1 0 315.527 3.032 20 70 DGIDRO Cc1nccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1Cl ZINC000159874359 546057110 /nfs/dbraw/zinc/05/71/10/546057110.db2.gz HCIQDJWVALRPTP-UHFFFAOYSA-N 1 0 324.856 3.474 20 70 DGIDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cccc(F)c1 ZINC000160150374 546057944 /nfs/dbraw/zinc/05/79/44/546057944.db2.gz RPLTZMAJQZRLQX-SUMWQHHRSA-N 1 0 304.409 3.410 20 70 DGIDRO CCOc1c(Cl)cc(C[NH2+]Cc2ccnn2CC)cc1OC ZINC000160048415 546058256 /nfs/dbraw/zinc/05/82/56/546058256.db2.gz UZHCXZJRUVDDCL-UHFFFAOYSA-N 1 0 323.824 3.254 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1(c2cccs2)CCCCC1 ZINC000160495694 546061172 /nfs/dbraw/zinc/06/11/72/546061172.db2.gz ZXFBQFYMHNPMBZ-UONOGXRCSA-N 1 0 306.475 3.194 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000160833053 546062691 /nfs/dbraw/zinc/06/26/91/546062691.db2.gz OMMQARHUBMYSBX-CABCVRRESA-N 1 0 318.486 3.478 20 70 DGIDRO C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)Cc1cccs1 ZINC000161097290 546064713 /nfs/dbraw/zinc/06/47/13/546064713.db2.gz PRMDVFSSPYRXIK-NHYWBVRUSA-N 1 0 322.861 3.396 20 70 DGIDRO CCCN(C(=O)c1cc2ccc(F)cc2s1)[C@H]1CC[NH2+]C1 ZINC000161202658 546065510 /nfs/dbraw/zinc/06/55/10/546065510.db2.gz YOYSETNZUYIRLY-ZDUSSCGKSA-N 1 0 306.406 3.255 20 70 DGIDRO COc1ccc(CCCCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161277716 546067491 /nfs/dbraw/zinc/06/74/91/546067491.db2.gz YUILIYMGALFGRJ-IRXDYDNUSA-N 1 0 318.461 3.184 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 ZINC000161384855 546068313 /nfs/dbraw/zinc/06/83/13/546068313.db2.gz DPZWLCHEJMHSAI-MSOLQXFVSA-N 1 0 324.424 3.265 20 70 DGIDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000216641548 575273461 /nfs/dbraw/zinc/27/34/61/575273461.db2.gz UYVXXNVWCMTTCB-WMLDXEAASA-N 1 0 310.869 3.347 20 70 DGIDRO O=C(OC[C@H]1CCCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000216644311 626996462 /nfs/dbraw/zinc/99/64/62/626996462.db2.gz SJIXDRIQFNEPSG-QZTJIDSGSA-N 1 0 317.429 3.011 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)CC2 ZINC000160384559 282125354 /nfs/dbraw/zinc/12/53/54/282125354.db2.gz QTIXETSGPBSYCF-JOYOIKCWSA-N 1 0 308.788 3.045 20 70 DGIDRO CS[C@H]1CCC[C@@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000159573104 186128114 /nfs/dbraw/zinc/12/81/14/186128114.db2.gz TVPHYJMYTSMDGJ-DRPJVOAASA-N 1 0 306.475 3.113 20 70 DGIDRO C[C@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(F)cc1Cl ZINC000159626238 186131441 /nfs/dbraw/zinc/13/14/41/186131441.db2.gz IYTQYNKZFOHXFJ-WIWFPBMBSA-N 1 0 310.800 3.030 20 70 DGIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)c1ccccc1C ZINC000159695320 186135696 /nfs/dbraw/zinc/13/56/96/186135696.db2.gz MHKVRKHBYUICLG-CVEARBPZSA-N 1 0 308.491 3.279 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCSc2ccc(F)cc2)CC1 ZINC000161248783 197478243 /nfs/dbraw/zinc/47/82/43/197478243.db2.gz CAKYJUGRYVCYIQ-UHFFFAOYSA-N 1 0 324.465 3.345 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCO[C@H](C)c2ccccc2)CC1 ZINC000161236070 197477649 /nfs/dbraw/zinc/47/76/49/197477649.db2.gz WZWGHDXKFZEKKE-VNCLNFNDSA-N 1 0 318.461 3.191 20 70 DGIDRO Cc1cc(NC(=O)[C@@H](C)SCC[NH+](C(C)C)C(C)C)on1 ZINC000161048916 197460277 /nfs/dbraw/zinc/46/02/77/197460277.db2.gz MWGZNPITUVJHDY-CYBMUJFWSA-N 1 0 313.467 3.162 20 70 DGIDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])sc1-c1ccc(F)cc1 ZINC000160323654 197401124 /nfs/dbraw/zinc/40/11/24/197401124.db2.gz MQSCAVWRSYGXII-CQSZACIVSA-N 1 0 318.417 3.426 20 70 DGIDRO Brc1ccc(C[NH2+]C[C@H]2CCOC2)c2ncccc12 ZINC000160315225 197399865 /nfs/dbraw/zinc/39/98/65/197399865.db2.gz OYNDMVWEKSZTNG-LLVKDONJSA-N 1 0 321.218 3.123 20 70 DGIDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc2c(c1)OCO2 ZINC000160114906 197387129 /nfs/dbraw/zinc/38/71/29/197387129.db2.gz FFPZPYKAQUQVBE-BDJLRTHQSA-N 1 0 305.399 3.035 20 70 DGIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000160104035 197386704 /nfs/dbraw/zinc/38/67/04/197386704.db2.gz GSKXFOUVJZZNKT-UYAOXDASSA-N 1 0 308.425 3.267 20 70 DGIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc([S@](C)=O)cc1 ZINC000160036898 197381210 /nfs/dbraw/zinc/38/12/10/197381210.db2.gz OHPZMLYWNDMUJE-PTPDTQQLSA-N 1 0 323.483 3.044 20 70 DGIDRO CCC[N@H+](C)C[C@@H]1CCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159986439 197378172 /nfs/dbraw/zinc/37/81/72/197378172.db2.gz UXPXNQSHLFABRA-KRWDZBQOSA-N 1 0 302.462 3.232 20 70 DGIDRO C[C@H](C[NH2+][C@H](C)c1cncc(F)c1)N1CCc2sccc2C1 ZINC000159872077 197370055 /nfs/dbraw/zinc/37/00/55/197370055.db2.gz PAQWXWRKKUFIIX-CHWSQXEVSA-N 1 0 319.449 3.380 20 70 DGIDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)nc2)cc1 ZINC000159857895 197368796 /nfs/dbraw/zinc/36/87/96/197368796.db2.gz ACTYUHPVCCQEHT-UHFFFAOYSA-N 1 0 311.429 3.322 20 70 DGIDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000159777137 197363467 /nfs/dbraw/zinc/36/34/67/197363467.db2.gz QJEMDSUHTYKMAL-JTQLQIEISA-N 1 0 313.323 3.478 20 70 DGIDRO C[C@H](CCn1cccn1)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000159457610 197355485 /nfs/dbraw/zinc/35/54/85/197355485.db2.gz PVYQARPLAHFGBB-MRXNPFEDSA-N 1 0 316.449 3.104 20 70 DGIDRO C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1F ZINC000159443186 197354296 /nfs/dbraw/zinc/35/42/96/197354296.db2.gz INKHMPDDBPGGSS-CFVMTHIKSA-N 1 0 322.399 3.154 20 70 DGIDRO O[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000160542872 285309870 /nfs/dbraw/zinc/30/98/70/285309870.db2.gz UFCAZULPSUGDCD-RDTXWAMCSA-N 1 0 322.880 3.450 20 70 DGIDRO COc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000216741710 165376966 /nfs/dbraw/zinc/37/69/66/165376966.db2.gz AOWGKSCXNSPOII-GOSISDBHSA-N 1 0 314.404 3.323 20 70 DGIDRO [NH3+][C@@H]1CCN(C(=O)CC2(CCc3ccccc3)CCCC2)C1 ZINC000160291365 228246140 /nfs/dbraw/zinc/24/61/40/228246140.db2.gz IHVXTSIMZCZHAK-QGZVFWFLSA-N 1 0 300.446 3.129 20 70 DGIDRO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000161181273 278488999 /nfs/dbraw/zinc/48/89/99/278488999.db2.gz WVJGAVJTSKKTCE-UNEWFSDZSA-N 1 0 306.425 3.371 20 70 DGIDRO CC[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(C)cc1 ZINC000160200982 280135686 /nfs/dbraw/zinc/13/56/86/280135686.db2.gz YTGBQCJIHQVHAG-RYQLBKOJSA-N 1 0 300.446 3.232 20 70 DGIDRO CC(C)[C@H](CO)[N@H+](Cc1cnc2ccccn12)Cc1ccccc1 ZINC000160468190 280261278 /nfs/dbraw/zinc/26/12/78/280261278.db2.gz ZFJVXYJNIFGJOD-IBGZPJMESA-N 1 0 323.440 3.353 20 70 DGIDRO Cc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000218095159 432658142 /nfs/dbraw/zinc/65/81/42/432658142.db2.gz HYQVBHUYGMMPRB-HOTGVXAUSA-N 1 0 323.278 3.474 20 70 DGIDRO C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218250582 432659176 /nfs/dbraw/zinc/65/91/76/432659176.db2.gz PAXHXHWUIKPUFO-NEPJUHHUSA-N 1 0 311.451 3.193 20 70 DGIDRO O=C(NCC1(Sc2ccccc2)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000159674632 432692618 /nfs/dbraw/zinc/69/26/18/432692618.db2.gz VNLJFQVGLDKHCN-HNNXBMFYSA-N 1 0 318.486 3.207 20 70 DGIDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000159754289 432695109 /nfs/dbraw/zinc/69/51/09/432695109.db2.gz MVEVSDBDYHCSBV-QAPCUYQASA-N 1 0 302.462 3.422 20 70 DGIDRO COc1ccc(C[N@H+](C)Cc2cc3c(c(OC)c2)OCO3)cc1 ZINC000159847850 432697370 /nfs/dbraw/zinc/69/73/70/432697370.db2.gz OMDQBNLUOZITFR-UHFFFAOYSA-N 1 0 315.369 3.065 20 70 DGIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000159837114 432697716 /nfs/dbraw/zinc/69/77/16/432697716.db2.gz NORSYTQNPCNXDQ-CZUORRHYSA-N 1 0 324.852 3.017 20 70 DGIDRO Cc1ccc(C(=O)CCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000159823364 432698277 /nfs/dbraw/zinc/69/82/77/432698277.db2.gz ULMPVWSOYMNHCR-GOSISDBHSA-N 1 0 314.473 3.376 20 70 DGIDRO C[C@@H]1C[C@@H](NC(=O)N(C)CC2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000159914936 432701933 /nfs/dbraw/zinc/70/19/33/432701933.db2.gz BKKGCLQSNDLCSW-CRAIPNDOSA-N 1 0 315.461 3.091 20 70 DGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000160110747 432707553 /nfs/dbraw/zinc/70/75/53/432707553.db2.gz BQHVHSXCRWUZLM-CVEARBPZSA-N 1 0 317.477 3.194 20 70 DGIDRO COc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1Cl ZINC000160224893 432711383 /nfs/dbraw/zinc/71/13/83/432711383.db2.gz HFXQKDRTFMGVIF-JQWIXIFHSA-N 1 0 303.855 3.113 20 70 DGIDRO CC[C@]1(C)C[C@H]1C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000160265966 432714176 /nfs/dbraw/zinc/71/41/76/432714176.db2.gz FXWGUQXCSAJAHQ-RLFYNMQTSA-N 1 0 315.392 3.201 20 70 DGIDRO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160379184 432716845 /nfs/dbraw/zinc/71/68/45/432716845.db2.gz AWOXEMVXNFCFGH-MAUKXSAKSA-N 1 0 324.424 3.071 20 70 DGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1ccc(Cl)s1 ZINC000160381355 432717523 /nfs/dbraw/zinc/71/75/23/432717523.db2.gz FGWSANFURVSTDR-NSHDSACASA-N 1 0 302.871 3.181 20 70 DGIDRO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160379279 432717688 /nfs/dbraw/zinc/71/76/88/432717688.db2.gz AWOXEMVXNFCFGH-CRAIPNDOSA-N 1 0 324.424 3.071 20 70 DGIDRO COc1ccccc1CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000160424653 432719503 /nfs/dbraw/zinc/71/95/03/432719503.db2.gz WRIHAYBYXFFWDB-OAQYLSRUSA-N 1 0 303.427 3.065 20 70 DGIDRO CCN(CC1CC1)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160404750 432719703 /nfs/dbraw/zinc/71/97/03/432719703.db2.gz XXAUFIUMNAUOLQ-QAPCUYQASA-N 1 0 315.461 3.091 20 70 DGIDRO COc1ccc2nc(C)nc(N[C@H]3CCO[C@H](C4CC4)C3)c2c1 ZINC000160422553 432719876 /nfs/dbraw/zinc/71/98/76/432719876.db2.gz PQFMJXGORNUTLM-GUYCJALGSA-N 1 0 313.401 3.316 20 70 DGIDRO COCC[N@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000160446708 432721438 /nfs/dbraw/zinc/72/14/38/432721438.db2.gz BYARWLPHIYNPLZ-UHFFFAOYSA-N 1 0 315.413 3.352 20 70 DGIDRO COCCOc1ccccc1C[N@H+](C)Cc1cccc(F)c1 ZINC000160467548 432722975 /nfs/dbraw/zinc/72/29/75/432722975.db2.gz YILSPGXAAQIBTL-UHFFFAOYSA-N 1 0 303.377 3.483 20 70 DGIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2coc3cc(C)c(C(C)C)cc23)C1 ZINC000160474896 432723714 /nfs/dbraw/zinc/72/37/14/432723714.db2.gz ZRELQRRJFDDAIT-OAHLLOKOSA-N 1 0 314.429 3.227 20 70 DGIDRO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000160506329 432724511 /nfs/dbraw/zinc/72/45/11/432724511.db2.gz WKXSCYBEZPQEHD-NEPJUHHUSA-N 1 0 303.324 3.099 20 70 DGIDRO C[C@H]1CCC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000160508733 432724967 /nfs/dbraw/zinc/72/49/67/432724967.db2.gz OVVDCPJLHLOBJN-RDJZCZTQSA-N 1 0 309.498 3.329 20 70 DGIDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1CCC(F)(F)CC1 ZINC000159447549 432683455 /nfs/dbraw/zinc/68/34/55/432683455.db2.gz ICJMQVILLKLVRV-MGPQQGTHSA-N 1 0 316.436 3.295 20 70 DGIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)CCCC2 ZINC000159564828 432686916 /nfs/dbraw/zinc/68/69/16/432686916.db2.gz ATXFAFWBVBLYDK-OAHLLOKOSA-N 1 0 300.446 3.229 20 70 DGIDRO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000159567644 432687019 /nfs/dbraw/zinc/68/70/19/432687019.db2.gz XLEPJGNDAUVDDG-NSHDSACASA-N 1 0 316.323 3.017 20 70 DGIDRO Cc1cc2cc(C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)oc2cc1C ZINC000159623691 432690980 /nfs/dbraw/zinc/69/09/80/432690980.db2.gz KCRITACWCYTPNE-UONOGXRCSA-N 1 0 300.402 3.135 20 70 DGIDRO C[C@@H](C[NH2+][C@@H](C)c1cncc(F)c1)N(C)Cc1ccccc1 ZINC000160881626 432747197 /nfs/dbraw/zinc/74/71/97/432747197.db2.gz VTJKOIFPDVZBBQ-GJZGRUSLSA-N 1 0 301.409 3.392 20 70 DGIDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160935461 432751359 /nfs/dbraw/zinc/75/13/59/432751359.db2.gz FSWRCLLHAOIERN-OAHLLOKOSA-N 1 0 309.475 3.456 20 70 DGIDRO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000160938011 432751413 /nfs/dbraw/zinc/75/14/13/432751413.db2.gz YEUSUIRCFCWAGN-QGZVFWFLSA-N 1 0 311.429 3.311 20 70 DGIDRO C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccccc2)CN1Cc1ccccc1 ZINC000160976647 432752706 /nfs/dbraw/zinc/75/27/06/432752706.db2.gz NIOMJDPBSYHAFK-DUXKGJEZSA-N 1 0 324.468 3.363 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)C(C)(C)Cc2ccccc2)CC1 ZINC000161052882 432755980 /nfs/dbraw/zinc/75/59/80/432755980.db2.gz CSXZDDLLGUSSFY-UHFFFAOYSA-N 1 0 302.462 3.103 20 70 DGIDRO COCCC1(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCCC1 ZINC000161033843 432756379 /nfs/dbraw/zinc/75/63/79/432756379.db2.gz OJOVWELBXPMNGE-UHFFFAOYSA-N 1 0 310.482 3.009 20 70 DGIDRO O=C(N[C@@H](Cc1ccccc1)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000161066088 432757243 /nfs/dbraw/zinc/75/72/43/432757243.db2.gz ALNASLNAEITYKJ-HOTGVXAUSA-N 1 0 314.454 3.148 20 70 DGIDRO CCCc1cc(C(=O)N2CCC(C[NH2+]CC)CC2)sc1C ZINC000161064199 432757640 /nfs/dbraw/zinc/75/76/40/432757640.db2.gz JYGKVNJTGPXHBW-UHFFFAOYSA-N 1 0 308.491 3.471 20 70 DGIDRO CCC[N@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161072305 432757878 /nfs/dbraw/zinc/75/78/78/432757878.db2.gz VYKRTYZMXJWSSY-QGZVFWFLSA-N 1 0 309.475 3.011 20 70 DGIDRO COc1ccc(COCCC[NH2+][C@@H](C)c2cncs2)cc1 ZINC000161072133 432757909 /nfs/dbraw/zinc/75/79/09/432757909.db2.gz RTZMCOKQYWHRJI-ZDUSSCGKSA-N 1 0 306.431 3.409 20 70 DGIDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC000161082351 432757989 /nfs/dbraw/zinc/75/79/89/432757989.db2.gz GLBJFCOEVWPOBP-HNNXBMFYSA-N 1 0 311.429 3.005 20 70 DGIDRO CCC[N@H+](Cc1cc(C)c(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000161072426 432758031 /nfs/dbraw/zinc/75/80/31/432758031.db2.gz VYKRTYZMXJWSSY-KRWDZBQOSA-N 1 0 309.475 3.011 20 70 DGIDRO CS(=O)(=O)CCCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000161093779 432760356 /nfs/dbraw/zinc/76/03/56/432760356.db2.gz GBLRGLYMYGZOMO-UHFFFAOYSA-N 1 0 317.454 3.190 20 70 DGIDRO c1ccc(N2CCC([NH2+]CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000161132464 432761217 /nfs/dbraw/zinc/76/12/17/432761217.db2.gz AFDRQFWFMZUNHY-UHFFFAOYSA-N 1 0 324.424 3.216 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(Cl)c(NC(C)=O)c1 ZINC000161196222 432765145 /nfs/dbraw/zinc/76/51/45/432765145.db2.gz BZIVBGCQPZQYTG-UHFFFAOYSA-N 1 0 311.813 3.002 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000161185917 432765207 /nfs/dbraw/zinc/76/52/07/432765207.db2.gz VFIKEBGIPPQYBL-WCQYABFASA-N 1 0 312.866 3.031 20 70 DGIDRO C[C@@H](c1cccnc1)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161188809 432765355 /nfs/dbraw/zinc/76/53/55/432765355.db2.gz NYQZTGPTQSLSRP-HNNXBMFYSA-N 1 0 317.477 3.359 20 70 DGIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000161186996 432765474 /nfs/dbraw/zinc/76/54/74/432765474.db2.gz CULAACILLUVMOE-UHFFFAOYSA-N 1 0 320.452 3.372 20 70 DGIDRO CCN1CCCC[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000161188551 432765813 /nfs/dbraw/zinc/76/58/13/432765813.db2.gz QLCVEIVLGRJFHG-IBGZPJMESA-N 1 0 301.478 3.119 20 70 DGIDRO CC[NH+]1CCC(N(C)C(=O)c2[nH]c3ccc(C)cc3c2C)CC1 ZINC000161234147 432768136 /nfs/dbraw/zinc/76/81/36/432768136.db2.gz JFSACCICVSDWLX-UHFFFAOYSA-N 1 0 313.445 3.341 20 70 DGIDRO CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc(F)cc1 ZINC000161264305 432770354 /nfs/dbraw/zinc/77/03/54/432770354.db2.gz GJCNVSYMMXTNIV-SZMVWBNQSA-N 1 0 318.436 3.262 20 70 DGIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncnc3sccc32)C1 ZINC000161310645 432773313 /nfs/dbraw/zinc/77/33/13/432773313.db2.gz ZOVCILMFJHPGES-CYBMUJFWSA-N 1 0 304.463 3.471 20 70 DGIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cn1 ZINC000161315764 432773420 /nfs/dbraw/zinc/77/34/20/432773420.db2.gz NAUCHKKSRXMERJ-OAHLLOKOSA-N 1 0 309.413 3.368 20 70 DGIDRO Cc1cccc([C@H]2CCCCN2C(=O)C[C@@H]2CCC[NH2+]2)c1C ZINC000161339281 432774810 /nfs/dbraw/zinc/77/48/10/432774810.db2.gz ZKSGBEJDSNJIQJ-FUHWJXTLSA-N 1 0 300.446 3.499 20 70 DGIDRO CN(C(=O)CCCc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161351938 432774963 /nfs/dbraw/zinc/77/49/63/432774963.db2.gz UBZTVBOLNQRYBV-SJPCQFCGSA-N 1 0 320.864 3.404 20 70 DGIDRO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000161425755 432777613 /nfs/dbraw/zinc/77/76/13/432777613.db2.gz OKISFLGWYORYNR-HOCLYGCPSA-N 1 0 315.413 3.131 20 70 DGIDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000161416345 432778578 /nfs/dbraw/zinc/77/85/78/432778578.db2.gz LKYTYNCPWLHUOR-GFCCVEGCSA-N 1 0 315.417 3.004 20 70 DGIDRO C/C=C(/C=C/C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)CC ZINC000161447900 432778952 /nfs/dbraw/zinc/77/89/52/432778952.db2.gz RHTBGYPEXUMOBI-NXFQVUBDSA-N 1 0 316.449 3.391 20 70 DGIDRO CCCCCCOc1ccc(C(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160550705 432727344 /nfs/dbraw/zinc/72/73/44/432727344.db2.gz HLRSPVFYGMRUNA-MRXNPFEDSA-N 1 0 304.434 3.080 20 70 DGIDRO CCSc1ccccc1[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160553187 432727992 /nfs/dbraw/zinc/72/79/92/432727992.db2.gz MONTYADLIRTOKN-JTQLQIEISA-N 1 0 320.380 3.128 20 70 DGIDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000160610285 432732847 /nfs/dbraw/zinc/73/28/47/432732847.db2.gz OTZOCVYIUKVBSG-NXHRZFHOSA-N 1 0 302.462 3.369 20 70 DGIDRO C[NH2+][C@H]1CCN(C(=O)C2(c3cccc(C)c3)CCCCC2)C1 ZINC000160753791 432738304 /nfs/dbraw/zinc/73/83/04/432738304.db2.gz UKQDDNOXXNXDGD-KRWDZBQOSA-N 1 0 300.446 3.017 20 70 DGIDRO CCc1ccc([C@H](C)CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159420366 292792540 /nfs/dbraw/zinc/79/25/40/292792540.db2.gz PYKIHVLYVNUFHF-OLMNPRSZSA-N 1 0 300.446 3.096 20 70 DGIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1(C)C ZINC000159803493 292800918 /nfs/dbraw/zinc/80/09/18/292800918.db2.gz AOVUXYBPAGGGIC-HYVNUMGLSA-N 1 0 305.466 3.371 20 70 DGIDRO COC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161155261 292829301 /nfs/dbraw/zinc/82/93/01/292829301.db2.gz OITYMFXRWLKGRJ-IUODEOHRSA-N 1 0 314.832 3.068 20 70 DGIDRO COC[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161155127 292829429 /nfs/dbraw/zinc/82/94/29/292829429.db2.gz OITYMFXRWLKGRJ-SWLSCSKDSA-N 1 0 314.832 3.068 20 70 DGIDRO Cc1ccc(CCNC(=O)c2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000161283594 292832783 /nfs/dbraw/zinc/83/27/83/292832783.db2.gz HQNZULMKSGKZOS-UHFFFAOYSA-N 1 0 310.441 3.338 20 70 DGIDRO CC(C)[NH2+]CCC(=O)NC(c1cccs1)c1cccs1 ZINC000161299637 292833452 /nfs/dbraw/zinc/83/34/52/292833452.db2.gz GWWCQFJAOPLZNA-UHFFFAOYSA-N 1 0 308.472 3.403 20 70 DGIDRO Cc1cccc2ncnc(N3CCC[C@H]3C[NH+]3CCCCC3)c12 ZINC000160444019 302072760 /nfs/dbraw/zinc/07/27/60/302072760.db2.gz CGXHMBUATUVWBW-INIZCTEOSA-N 1 0 310.445 3.393 20 70 DGIDRO Fc1nc(F)c(F)c(N2CCC[C@@H]2C[NH+]2CCCCC2)c1F ZINC000160457322 303137937 /nfs/dbraw/zinc/13/79/37/303137937.db2.gz UFWWIWGANDAQJH-SNVBAGLBSA-N 1 0 317.330 3.093 20 70 DGIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)CC(C)(C)C)c2c1 ZINC000160846886 534247730 /nfs/dbraw/zinc/24/77/30/534247730.db2.gz KUNBGGASMBAUPL-UHFFFAOYSA-N 1 0 316.401 3.115 20 70 DGIDRO CC[C@H](C)c1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)on1 ZINC000161215544 522031025 /nfs/dbraw/zinc/03/10/25/522031025.db2.gz LEPKSSPVQGSCRW-KBPBESRZSA-N 1 0 307.438 3.040 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)on1 ZINC000160653920 522419805 /nfs/dbraw/zinc/41/98/05/522419805.db2.gz FTUPSPMAYDIQSK-OAHLLOKOSA-N 1 0 321.465 3.430 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1cc(F)ccc1SCC(F)F ZINC000159593203 527166860 /nfs/dbraw/zinc/16/68/60/527166860.db2.gz BZHWOAPZRUTDKC-SNVBAGLBSA-N 1 0 318.364 3.264 20 70 DGIDRO CC(C)(Cc1cccc(Cl)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159926844 527234415 /nfs/dbraw/zinc/23/44/15/527234415.db2.gz PSBARPMRKXULPF-IYBDPMFKSA-N 1 0 320.864 3.262 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000159851915 529030466 /nfs/dbraw/zinc/03/04/66/529030466.db2.gz NVYTZKXCJUYIIP-MSOLQXFVSA-N 1 0 315.461 3.060 20 70 DGIDRO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159657151 546055173 /nfs/dbraw/zinc/05/51/73/546055173.db2.gz YUKGYZKJOZZIAR-YOEHRIQHSA-N 1 0 300.402 3.092 20 70 DGIDRO [NH3+]C1(CNC(=O)C2(c3ccc(F)cc3)CCC2)CCCCC1 ZINC000159698624 546055321 /nfs/dbraw/zinc/05/53/21/546055321.db2.gz MDGPUWFUXHYIFE-UHFFFAOYSA-N 1 0 304.409 3.025 20 70 DGIDRO CCCC(=O)Nc1cccc(CNC2CC[NH+](CCC)CC2)c1 ZINC000159868000 546055902 /nfs/dbraw/zinc/05/59/02/546055902.db2.gz ZXHNYTSUQRCRHS-UHFFFAOYSA-N 1 0 317.477 3.389 20 70 DGIDRO Cc1nccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1Cl ZINC000159916496 546057270 /nfs/dbraw/zinc/05/72/70/546057270.db2.gz CUXWSFGONCDNTR-CYBMUJFWSA-N 1 0 324.856 3.382 20 70 DGIDRO O=C1[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CCN1C1CCCCC1 ZINC000160141963 546057890 /nfs/dbraw/zinc/05/78/90/546057890.db2.gz JHVKZCKFYQANPB-MSOLQXFVSA-N 1 0 316.420 3.336 20 70 DGIDRO CCn1nccc1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000160098293 546057976 /nfs/dbraw/zinc/05/79/76/546057976.db2.gz PEWBWUBBPXGLQA-UHFFFAOYSA-N 1 0 312.186 3.094 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCSc2ccccc2Cl)C1 ZINC000160953786 546063210 /nfs/dbraw/zinc/06/32/10/546063210.db2.gz YUTWXEQVJGNOHY-NWDGAFQWSA-N 1 0 312.866 3.208 20 70 DGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000160972690 546063647 /nfs/dbraw/zinc/06/36/47/546063647.db2.gz PPQUUWJGNGQKIJ-MSOLQXFVSA-N 1 0 308.425 3.205 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccccc2CCc2ccccc2)C1 ZINC000161175648 546065625 /nfs/dbraw/zinc/06/56/25/546065625.db2.gz GWTMNNOFSZCVOZ-OALUTQOASA-N 1 0 322.452 3.472 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2ccccc2-c2ccccc2)C1 ZINC000161168405 546065742 /nfs/dbraw/zinc/06/57/42/546065742.db2.gz INICZESVNJDFFK-DLBZAZTESA-N 1 0 324.424 3.119 20 70 DGIDRO [NH3+]CCC1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000161208202 546066271 /nfs/dbraw/zinc/06/62/71/546066271.db2.gz FCBSBMAJFPWRBD-UHFFFAOYSA-N 1 0 306.406 3.241 20 70 DGIDRO COC[C@H]([NH2+][C@H](C)Cc1cccc(Br)c1)C1CC1 ZINC000161410317 546068274 /nfs/dbraw/zinc/06/82/74/546068274.db2.gz MUYPCISDSLFLSD-ABAIWWIYSA-N 1 0 312.251 3.395 20 70 DGIDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nccs1 ZINC000218148540 627103937 /nfs/dbraw/zinc/10/39/37/627103937.db2.gz FYTMJYIFRSHWAB-GFCCVEGCSA-N 1 0 311.451 3.022 20 70 DGIDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc2c(c1)CCC2 ZINC000218146071 627103979 /nfs/dbraw/zinc/10/39/79/627103979.db2.gz SYNOQXGBNKLJHT-CYBMUJFWSA-N 1 0 304.434 3.351 20 70 DGIDRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1nccs1 ZINC000218148598 627104180 /nfs/dbraw/zinc/10/41/80/627104180.db2.gz FYTMJYIFRSHWAB-LBPRGKRZSA-N 1 0 311.451 3.022 20 70 DGIDRO CCOc1ccccc1[C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000218165990 627104681 /nfs/dbraw/zinc/10/46/81/627104681.db2.gz POAWUTSRXWXUAJ-CYBMUJFWSA-N 1 0 308.422 3.261 20 70 DGIDRO CCc1ccccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000160715110 529567068 /nfs/dbraw/zinc/56/70/68/529567068.db2.gz IIXSZBQKJAXUEE-SFHVURJKSA-N 1 0 314.404 3.421 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000159558887 186127149 /nfs/dbraw/zinc/12/71/49/186127149.db2.gz KOOYFICZHPLLJX-QGZVFWFLSA-N 1 0 303.450 3.121 20 70 DGIDRO Fc1ccc(CCN2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000159570693 186127540 /nfs/dbraw/zinc/12/75/40/186127540.db2.gz NUMBSBIHYUSZNZ-SFHVURJKSA-N 1 0 322.493 3.318 20 70 DGIDRO CCCn1c(C)nnc1C[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000159584495 186128873 /nfs/dbraw/zinc/12/88/73/186128873.db2.gz CERMVYXEEZOMBB-QGZVFWFLSA-N 1 0 300.450 3.450 20 70 DGIDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000159597904 186129688 /nfs/dbraw/zinc/12/96/88/186129688.db2.gz WJBMXBIPVCISAW-SNVBAGLBSA-N 1 0 318.364 3.197 20 70 DGIDRO CSc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159591861 186129884 /nfs/dbraw/zinc/12/98/84/186129884.db2.gz JPYOSIHCKRUSFV-UHFFFAOYSA-N 1 0 323.506 3.199 20 70 DGIDRO Cc1cccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1F ZINC000159639915 186132702 /nfs/dbraw/zinc/13/27/02/186132702.db2.gz VJJUCCQNESXPSW-INIZCTEOSA-N 1 0 318.367 3.306 20 70 DGIDRO Cc1ccc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)o1 ZINC000161502237 197500073 /nfs/dbraw/zinc/50/00/73/197500073.db2.gz YZRRJEHWUPPXQD-UHFFFAOYSA-N 1 0 304.434 3.361 20 70 DGIDRO C[C@H](CC(=O)N1CCSC2(CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000161451021 197496028 /nfs/dbraw/zinc/49/60/28/197496028.db2.gz ZUHJVKZLUWZBCX-HZPDHXFCSA-N 1 0 324.534 3.291 20 70 DGIDRO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000160800983 197440383 /nfs/dbraw/zinc/44/03/83/197440383.db2.gz SDDZOOGDWIXLDK-XWUBHJNHSA-N 1 0 312.335 3.103 20 70 DGIDRO CC[C@H](NC(=O)CC1CC[NH2+]CC1)C(C)(C)c1ccccc1 ZINC000160761323 197437032 /nfs/dbraw/zinc/43/70/32/197437032.db2.gz LMBTXABBQDWVRT-KRWDZBQOSA-N 1 0 302.462 3.249 20 70 DGIDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160543295 197420896 /nfs/dbraw/zinc/42/08/96/197420896.db2.gz GCRCADLCLJDXJK-JTQLQIEISA-N 1 0 314.307 3.070 20 70 DGIDRO CC[C@H](C[NH2+][C@@H](CC)c1cnn(C)c1)Oc1ccccc1F ZINC000160304359 197398929 /nfs/dbraw/zinc/39/89/29/197398929.db2.gz INMHJHSZIRWTEE-ZBFHGGJFSA-N 1 0 305.397 3.458 20 70 DGIDRO CCc1nsc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160246329 197395243 /nfs/dbraw/zinc/39/52/43/197395243.db2.gz QUGSWIGYYZZWPP-GXTWGEPZSA-N 1 0 302.447 3.033 20 70 DGIDRO CC(C)(C)c1ccc(OCCCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160171796 197390842 /nfs/dbraw/zinc/39/08/42/197390842.db2.gz DATOXBXHDWCCOG-INIZCTEOSA-N 1 0 318.461 3.093 20 70 DGIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2cccc(F)c2)CC1 ZINC000160160391 197389362 /nfs/dbraw/zinc/38/93/62/197389362.db2.gz XERRCDUVMZAKTG-UHFFFAOYSA-N 1 0 321.440 3.089 20 70 DGIDRO Cc1cc2occ(CC(=O)N3CCC[C@@H]3C[NH3+])c2cc1C(C)C ZINC000160132924 197388280 /nfs/dbraw/zinc/38/82/80/197388280.db2.gz KHMLDXSZBACODH-OAHLLOKOSA-N 1 0 314.429 3.357 20 70 DGIDRO CC(C)(CCCc1ccccc1)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160122118 197387133 /nfs/dbraw/zinc/38/71/33/197387133.db2.gz PRULBXPHUCTHNC-QGZVFWFLSA-N 1 0 302.462 3.151 20 70 DGIDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@](C)(O)c1ccsc1)CC2 ZINC000159945000 197375538 /nfs/dbraw/zinc/37/55/38/197375538.db2.gz URRUQPIJMMNQQC-SJORKVTESA-N 1 0 303.427 3.241 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000159934613 197375161 /nfs/dbraw/zinc/37/51/61/197375161.db2.gz DNPWYPZBVWTJQY-LSDHHAIUSA-N 1 0 308.491 3.395 20 70 DGIDRO C[C@@H](C[NH2+][C@@H](C)c1cncc(F)c1)N1CCc2ccccc2C1 ZINC000159826205 197367204 /nfs/dbraw/zinc/36/72/04/197367204.db2.gz RNRZIINIOHOCLA-GJZGRUSLSA-N 1 0 313.420 3.318 20 70 DGIDRO Cc1ccc(-c2ccc(C[NH+]3CCC(CC(N)=O)CC3)o2)cc1 ZINC000159824351 197367567 /nfs/dbraw/zinc/36/75/67/197367567.db2.gz VBIGKYJNEGALCE-UHFFFAOYSA-N 1 0 312.413 3.342 20 70 DGIDRO Cc1ccc(-c2cc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)on2)cc1 ZINC000159817631 197366220 /nfs/dbraw/zinc/36/62/20/197366220.db2.gz FVWOQEKHOPGULC-YJBOKZPZSA-N 1 0 300.402 3.243 20 70 DGIDRO O=C(/C=C/c1ccccc1Cl)N1CCC([NH2+]CC2CC2)CC1 ZINC000159795874 197365332 /nfs/dbraw/zinc/36/53/32/197365332.db2.gz GAUXIJUHSCHXEC-BQYQJAHWSA-N 1 0 318.848 3.344 20 70 DGIDRO C[C@@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159792255 197364226 /nfs/dbraw/zinc/36/42/26/197364226.db2.gz QCOPKTLMKZCRCB-HNNXBMFYSA-N 1 0 300.446 3.171 20 70 DGIDRO Cc1cc(C)cc(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000159766508 197362257 /nfs/dbraw/zinc/36/22/57/197362257.db2.gz TUIURURAJQJWPU-RBUKOAKNSA-N 1 0 314.473 3.179 20 70 DGIDRO CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159511918 197360053 /nfs/dbraw/zinc/36/00/53/197360053.db2.gz QZKBVVVECSPTNI-OLMNPRSZSA-N 1 0 317.429 3.141 20 70 DGIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000159453265 197354861 /nfs/dbraw/zinc/35/48/61/197354861.db2.gz CWEUAFICNZGTJN-XABYNWHXSA-N 1 0 324.852 3.050 20 70 DGIDRO CC[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)Oc1cccc(C)c1 ZINC000161313048 197485070 /nfs/dbraw/zinc/48/50/70/197485070.db2.gz WDVYHJHAQAZQIY-DAWZGUTISA-N 1 0 318.461 3.189 20 70 DGIDRO COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000161051577 533572631 /nfs/dbraw/zinc/57/26/31/533572631.db2.gz ZNRHZHFEHHOQID-YDHLFZDLSA-N 1 0 322.424 3.309 20 70 DGIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000160108041 400732380 /nfs/dbraw/zinc/73/23/80/400732380.db2.gz IZPIJAJLYAYNHP-JKSUJKDBSA-N 1 0 311.491 3.164 20 70 DGIDRO CC(C)[N@H+](C)CCNC(=O)C1(c2cccs2)CCCCC1 ZINC000160181476 400733498 /nfs/dbraw/zinc/73/34/98/400733498.db2.gz PUHBCZAABLKWEY-UHFFFAOYSA-N 1 0 308.491 3.406 20 70 DGIDRO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000160833972 400735888 /nfs/dbraw/zinc/73/58/88/400735888.db2.gz JVCHSYQWBRXOJK-WBMJQRKESA-N 1 0 304.365 3.164 20 70 DGIDRO COC1(C(=O)N(C)c2ccc(-c3ccccc3)cc2)CC[NH2+]CC1 ZINC000161083230 400738603 /nfs/dbraw/zinc/73/86/03/400738603.db2.gz GZNHHICJUDCTNA-UHFFFAOYSA-N 1 0 324.424 3.085 20 70 DGIDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000217005551 165377064 /nfs/dbraw/zinc/37/70/64/165377064.db2.gz XZZTWWWFRRSOCT-CQSZACIVSA-N 1 0 309.406 3.156 20 70 DGIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)NCc1ccccc1F ZINC000218744625 165377909 /nfs/dbraw/zinc/37/79/09/165377909.db2.gz BQDRPTVECVEWJY-XJIUQZFPSA-N 1 0 306.425 3.245 20 70 DGIDRO C[C@]1(C(=O)NCC2([NH3+])CCCCC2)CCCc2ccccc21 ZINC000159474925 228241353 /nfs/dbraw/zinc/24/13/53/228241353.db2.gz DFTCRZHSDQZTTI-SFHVURJKSA-N 1 0 300.446 3.058 20 70 DGIDRO CC(C)[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc2c(c1)OCCO2 ZINC000161474971 276022782 /nfs/dbraw/zinc/02/27/82/276022782.db2.gz NUSFFWWGXADFGL-YJBOKZPZSA-N 1 0 305.418 3.314 20 70 DGIDRO C[C@@H](CC(=O)NCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000160047837 278221508 /nfs/dbraw/zinc/22/15/08/278221508.db2.gz UULDYMJEAACFGT-JTQLQIEISA-N 1 0 302.340 3.053 20 70 DGIDRO CC(C)(C[NH3+])C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000161073232 278609674 /nfs/dbraw/zinc/60/96/74/278609674.db2.gz NWZABBLXKPMLHB-GOSISDBHSA-N 1 0 310.441 3.114 20 70 DGIDRO C[C@H](CC(=O)NCC(C)(C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000160047948 279246383 /nfs/dbraw/zinc/24/63/83/279246383.db2.gz UULDYMJEAACFGT-SNVBAGLBSA-N 1 0 302.340 3.053 20 70 DGIDRO CC1CCC([NH+]2CCN(Cc3noc4c3CCCC4)CC2)CC1 ZINC000217213958 432654250 /nfs/dbraw/zinc/65/42/50/432654250.db2.gz QSWYQKXPUNFZKE-UHFFFAOYSA-N 1 0 317.477 3.250 20 70 DGIDRO Brc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000217266523 432655143 /nfs/dbraw/zinc/65/51/43/432655143.db2.gz UYHBXOSAQIXKHN-OAHLLOKOSA-N 1 0 309.251 3.025 20 70 DGIDRO CCc1ccc([C@H](CNC(=O)c2[nH]c(C)cc2C)[NH+](C)C)cc1 ZINC000159654119 432692724 /nfs/dbraw/zinc/69/27/24/432692724.db2.gz TVPMUSUGCLTYNA-KRWDZBQOSA-N 1 0 313.445 3.227 20 70 DGIDRO O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159719589 432694409 /nfs/dbraw/zinc/69/44/09/432694409.db2.gz COVVBLHZFOYMNB-AQNXPRMDSA-N 1 0 320.436 3.153 20 70 DGIDRO CC(=O)c1c(C)cc(C)c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1C ZINC000159874003 432699594 /nfs/dbraw/zinc/69/95/94/432699594.db2.gz DRGSRRMIIWGNLL-AEFFLSMTSA-N 1 0 303.446 3.407 20 70 DGIDRO Fc1cccc(C[N@H+](CCOCC2CC2)C[C@@H]2CCCO2)c1 ZINC000159861966 432699747 /nfs/dbraw/zinc/69/97/47/432699747.db2.gz PUJBIPOTLGUTCR-SFHVURJKSA-N 1 0 307.409 3.233 20 70 DGIDRO CCCC(=O)Nc1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000159896969 432701348 /nfs/dbraw/zinc/70/13/48/432701348.db2.gz MAZRCPZCSYBTFA-HDMKZQKVSA-N 1 0 317.477 3.244 20 70 DGIDRO CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000159907078 432701596 /nfs/dbraw/zinc/70/15/96/432701596.db2.gz YFDFPKXPBAHBDY-LBPRGKRZSA-N 1 0 302.205 3.194 20 70 DGIDRO COc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1Cl ZINC000160225266 432711578 /nfs/dbraw/zinc/71/15/78/432711578.db2.gz HFXQKDRTFMGVIF-ZYHUDNBSSA-N 1 0 303.855 3.113 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000160532507 432726493 /nfs/dbraw/zinc/72/64/93/432726493.db2.gz MIIAIOKXNUKQGD-GFCCVEGCSA-N 1 0 312.841 3.049 20 70 DGIDRO CC(C)c1ccc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160322231 432714246 /nfs/dbraw/zinc/71/42/46/432714246.db2.gz FYVTUOVPTOOAOS-HDICACEKSA-N 1 0 300.446 3.096 20 70 DGIDRO CCN(CC1CC1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160404633 432718851 /nfs/dbraw/zinc/71/88/51/432718851.db2.gz XXAUFIUMNAUOLQ-CRAIPNDOSA-N 1 0 315.461 3.091 20 70 DGIDRO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000159428019 432683966 /nfs/dbraw/zinc/68/39/66/432683966.db2.gz BMHOLYBKEFNMDQ-WVZRYYJFSA-N 1 0 304.409 3.253 20 70 DGIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000159415341 432684139 /nfs/dbraw/zinc/68/41/39/432684139.db2.gz SUPZCWSMQZKQTI-OAHLLOKOSA-N 1 0 302.418 3.175 20 70 DGIDRO CS[C@H](C)CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000159441025 432684195 /nfs/dbraw/zinc/68/41/95/432684195.db2.gz UMESHUMYLUWEDR-QLFBSQMISA-N 1 0 300.512 3.002 20 70 DGIDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000159500110 432684608 /nfs/dbraw/zinc/68/46/08/432684608.db2.gz ZBEIFGUSPDLNKE-AWEZNQCLSA-N 1 0 302.422 3.024 20 70 DGIDRO Cc1cc(C)n(-c2ccc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)cc2)n1 ZINC000159574045 432688297 /nfs/dbraw/zinc/68/82/97/432688297.db2.gz BXMQRSQETCBUMK-MJGOQNOKSA-N 1 0 313.445 3.082 20 70 DGIDRO C[N@@H+](Cc1ccc(Br)cc1F)C[C@H]1CCC[C@@H]1O ZINC000159602434 432688734 /nfs/dbraw/zinc/68/87/34/432688734.db2.gz ZOEAUTBTLUGVSF-RISCZKNCSA-N 1 0 316.214 3.181 20 70 DGIDRO Cc1ccc(C(=O)CC[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000160938148 432751482 /nfs/dbraw/zinc/75/14/82/432751482.db2.gz YEUSUIRCFCWAGN-KRWDZBQOSA-N 1 0 311.429 3.311 20 70 DGIDRO CCCCOc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1OC ZINC000160989139 432753144 /nfs/dbraw/zinc/75/31/44/432753144.db2.gz IHVSLTGEJFHJAP-CQSZACIVSA-N 1 0 322.449 3.049 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1ccc2c(c1)OCCO2 ZINC000161026423 432754066 /nfs/dbraw/zinc/75/40/66/432754066.db2.gz ORAXSPVZXULNEH-FZKQIMNGSA-N 1 0 315.417 3.239 20 70 DGIDRO C[C@@H](C(=O)N[C@@H]1CCOC2(CCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000161024962 432754430 /nfs/dbraw/zinc/75/44/30/432754430.db2.gz IUICYORXZPPWEH-VVLHAWIVSA-N 1 0 322.493 3.246 20 70 DGIDRO COc1cccc(-c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)c1 ZINC000161077968 432758647 /nfs/dbraw/zinc/75/86/47/432758647.db2.gz MYFFFYSXJGYQSJ-ROUUACIJSA-N 1 0 324.424 3.106 20 70 DGIDRO CC[C@H]([NH3+])C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000161116186 432759635 /nfs/dbraw/zinc/75/96/35/432759635.db2.gz LNCPFDODCAZXDI-GWCFXTLKSA-N 1 0 302.340 3.352 20 70 DGIDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1F ZINC000161129730 432761868 /nfs/dbraw/zinc/76/18/68/432761868.db2.gz JWXKLPZPUOFFDG-AWEZNQCLSA-N 1 0 316.424 3.427 20 70 DGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000161216955 432766916 /nfs/dbraw/zinc/76/69/16/432766916.db2.gz ORWRPHWXRSXMFZ-LBPRGKRZSA-N 1 0 322.355 3.337 20 70 DGIDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000161334624 432772815 /nfs/dbraw/zinc/77/28/15/432772815.db2.gz KTABNSJAHWJKAN-OAHLLOKOSA-N 1 0 308.397 3.459 20 70 DGIDRO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC[NH+]1CCCCC1 ZINC000161377566 432777136 /nfs/dbraw/zinc/77/71/36/432777136.db2.gz UQGQBXJRHCATHM-AOMKIAJQSA-N 1 0 322.518 3.293 20 70 DGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)CCC=C(C)C)c1 ZINC000161427446 432778066 /nfs/dbraw/zinc/77/80/66/432778066.db2.gz IRVAVOOIJVHAOP-LSDHHAIUSA-N 1 0 324.490 3.380 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)c2ccc(C)cc2)CC1 ZINC000161425265 432778493 /nfs/dbraw/zinc/77/84/93/432778493.db2.gz PWRGKNVEEKSZRR-UHFFFAOYSA-N 1 0 302.462 3.310 20 70 DGIDRO CC(=O)NC1CCC([NH2+][C@H](C)Cc2ccc(C)cc2C)CC1 ZINC000161480482 432781319 /nfs/dbraw/zinc/78/13/19/432781319.db2.gz PCUASTHRVTZBRV-VNCLNFNDSA-N 1 0 302.462 3.271 20 70 DGIDRO Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@H](C)CO1 ZINC000161469183 432781517 /nfs/dbraw/zinc/78/15/17/432781517.db2.gz HATMDTXUEARMAJ-DNVCBOLYSA-N 1 0 324.424 3.056 20 70 DGIDRO CC(C)n1ncc2cc(C[NH+]3CCC(c4cc[nH]n4)CC3)cnc21 ZINC000160545850 432727032 /nfs/dbraw/zinc/72/70/32/432727032.db2.gz MYJRPYIBFDFTPZ-UHFFFAOYSA-N 1 0 324.432 3.115 20 70 DGIDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160553465 432728265 /nfs/dbraw/zinc/72/82/65/432728265.db2.gz HNBPBKDPFTWHPS-YJLNNSPDSA-N 1 0 313.445 3.382 20 70 DGIDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(N2CCCC2=O)c1 ZINC000160557726 432728339 /nfs/dbraw/zinc/72/83/39/432728339.db2.gz MYDODCXYMXPTDQ-ZVZYQTTQSA-N 1 0 316.445 3.015 20 70 DGIDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160553361 432729238 /nfs/dbraw/zinc/72/92/38/432729238.db2.gz HNBPBKDPFTWHPS-BJZITVGISA-N 1 0 313.445 3.382 20 70 DGIDRO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000160583278 432730056 /nfs/dbraw/zinc/73/00/56/432730056.db2.gz LJXBJVQGIGUVCT-MRXNPFEDSA-N 1 0 302.418 3.226 20 70 DGIDRO CC[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)[C@@H]1CCOC1 ZINC000160623407 432732100 /nfs/dbraw/zinc/73/21/00/432732100.db2.gz ZDEGHBKRLSPQCG-KGLIPLIRSA-N 1 0 308.491 3.359 20 70 DGIDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1ccc(F)cc1 ZINC000160725229 432737572 /nfs/dbraw/zinc/73/75/72/432737572.db2.gz UHGNSOUUHQXRNR-QGZVFWFLSA-N 1 0 300.377 3.426 20 70 DGIDRO CCCC[N@H+](CC1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000160794563 432743195 /nfs/dbraw/zinc/74/31/95/432743195.db2.gz DQMGVFHWJSEBFF-UYSNPLJNSA-N 1 0 301.496 3.102 20 70 DGIDRO CC(C)[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc2c(c1)OCCO2 ZINC000161475084 432782052 /nfs/dbraw/zinc/78/20/52/432782052.db2.gz NUSFFWWGXADFGL-MAUKXSAKSA-N 1 0 305.418 3.314 20 70 DGIDRO CC[C@@]1(C)C[C@H]1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000160849589 432746270 /nfs/dbraw/zinc/74/62/70/432746270.db2.gz JZWXRUZAEPVDMV-WMZOPIPTSA-N 1 0 304.434 3.139 20 70 DGIDRO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H](CO)c1ccccc1)CCC2 ZINC000161495507 432783357 /nfs/dbraw/zinc/78/33/57/432783357.db2.gz QEZAQUMNIBJMJI-LSDHHAIUSA-N 1 0 316.470 3.449 20 70 DGIDRO CC[C@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccc(OC)cc1 ZINC000159582992 292795715 /nfs/dbraw/zinc/79/57/15/292795715.db2.gz CIADHMHSNYEOOU-KDOFPFPSSA-N 1 0 318.461 3.035 20 70 DGIDRO CC1CCC(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)CC1 ZINC000159603873 292796308 /nfs/dbraw/zinc/79/63/08/292796308.db2.gz VQFMYFHTCSFBLW-DQPZFDDXSA-N 1 0 309.475 3.188 20 70 DGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](CC)[C@H]2CCOC2)c1 ZINC000159923056 292803596 /nfs/dbraw/zinc/80/35/96/292803596.db2.gz HHVUOYGHNJKCST-DOTOQJQBSA-N 1 0 304.434 3.330 20 70 DGIDRO Cc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cc1 ZINC000160068632 292806956 /nfs/dbraw/zinc/80/69/56/292806956.db2.gz OICGAUWRSUJVMD-UHFFFAOYSA-N 1 0 311.429 3.475 20 70 DGIDRO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000161123384 292828631 /nfs/dbraw/zinc/82/86/31/292828631.db2.gz PWFZXCSZDAZTDN-QGZVFWFLSA-N 1 0 307.482 3.106 20 70 DGIDRO COC[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000161155483 292829306 /nfs/dbraw/zinc/82/93/06/292829306.db2.gz OITYMFXRWLKGRJ-DOMZBBRYSA-N 1 0 314.832 3.068 20 70 DGIDRO CCSc1ccccc1[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160406805 521783450 /nfs/dbraw/zinc/78/34/50/521783450.db2.gz FQIRPANBIZHFTO-JSGCOSHPSA-N 1 0 316.474 3.364 20 70 DGIDRO O=C(c1ccc2c(c1)Cc1ccccc1-2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160485526 534724590 /nfs/dbraw/zinc/72/45/90/534724590.db2.gz AFVYRXXLWYLSMT-HDICACEKSA-N 1 0 318.420 3.224 20 70 DGIDRO O=C(N[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159719441 534736926 /nfs/dbraw/zinc/73/69/26/534736926.db2.gz COVVBLHZFOYMNB-ZCNNSNEGSA-N 1 0 320.436 3.153 20 70 DGIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160397113 524219467 /nfs/dbraw/zinc/21/94/67/524219467.db2.gz VKAPNXVZHVGLCP-MRXNPFEDSA-N 1 0 307.482 3.084 20 70 DGIDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cnc2ccccn12 ZINC000160512748 524629334 /nfs/dbraw/zinc/62/93/34/524629334.db2.gz XNUQRTHCUIJVEK-KRWDZBQOSA-N 1 0 320.440 3.041 20 70 DGIDRO O=C(C[C@H]1CCC[NH2+]1)NC(c1cccs1)c1cccs1 ZINC000159927881 527165156 /nfs/dbraw/zinc/16/51/56/527165156.db2.gz FETHWKTWNGZFDT-LLVKDONJSA-N 1 0 306.456 3.157 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3c(s1)CCCC3)CC2 ZINC000160412521 527199034 /nfs/dbraw/zinc/19/90/34/527199034.db2.gz ZRZNGLMJDVJFRW-BXUZGUMPSA-N 1 0 316.474 3.192 20 70 DGIDRO Cc1ncc([C@@H](C)NC[C@H](C2CCCCC2)[NH+](C)C)c(C)n1 ZINC000160401309 527307059 /nfs/dbraw/zinc/30/70/59/527307059.db2.gz PVUKMBVGMNEKLP-FZKQIMNGSA-N 1 0 304.482 3.255 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2ccccc2C)CC1 ZINC000159793032 529022351 /nfs/dbraw/zinc/02/23/51/529022351.db2.gz BDIYWZZAXLSFMW-UHFFFAOYSA-N 1 0 317.477 3.010 20 70 DGIDRO CCC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccn1 ZINC000159386103 546053252 /nfs/dbraw/zinc/05/32/52/546053252.db2.gz IDABNKMTUQIEGW-WMZOPIPTSA-N 1 0 315.461 3.304 20 70 DGIDRO CN(Cc1cc(Cl)ccc1OC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000159994894 546057659 /nfs/dbraw/zinc/05/76/59/546057659.db2.gz WKBYDIISPNFCBI-LBPRGKRZSA-N 1 0 304.768 3.111 20 70 DGIDRO COC[C@@H](C)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160321193 546059724 /nfs/dbraw/zinc/05/97/24/546059724.db2.gz PGNDOXRRNATCKN-NSHDSACASA-N 1 0 323.234 3.369 20 70 DGIDRO O=C(NC1CC=CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160359502 546060357 /nfs/dbraw/zinc/06/03/57/546060357.db2.gz BTZCINOPILPIIB-UHFFFAOYSA-N 1 0 305.466 3.003 20 70 DGIDRO CCCCCOc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160970585 546064105 /nfs/dbraw/zinc/06/41/05/546064105.db2.gz PDUWVRGFIQKMSU-CVEARBPZSA-N 1 0 304.434 3.255 20 70 DGIDRO Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161007586 546065267 /nfs/dbraw/zinc/06/52/67/546065267.db2.gz QJVBWNNSRYSXQC-GHMZBOCLSA-N 1 0 321.471 3.180 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCSc2ccc(Cl)cc2)C1 ZINC000161169258 546065604 /nfs/dbraw/zinc/06/56/04/546065604.db2.gz NNOKFMUIQQKMPP-CHWSQXEVSA-N 1 0 312.866 3.208 20 70 DGIDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000161201183 546065891 /nfs/dbraw/zinc/06/58/91/546065891.db2.gz MJRSQOGVEZPLTN-GXFFZTMASA-N 1 0 306.406 3.382 20 70 DGIDRO CS(=O)(=O)CCCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000161491889 546068797 /nfs/dbraw/zinc/06/87/97/546068797.db2.gz DLVLSQQJWYYNNN-UHFFFAOYSA-N 1 0 315.866 3.129 20 70 DGIDRO CC(C)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000161433118 546068897 /nfs/dbraw/zinc/06/88/97/546068897.db2.gz UQZMFKHCMPTHSE-ZIAGYGMSSA-N 1 0 311.429 3.358 20 70 DGIDRO Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000161505822 546070395 /nfs/dbraw/zinc/07/03/95/546070395.db2.gz AHKFKDLKKIUQKM-CQSZACIVSA-N 1 0 304.438 3.024 20 70 DGIDRO CN(C(=O)Nc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000217304180 627052964 /nfs/dbraw/zinc/05/29/64/627052964.db2.gz SZPABEWDZOBKKW-UHFFFAOYSA-N 1 0 315.339 3.263 20 70 DGIDRO Clc1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nn1 ZINC000218769150 627123129 /nfs/dbraw/zinc/12/31/29/627123129.db2.gz ZHSSFZHHXSMCQY-AWEZNQCLSA-N 1 0 302.809 3.379 20 70 DGIDRO CSCCCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000159631930 186131766 /nfs/dbraw/zinc/13/17/66/186131766.db2.gz JPRTVVPQVIRJOX-UHFFFAOYSA-N 1 0 320.502 3.432 20 70 DGIDRO CS[C@@H](C)CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000160975713 197453647 /nfs/dbraw/zinc/45/36/47/197453647.db2.gz KVVWVAVQAMZFSI-AWEZNQCLSA-N 1 0 306.475 3.405 20 70 DGIDRO [NH3+][C@@H]1[C@H](C(=O)Nc2cccc(CC(F)(F)F)c2)[C@@H]2CC[C@H]1C2 ZINC000160800846 197440141 /nfs/dbraw/zinc/44/01/41/197440141.db2.gz SDDZOOGDWIXLDK-WVWOOGAGSA-N 1 0 312.335 3.103 20 70 DGIDRO CCOc1c(OC)cc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000160467437 197412628 /nfs/dbraw/zinc/41/26/28/197412628.db2.gz LWUDTCXPZAOUPC-CQSZACIVSA-N 1 0 323.433 3.150 20 70 DGIDRO C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000160273421 197396828 /nfs/dbraw/zinc/39/68/28/197396828.db2.gz VQUBQCWXXNMSRX-ZMPRRUGASA-N 1 0 322.518 3.339 20 70 DGIDRO CCc1nsc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160246461 197395278 /nfs/dbraw/zinc/39/52/78/197395278.db2.gz QUGSWIGYYZZWPP-JSGCOSHPSA-N 1 0 302.447 3.033 20 70 DGIDRO CC[C@H](C(=O)NCC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000160053646 197382880 /nfs/dbraw/zinc/38/28/80/197382880.db2.gz HEWXCVZQLVQDIT-LBPRGKRZSA-N 1 0 302.340 3.053 20 70 DGIDRO CC(C)([NH3+])CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000160054242 197383049 /nfs/dbraw/zinc/38/30/49/197383049.db2.gz LQEWMOPNWLZVMJ-UHFFFAOYSA-N 1 0 317.820 3.233 20 70 DGIDRO C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000160103621 197386534 /nfs/dbraw/zinc/38/65/34/197386534.db2.gz KSGDSOCBLDWLNU-FQEVSTJZSA-N 1 0 308.425 3.339 20 70 DGIDRO C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000160103759 197386117 /nfs/dbraw/zinc/38/61/17/197386117.db2.gz KSGDSOCBLDWLNU-HXUWFJFHSA-N 1 0 308.425 3.339 20 70 DGIDRO CC(C)([NH3+])CNC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000160092626 197385601 /nfs/dbraw/zinc/38/56/01/197385601.db2.gz NSIINPRCMJZORI-UHFFFAOYSA-N 1 0 304.434 3.113 20 70 DGIDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159966674 197376634 /nfs/dbraw/zinc/37/66/34/197376634.db2.gz YSXQKULCIQIWPG-UKRRQHHQSA-N 1 0 305.418 3.284 20 70 DGIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000159934382 197374580 /nfs/dbraw/zinc/37/45/80/197374580.db2.gz DNPWYPZBVWTJQY-GJZGRUSLSA-N 1 0 308.491 3.395 20 70 DGIDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000159893471 197371827 /nfs/dbraw/zinc/37/18/27/197371827.db2.gz YWKRGWUTEIZLNM-CXAGYDPISA-N 1 0 305.443 3.185 20 70 DGIDRO O=C(c1cc2c(s1)CCCC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159870435 197370173 /nfs/dbraw/zinc/37/01/73/197370173.db2.gz APHPXOVDGDYNEQ-UHFFFAOYSA-N 1 0 318.486 3.231 20 70 DGIDRO CCN(CC)[C@H](C[NH2+]Cc1ccnn1CC)c1ccccc1 ZINC000159873613 197369865 /nfs/dbraw/zinc/36/98/65/197369865.db2.gz RGPGLHJLAZGUDR-GOSISDBHSA-N 1 0 300.450 3.076 20 70 DGIDRO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C[C@H]1CCC[C@@H]1O ZINC000159809380 197366618 /nfs/dbraw/zinc/36/66/18/197366618.db2.gz YPAGSJZTCPWTFD-DOMZBBRYSA-N 1 0 304.365 3.074 20 70 DGIDRO CC(C)(Cc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159786167 197364685 /nfs/dbraw/zinc/36/46/85/197364685.db2.gz ZDMYDPPFYOQBCZ-UHFFFAOYSA-N 1 0 314.473 3.246 20 70 DGIDRO Cc1cc(C)cc(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000159485184 197357432 /nfs/dbraw/zinc/35/74/32/197357432.db2.gz CIYSOBWXYCOEMW-RBUKOAKNSA-N 1 0 314.473 3.179 20 70 DGIDRO Cc1nc2cc(F)ccc2cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159562316 197361578 /nfs/dbraw/zinc/36/15/78/197361578.db2.gz XQHWGMDMULDJDZ-UHFFFAOYSA-N 1 0 315.392 3.074 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000159529127 197360903 /nfs/dbraw/zinc/36/09/03/197360903.db2.gz DIOCJFITVMKIAJ-ZDUSSCGKSA-N 1 0 309.841 3.138 20 70 DGIDRO O=C(Nc1ccc(COCc2ccccc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000159515009 197360014 /nfs/dbraw/zinc/36/00/14/197360014.db2.gz GBRZWEIIFXVBQH-IBGZPJMESA-N 1 0 324.424 3.484 20 70 DGIDRO CSc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1F ZINC000159422329 197352574 /nfs/dbraw/zinc/35/25/74/197352574.db2.gz IDDQYHQLOIKEGS-LBPRGKRZSA-N 1 0 310.438 3.009 20 70 DGIDRO OCC1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCCC1 ZINC000160124368 285247239 /nfs/dbraw/zinc/24/72/39/285247239.db2.gz TXAJFCVUESSUGZ-UHFFFAOYSA-N 1 0 305.315 3.487 20 70 DGIDRO O=C(NCC[NH2+]C1CCCCCC1)c1csc(C2CC2)n1 ZINC000159637628 228242667 /nfs/dbraw/zinc/24/26/67/228242667.db2.gz UUKKPTWJXWQQTC-UHFFFAOYSA-N 1 0 307.463 3.063 20 70 DGIDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000161429961 228252783 /nfs/dbraw/zinc/25/27/83/228252783.db2.gz NNSIGFABVFBRDC-FZKCQIBNSA-N 1 0 310.507 3.171 20 70 DGIDRO Brc1ccccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000217266529 432654563 /nfs/dbraw/zinc/65/45/63/432654563.db2.gz RFDDUWFEVOWNJO-HNNXBMFYSA-N 1 0 309.251 3.025 20 70 DGIDRO C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H](O)Cc1ccccc1 ZINC000218689496 432660744 /nfs/dbraw/zinc/66/07/44/432660744.db2.gz YGQOKRFWBAXQIV-KRWDZBQOSA-N 1 0 319.832 3.254 20 70 DGIDRO CCOc1cccc(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159689856 432692692 /nfs/dbraw/zinc/69/26/92/432692692.db2.gz ZZGFVQSJVWQBPP-UHFFFAOYSA-N 1 0 304.434 3.128 20 70 DGIDRO Cc1cccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1F ZINC000159712388 432694382 /nfs/dbraw/zinc/69/43/82/432694382.db2.gz LHLKLTBEMPGQMA-UHFFFAOYSA-N 1 0 300.377 3.126 20 70 DGIDRO Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)C2CC2)o1 ZINC000159722297 432694549 /nfs/dbraw/zinc/69/45/49/432694549.db2.gz FRFBSVAXNZSTHV-YJBOKZPZSA-N 1 0 316.445 3.344 20 70 DGIDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159751239 432696232 /nfs/dbraw/zinc/69/62/32/432696232.db2.gz UIPQTHQTEFNOME-KGLIPLIRSA-N 1 0 312.523 3.097 20 70 DGIDRO CC(C)N(C(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1)C(C)C ZINC000159800480 432697292 /nfs/dbraw/zinc/69/72/92/432697292.db2.gz GBVZEHYDZOBFLN-INIZCTEOSA-N 1 0 319.493 3.218 20 70 DGIDRO C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000159842210 432698148 /nfs/dbraw/zinc/69/81/48/432698148.db2.gz HUACREJJIUQRDM-BXUZGUMPSA-N 1 0 319.392 3.046 20 70 DGIDRO C[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)N1CCc2sccc2C1 ZINC000159875904 432699589 /nfs/dbraw/zinc/69/95/89/432699589.db2.gz XUGSJMXCDBDHGB-CJNGLKHVSA-N 1 0 322.518 3.430 20 70 DGIDRO CC[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCOC1 ZINC000159853822 432699780 /nfs/dbraw/zinc/69/97/80/432699780.db2.gz NMVXWXSXCYJKQB-VQIMIIECSA-N 1 0 313.445 3.394 20 70 DGIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159852527 432700036 /nfs/dbraw/zinc/70/00/36/432700036.db2.gz GMDZJODOCGFDCK-CABCVRRESA-N 1 0 306.475 3.149 20 70 DGIDRO CCC[N@H+](CCOCC1CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000159953274 432702561 /nfs/dbraw/zinc/70/25/61/432702561.db2.gz QSBYCSGZLDEWCA-OAHLLOKOSA-N 1 0 304.434 3.152 20 70 DGIDRO COc1cccc(CCC[NH+]2CCC(c3noc(C)n3)CC2)c1 ZINC000159993202 432703767 /nfs/dbraw/zinc/70/37/67/432703767.db2.gz RGUSXKNAUQKIFU-UHFFFAOYSA-N 1 0 315.417 3.199 20 70 DGIDRO Cc1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000159975294 432703872 /nfs/dbraw/zinc/70/38/72/432703872.db2.gz FHABREGYGGUFDJ-UHFFFAOYSA-N 1 0 303.450 3.011 20 70 DGIDRO CC[C@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)[NH+](C)C ZINC000160095020 432706096 /nfs/dbraw/zinc/70/60/96/432706096.db2.gz CEQGTFODYHJXMB-CHWSQXEVSA-N 1 0 312.866 3.333 20 70 DGIDRO CCC[C@@H]([NH2+][C@H](C)C(C)C)C(=O)N1CCc2sccc2C1 ZINC000160165060 432708171 /nfs/dbraw/zinc/70/81/71/432708171.db2.gz RSURLPQODFSZGU-UKRRQHHQSA-N 1 0 308.491 3.436 20 70 DGIDRO CCCC1(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000160232740 432711303 /nfs/dbraw/zinc/71/13/03/432711303.db2.gz GFVQNVMIJXFULM-CYBMUJFWSA-N 1 0 309.479 3.230 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000160214352 432711758 /nfs/dbraw/zinc/71/17/58/432711758.db2.gz ZQDODXBOOKVBIM-NWDGAFQWSA-N 1 0 319.417 3.361 20 70 DGIDRO CCc1ccc(/C=C/C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000160271758 432712954 /nfs/dbraw/zinc/71/29/54/432712954.db2.gz QBDJMGIWNAYDGT-ZNFPLGDCSA-N 1 0 316.445 3.332 20 70 DGIDRO CCCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160342490 432715388 /nfs/dbraw/zinc/71/53/88/432715388.db2.gz MUHORULTGZTZNP-DOTOQJQBSA-N 1 0 303.450 3.091 20 70 DGIDRO CCOCCCN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000160365455 432717457 /nfs/dbraw/zinc/71/74/57/432717457.db2.gz GDCDUUSLPREQMQ-HNNXBMFYSA-N 1 0 301.789 3.279 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)CC2 ZINC000160384787 432717885 /nfs/dbraw/zinc/71/78/85/432717885.db2.gz QTIXETSGPBSYCF-BXKDBHETSA-N 1 0 308.788 3.045 20 70 DGIDRO CC[C@@H](COC)[NH2+]C[C@H](C)Oc1ccccc1Br ZINC000160396130 432718602 /nfs/dbraw/zinc/71/86/02/432718602.db2.gz QDCRLRRYMOYIJH-RYUDHWBXSA-N 1 0 316.239 3.231 20 70 DGIDRO C[C@H](Cc1cccs1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160413396 432719636 /nfs/dbraw/zinc/71/96/36/432719636.db2.gz JSMWMGWOJWAIHZ-CQSZACIVSA-N 1 0 323.506 3.195 20 70 DGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1)CC2 ZINC000160483800 432722438 /nfs/dbraw/zinc/72/24/38/432722438.db2.gz WTDDDWKAANNNNB-QMTHXVAHSA-N 1 0 324.350 3.271 20 70 DGIDRO C[C@@H](C(=O)NCCc1cc2ccccc2o1)[C@@H]([NH3+])c1ccccc1 ZINC000160487657 432723317 /nfs/dbraw/zinc/72/33/17/432723317.db2.gz ATPGHCQFVBAUDY-AUUYWEPGSA-N 1 0 322.408 3.428 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(OC)c2ccccc12 ZINC000160473002 432723558 /nfs/dbraw/zinc/72/35/58/432723558.db2.gz LETRURGKIVLMMZ-UHFFFAOYSA-N 1 0 300.402 3.096 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC000160504126 432725098 /nfs/dbraw/zinc/72/50/98/432725098.db2.gz HNBZXWPXFYKQRS-UHFFFAOYSA-N 1 0 311.429 3.304 20 70 DGIDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000159500256 432685264 /nfs/dbraw/zinc/68/52/64/432685264.db2.gz ZBEIFGUSPDLNKE-CQSZACIVSA-N 1 0 302.422 3.024 20 70 DGIDRO C[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[NH+]1CCCCCC1 ZINC000159573896 432687863 /nfs/dbraw/zinc/68/78/63/432687863.db2.gz GWOQTXHYPLGKAK-HNNXBMFYSA-N 1 0 313.445 3.091 20 70 DGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1OC(F)F ZINC000159631684 432690399 /nfs/dbraw/zinc/69/03/99/432690399.db2.gz PVDRAHZHVWAHOD-JSGCOSHPSA-N 1 0 324.371 3.491 20 70 DGIDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccc2cc(OC)ccc2c1 ZINC000160942554 432751525 /nfs/dbraw/zinc/75/15/25/432751525.db2.gz CWLRUIWBNVCYAD-SFHVURJKSA-N 1 0 314.429 3.414 20 70 DGIDRO Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000160984723 432753109 /nfs/dbraw/zinc/75/31/09/432753109.db2.gz MCIBEYFSIACVAS-ROUUACIJSA-N 1 0 300.446 3.438 20 70 DGIDRO COc1ccc(OC)c([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161015941 432755253 /nfs/dbraw/zinc/75/52/53/432755253.db2.gz AOSOFSNDKUOAHB-KFWWJZLASA-N 1 0 306.450 3.227 20 70 DGIDRO CC(C)C[C@@H]1CCCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000161050493 432755842 /nfs/dbraw/zinc/75/58/42/432755842.db2.gz CLJBIQFJEFXBCZ-WMZOPIPTSA-N 1 0 324.509 3.064 20 70 DGIDRO CC[C@H](C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[NH+](C)C ZINC000161049228 432755955 /nfs/dbraw/zinc/75/59/55/432755955.db2.gz OEYKNASVJMPMPN-GOSISDBHSA-N 1 0 311.429 3.124 20 70 DGIDRO CCn1cc([C@H](C)[NH2+]CCCOCc2ccc(OC)cc2)cn1 ZINC000161086804 432757647 /nfs/dbraw/zinc/75/76/47/432757647.db2.gz CKXRLMGCMWDQJG-HNNXBMFYSA-N 1 0 317.433 3.169 20 70 DGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)[C@@H]2CCOC2)c1 ZINC000161114760 432759581 /nfs/dbraw/zinc/75/95/81/432759581.db2.gz PZJKOBWQLVZFQW-QGTPRVQTSA-N 1 0 318.461 3.120 20 70 DGIDRO CCC[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000161096126 432759894 /nfs/dbraw/zinc/75/98/94/432759894.db2.gz ORKGDRJFJHAJRC-HNNXBMFYSA-N 1 0 301.496 3.102 20 70 DGIDRO CCN(C(=O)CCC[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000161117181 432760782 /nfs/dbraw/zinc/76/07/82/432760782.db2.gz MAURVQURPBXMDC-NSHDSACASA-N 1 0 302.340 3.354 20 70 DGIDRO C[NH+]1CCC(C(=O)NC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000161143122 432761751 /nfs/dbraw/zinc/76/17/51/432761751.db2.gz OSJHAKYCVWCOSN-UHFFFAOYSA-N 1 0 322.399 3.192 20 70 DGIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000161135093 432762014 /nfs/dbraw/zinc/76/20/14/432762014.db2.gz ZPTZJZUCUJWIQA-UHFFFAOYSA-N 1 0 304.434 3.472 20 70 DGIDRO CCN(Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161132320 432762111 /nfs/dbraw/zinc/76/21/11/432762111.db2.gz JZUZWPCACCBTIJ-AWEZNQCLSA-N 1 0 315.392 3.378 20 70 DGIDRO C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cnccn1 ZINC000161158436 432763844 /nfs/dbraw/zinc/76/38/44/432763844.db2.gz FDKCYHFGKJKQKT-LLVKDONJSA-N 1 0 311.307 3.269 20 70 DGIDRO C[C@H]1CCC[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000161181149 432765520 /nfs/dbraw/zinc/76/55/20/432765520.db2.gz WVJGAVJTSKKTCE-QRTARXTBSA-N 1 0 306.425 3.371 20 70 DGIDRO CCCCN(CC)c1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161198558 432765771 /nfs/dbraw/zinc/76/57/71/432765771.db2.gz GLBKBWIEGDDXFN-SFHVURJKSA-N 1 0 317.477 3.137 20 70 DGIDRO C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C(=O)NCc1ccccc1 ZINC000161194218 432765916 /nfs/dbraw/zinc/76/59/16/432765916.db2.gz WZPAXYQFZFLYER-UONOGXRCSA-N 1 0 308.491 3.201 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)on1 ZINC000161203447 432766476 /nfs/dbraw/zinc/76/64/76/432766476.db2.gz KHQKXIYZGUWXEO-GFCCVEGCSA-N 1 0 307.438 3.181 20 70 DGIDRO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000161293804 432771687 /nfs/dbraw/zinc/77/16/87/432771687.db2.gz LSUGDSSFPMWEJX-UDQGHGIZSA-N 1 0 306.837 3.281 20 70 DGIDRO CC[C@@H](C)c1cc(C(=O)N[C@H](C)CCC[NH+](CC)CC)on1 ZINC000161293455 432772083 /nfs/dbraw/zinc/77/20/83/432772083.db2.gz WOQVVEOXSUTUMH-ZIAGYGMSSA-N 1 0 309.454 3.428 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000161416681 432778503 /nfs/dbraw/zinc/77/85/03/432778503.db2.gz MAFQFQBMMJLNIP-UHFFFAOYSA-N 1 0 320.864 3.409 20 70 DGIDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2c(C)nc3ccccn32)C1(C)C ZINC000160570415 432729666 /nfs/dbraw/zinc/72/96/66/432729666.db2.gz LTWWPPFESDDMBT-HOTGVXAUSA-N 1 0 301.434 3.278 20 70 DGIDRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(F)cc1 ZINC000160711109 432737652 /nfs/dbraw/zinc/73/76/52/432737652.db2.gz VFFAIGSEEPTHPY-KRWDZBQOSA-N 1 0 300.377 3.296 20 70 DGIDRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(F)cc1 ZINC000160711211 432737730 /nfs/dbraw/zinc/73/77/30/432737730.db2.gz VFFAIGSEEPTHPY-QGZVFWFLSA-N 1 0 300.377 3.296 20 70 DGIDRO CCCC[N@H+](Cc1cc(C)c(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000160752670 432738468 /nfs/dbraw/zinc/73/84/68/432738468.db2.gz WSHIWGZPXPERSN-GOSISDBHSA-N 1 0 323.502 3.401 20 70 DGIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](CCCO)c1ccccc1 ZINC000160795017 432742325 /nfs/dbraw/zinc/74/23/25/432742325.db2.gz KYMDMOVUNYHWBF-WOJBJXKFSA-N 1 0 313.441 3.348 20 70 DGIDRO CC[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000160805688 432743141 /nfs/dbraw/zinc/74/31/41/432743141.db2.gz UULHNIORPSKHBH-CJNGLKHVSA-N 1 0 324.852 3.463 20 70 DGIDRO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC1=CCCOC1 ZINC000161485397 432781977 /nfs/dbraw/zinc/78/19/77/432781977.db2.gz SVNXILZEAOFVAG-UHFFFAOYSA-N 1 0 320.408 3.211 20 70 DGIDRO Cc1ccc(/C=C/C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000161498852 432783031 /nfs/dbraw/zinc/78/30/31/432783031.db2.gz KKNBQWSZNLKYAZ-KXGSISTFSA-N 1 0 318.848 3.403 20 70 DGIDRO C[C@@]1(C(=O)NCC2([NH3+])CCCCC2)CCCc2ccccc21 ZINC000159475057 289140036 /nfs/dbraw/zinc/14/00/36/289140036.db2.gz DFTCRZHSDQZTTI-GOSISDBHSA-N 1 0 300.446 3.058 20 70 DGIDRO CCS[C@H]1CCC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000159409166 292792506 /nfs/dbraw/zinc/79/25/06/292792506.db2.gz BKOUUHVODMLPRS-KBPBESRZSA-N 1 0 306.466 3.370 20 70 DGIDRO CC[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCOC1 ZINC000160023143 292805607 /nfs/dbraw/zinc/80/56/07/292805607.db2.gz FALQSGMRJSUYRE-CABCVRRESA-N 1 0 322.415 3.056 20 70 DGIDRO CC[NH+](CC)[C@H](CNC(=O)C1=CCCC1)c1cccc(OC)c1 ZINC000160245187 292810808 /nfs/dbraw/zinc/81/08/08/292810808.db2.gz OEVCZIHDUZTQQE-GOSISDBHSA-N 1 0 316.445 3.305 20 70 DGIDRO CC[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000160497068 292815678 /nfs/dbraw/zinc/81/56/78/292815678.db2.gz FSZHRTBLANETFI-WFASDCNBSA-N 1 0 317.351 3.489 20 70 DGIDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1C ZINC000160530064 292816263 /nfs/dbraw/zinc/81/62/63/292816263.db2.gz IXPVEUGILMTKHW-LESCRADOSA-N 1 0 318.461 3.161 20 70 DGIDRO CN(CCc1ccc(F)cc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160966730 292825332 /nfs/dbraw/zinc/82/53/32/292825332.db2.gz CQECTCWTBQNZKX-UHFFFAOYSA-N 1 0 314.404 3.202 20 70 DGIDRO CC(=O)NC1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000161265018 292832101 /nfs/dbraw/zinc/83/21/01/292832101.db2.gz CNRQRYCDPMZNFP-ABXWRUBCSA-N 1 0 306.372 3.144 20 70 DGIDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000161293633 292832644 /nfs/dbraw/zinc/83/26/44/292832644.db2.gz LGRMCAJKLYTVHN-CYBMUJFWSA-N 1 0 320.864 3.262 20 70 DGIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 ZINC000161274748 292832775 /nfs/dbraw/zinc/83/27/75/292832775.db2.gz XITCQIFEUDCUBE-CYBMUJFWSA-N 1 0 309.413 3.471 20 70 DGIDRO Cc1cc([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)c(C)o1 ZINC000161419368 292835126 /nfs/dbraw/zinc/83/51/26/292835126.db2.gz PBCXORVOYMTCIW-ZDUSSCGKSA-N 1 0 300.402 3.449 20 70 DGIDRO COc1ccc(C(C)(C)C[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161464312 295101609 /nfs/dbraw/zinc/10/16/09/295101609.db2.gz ANJCRFCEJIWTFA-UHFFFAOYSA-N 1 0 318.461 3.010 20 70 DGIDRO [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000160966157 295278937 /nfs/dbraw/zinc/27/89/37/295278937.db2.gz GWESPBPAVOXXSU-RYUDHWBXSA-N 1 0 300.324 3.453 20 70 DGIDRO Cn1cc(C[N@H+](C)Cc2cccc(F)c2)c(-c2cccnc2)n1 ZINC000160460936 523491616 /nfs/dbraw/zinc/49/16/16/523491616.db2.gz JEYYFQAPVGBQEV-UHFFFAOYSA-N 1 0 310.376 3.253 20 70 DGIDRO C[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)N1CCc2sccc2C1 ZINC000159875642 524498396 /nfs/dbraw/zinc/49/83/96/524498396.db2.gz XUGSJMXCDBDHGB-CZUORRHYSA-N 1 0 322.518 3.430 20 70 DGIDRO O=C(CC1CC[NH2+]CC1)Nc1cccc(CC(F)(F)F)c1 ZINC000160803269 526369470 /nfs/dbraw/zinc/36/94/70/526369470.db2.gz XPXBIXQDOKUMPQ-UHFFFAOYSA-N 1 0 300.324 3.120 20 70 DGIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)C(C)C)CC1 ZINC000159679333 529024848 /nfs/dbraw/zinc/02/48/48/529024848.db2.gz YGZASCHNBNCQOE-GOSISDBHSA-N 1 0 317.477 3.163 20 70 DGIDRO Cc1nccc(NC(=O)N(CC[NH+](C)C)CC(C)C)c1Cl ZINC000159840013 546056235 /nfs/dbraw/zinc/05/62/35/546056235.db2.gz BXCXLRWOBQVKCE-UHFFFAOYSA-N 1 0 312.845 3.095 20 70 DGIDRO C[C@H](CC(=O)NCCCCC[NH+]1CCCCC1)c1ccncc1 ZINC000160543648 546061062 /nfs/dbraw/zinc/06/10/62/546061062.db2.gz MVFZFEVSSLUNLM-QGZVFWFLSA-N 1 0 317.477 3.348 20 70 DGIDRO CCN(C(=O)NC1CC=CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160723214 546061873 /nfs/dbraw/zinc/06/18/73/546061873.db2.gz JLKMMQUCBAHSFB-GOSISDBHSA-N 1 0 313.445 3.011 20 70 DGIDRO CCN(C(=O)NC1CC=CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160723343 546061987 /nfs/dbraw/zinc/06/19/87/546061987.db2.gz JLKMMQUCBAHSFB-SFHVURJKSA-N 1 0 313.445 3.011 20 70 DGIDRO CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161003646 546065160 /nfs/dbraw/zinc/06/51/60/546065160.db2.gz RXIKIHQCPJOYDT-NWDGAFQWSA-N 1 0 312.866 3.452 20 70 DGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2ccccc2-c2ccccc2)C1 ZINC000161168511 546065585 /nfs/dbraw/zinc/06/55/85/546065585.db2.gz INICZESVNJDFFK-IRXDYDNUSA-N 1 0 324.424 3.119 20 70 DGIDRO C[C@H](NC(=O)c1cc2ccc(F)cc2s1)[C@@H]1CCC[NH2+]C1 ZINC000161199491 546066093 /nfs/dbraw/zinc/06/60/93/546066093.db2.gz SXKNWFKXJQVZPR-CMPLNLGQSA-N 1 0 306.406 3.158 20 70 DGIDRO COc1ccc(CCCCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161277592 546067107 /nfs/dbraw/zinc/06/71/07/546067107.db2.gz YUILIYMGALFGRJ-DLBZAZTESA-N 1 0 318.461 3.184 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 ZINC000161384757 546068377 /nfs/dbraw/zinc/06/83/77/546068377.db2.gz DPZWLCHEJMHSAI-QZTJIDSGSA-N 1 0 324.424 3.265 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000161395636 546068561 /nfs/dbraw/zinc/06/85/61/546068561.db2.gz SOAIDLKNGBONNU-HZPDHXFCSA-N 1 0 310.397 3.479 20 70 DGIDRO Cc1ccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)cn1 ZINC000161506102 546070619 /nfs/dbraw/zinc/07/06/19/546070619.db2.gz QLRVYSCJIMPFJN-UHFFFAOYSA-N 1 0 304.438 3.024 20 70 DGIDRO Fc1ccc(C2(C[NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161307352 282975025 /nfs/dbraw/zinc/97/50/25/282975025.db2.gz AHFSIMGQGHHOEE-UHFFFAOYSA-N 1 0 305.393 3.133 20 70 DGIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000160203340 283472871 /nfs/dbraw/zinc/47/28/71/283472871.db2.gz AMBUNVXMJHWVTL-AWEZNQCLSA-N 1 0 312.438 3.077 20 70 DGIDRO CCCOCc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161312778 197484008 /nfs/dbraw/zinc/48/40/08/197484008.db2.gz SLSZFXFMEKNWOI-UHFFFAOYSA-N 1 0 319.445 3.389 20 70 DGIDRO CS[C@H](C)CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000160975809 197454048 /nfs/dbraw/zinc/45/40/48/197454048.db2.gz KVVWVAVQAMZFSI-CQSZACIVSA-N 1 0 306.475 3.405 20 70 DGIDRO Cc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)s1 ZINC000160924487 197450997 /nfs/dbraw/zinc/45/09/97/197450997.db2.gz NRXVZYKFUKGLTR-VIFPVBQESA-N 1 0 314.252 3.194 20 70 DGIDRO O=C([C@H]1CCC[NH2+]C1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881995 197446498 /nfs/dbraw/zinc/44/64/98/197446498.db2.gz DZUHFDUNBRBPEB-INIZCTEOSA-N 1 0 320.864 3.121 20 70 DGIDRO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)c1cccc(C(F)(F)F)c1 ZINC000160683289 197431157 /nfs/dbraw/zinc/43/11/57/197431157.db2.gz OSNXOWMXNHPFRK-KGLIPLIRSA-N 1 0 314.351 3.019 20 70 DGIDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c(C)n1 ZINC000160056070 197382700 /nfs/dbraw/zinc/38/27/00/197382700.db2.gz NLJKWFQRVGBVDM-GFCCVEGCSA-N 1 0 300.406 3.126 20 70 DGIDRO Cc1ncc([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)c(C)n1 ZINC000160119754 197386998 /nfs/dbraw/zinc/38/69/98/197386998.db2.gz WABGWUQXJDEYPG-ZDUSSCGKSA-N 1 0 316.424 3.015 20 70 DGIDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159966800 197377000 /nfs/dbraw/zinc/37/70/00/197377000.db2.gz YSXQKULCIQIWPG-ZFWWWQNUSA-N 1 0 305.418 3.284 20 70 DGIDRO COCCOc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000159869484 197370416 /nfs/dbraw/zinc/37/04/16/197370416.db2.gz QJSXSJIVYJCJDZ-UHFFFAOYSA-N 1 0 315.413 3.352 20 70 DGIDRO CC[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)c1cnn(C)c1 ZINC000159832684 197367425 /nfs/dbraw/zinc/36/74/25/197367425.db2.gz ISNPTOMDQXKLJP-IBGZPJMESA-N 1 0 323.444 3.464 20 70 DGIDRO C[C@H](C[NH2+][C@@H](C)c1cncc(F)c1)N1CCc2ccccc2C1 ZINC000159826304 197366972 /nfs/dbraw/zinc/36/69/72/197366972.db2.gz RNRZIINIOHOCLA-CABCVRRESA-N 1 0 313.420 3.318 20 70 DGIDRO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CCC[C@@H]1O ZINC000159809242 197366354 /nfs/dbraw/zinc/36/63/54/197366354.db2.gz YPAGSJZTCPWTFD-WFASDCNBSA-N 1 0 304.365 3.074 20 70 DGIDRO C[C@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159792380 197364329 /nfs/dbraw/zinc/36/43/29/197364329.db2.gz QCOPKTLMKZCRCB-OAHLLOKOSA-N 1 0 300.446 3.171 20 70 DGIDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159495553 197357830 /nfs/dbraw/zinc/35/78/30/197357830.db2.gz DNZXOKNILLDNRG-CQSZACIVSA-N 1 0 300.402 3.404 20 70 DGIDRO C[C@@H](CNC(=O)C[C@H](C)c1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000159372711 197349010 /nfs/dbraw/zinc/34/90/10/197349010.db2.gz RSOAMYPEFWVFNS-KBPBESRZSA-N 1 0 324.415 3.307 20 70 DGIDRO C[C@H](CNC(=O)C[C@@H](C)c1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000159372606 197348469 /nfs/dbraw/zinc/34/84/69/197348469.db2.gz RSOAMYPEFWVFNS-ZIAGYGMSSA-N 1 0 324.415 3.307 20 70 DGIDRO C[C@]1(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CC[NH2+]C1 ZINC000161073013 197462813 /nfs/dbraw/zinc/46/28/13/197462813.db2.gz GDESDZWMJZLNJD-FPOVZHCZSA-N 1 0 322.452 3.129 20 70 DGIDRO Cc1cccc([C@@H](C)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000159514690 400729807 /nfs/dbraw/zinc/72/98/07/400729807.db2.gz NDFSOBUBGWSKGY-MRXNPFEDSA-N 1 0 300.446 3.185 20 70 DGIDRO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3cccs3)CCCCC2)C1 ZINC000159511244 400729994 /nfs/dbraw/zinc/72/99/94/400729994.db2.gz NUHWIJIJJSABRZ-OAHLLOKOSA-N 1 0 320.502 3.408 20 70 DGIDRO CCc1ccc([C@H](C)CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000159495284 400730069 /nfs/dbraw/zinc/73/00/69/400730069.db2.gz CWAUEFQNWPPWPZ-BEFAXECRSA-N 1 0 314.473 3.343 20 70 DGIDRO Cc1cccc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000160662727 400734547 /nfs/dbraw/zinc/73/45/47/400734547.db2.gz HFEMPSZSERVXSS-KRWDZBQOSA-N 1 0 315.461 3.014 20 70 DGIDRO CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160651954 400734659 /nfs/dbraw/zinc/73/46/59/400734659.db2.gz JHHBJKAYMIBVIB-GOSISDBHSA-N 1 0 315.461 3.091 20 70 DGIDRO CCc1ccc(CC(=O)N[C@H](C)CCC[NH+](CC)CC)cc1 ZINC000161287350 400738922 /nfs/dbraw/zinc/73/89/22/400738922.db2.gz PMYPIPXHXFNHBX-MRXNPFEDSA-N 1 0 304.478 3.418 20 70 DGIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)C1CCOCC1 ZINC000159873168 228243551 /nfs/dbraw/zinc/24/35/51/228243551.db2.gz ISOXBHBVTCOBGS-CQSZACIVSA-N 1 0 313.445 3.394 20 70 DGIDRO c1cc2c(c([C@@H]3CCC[N@H+]3CCOCC3CC3)c1)OCCO2 ZINC000160397939 228246572 /nfs/dbraw/zinc/24/65/72/228246572.db2.gz ZCRMUEVSGYVSKG-INIZCTEOSA-N 1 0 303.402 3.021 20 70 DGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000161289247 276090397 /nfs/dbraw/zinc/09/03/97/276090397.db2.gz PHTATFVWLJISKH-IUODEOHRSA-N 1 0 324.852 3.400 20 70 DGIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000161186019 277284549 /nfs/dbraw/zinc/28/45/49/277284549.db2.gz VFIKEBGIPPQYBL-DGCLKSJQSA-N 1 0 312.866 3.031 20 70 DGIDRO CC[C@H](Sc1ccccc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159581884 281015879 /nfs/dbraw/zinc/01/58/79/281015879.db2.gz UBBBDNIJBDKUGH-HNNXBMFYSA-N 1 0 306.475 3.335 20 70 DGIDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Br)cc1F ZINC000217509729 432656386 /nfs/dbraw/zinc/65/63/86/432656386.db2.gz UZLGYAIZOBTSFB-JRKPZEMJSA-N 1 0 302.187 3.416 20 70 DGIDRO O=C(Cc1ccsc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000218499918 432658111 /nfs/dbraw/zinc/65/81/11/432658111.db2.gz YBFFXDYPXGZCAY-UHFFFAOYSA-N 1 0 314.454 3.025 20 70 DGIDRO C[NH+](C)CCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000159713321 432693603 /nfs/dbraw/zinc/69/36/03/432693603.db2.gz HVHUUCDMWCXWCN-UHFFFAOYSA-N 1 0 308.731 3.040 20 70 DGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000159789850 432695363 /nfs/dbraw/zinc/69/53/63/432695363.db2.gz BJROJJHFLLDOSR-QGZVFWFLSA-N 1 0 317.477 3.391 20 70 DGIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000159805602 432697942 /nfs/dbraw/zinc/69/79/42/432697942.db2.gz RUINZWWDPXINED-UHFFFAOYSA-N 1 0 314.433 3.410 20 70 DGIDRO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159889329 432698912 /nfs/dbraw/zinc/69/89/12/432698912.db2.gz XSUZQZVGGDQROS-HNNXBMFYSA-N 1 0 317.477 3.022 20 70 DGIDRO CC[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000159854035 432699939 /nfs/dbraw/zinc/69/99/39/432699939.db2.gz NMVXWXSXCYJKQB-QFBILLFUSA-N 1 0 313.445 3.394 20 70 DGIDRO CSCCCCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000159935840 432701259 /nfs/dbraw/zinc/70/12/59/432701259.db2.gz DZKOPIGNRCCCTK-HNNXBMFYSA-N 1 0 300.512 3.291 20 70 DGIDRO CCCC(=O)Nc1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000159896695 432702005 /nfs/dbraw/zinc/70/20/05/432702005.db2.gz MAZRCPZCSYBTFA-RLFYNMQTSA-N 1 0 317.477 3.244 20 70 DGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000160201776 432709524 /nfs/dbraw/zinc/70/95/24/432709524.db2.gz WBHVRWODABVNCB-CMPLNLGQSA-N 1 0 302.509 3.340 20 70 DGIDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc3c2OCCO3)n1 ZINC000160262715 432713372 /nfs/dbraw/zinc/71/33/72/432713372.db2.gz CVBVTKHGWKSVCC-QGZVFWFLSA-N 1 0 310.397 3.498 20 70 DGIDRO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H]3C(N)=O)ccc21 ZINC000160369040 432717750 /nfs/dbraw/zinc/71/77/50/432717750.db2.gz VYZYXYAPIJKTOE-IBGZPJMESA-N 1 0 321.424 3.264 20 70 DGIDRO Fc1ccc2oc(N3CCC[C@@H]3C[NH+]3CCCCC3)nc2c1 ZINC000160456488 432720635 /nfs/dbraw/zinc/72/06/35/432720635.db2.gz SAPHFZIPVYEMNA-CQSZACIVSA-N 1 0 303.381 3.422 20 70 DGIDRO CCOc1c(OC)cc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000160467567 432722503 /nfs/dbraw/zinc/72/25/03/432722503.db2.gz LWUDTCXPZAOUPC-AWEZNQCLSA-N 1 0 323.433 3.150 20 70 DGIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000160477923 432723116 /nfs/dbraw/zinc/72/31/16/432723116.db2.gz IOFDYESGTVXSIL-ZDUSSCGKSA-N 1 0 316.367 3.356 20 70 DGIDRO CCc1oc2ccccc2c1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC000159441228 432683411 /nfs/dbraw/zinc/68/34/11/432683411.db2.gz ULVSKAFSAZYNKJ-HNNXBMFYSA-N 1 0 302.418 3.294 20 70 DGIDRO CC[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(C)cc1 ZINC000159509747 432685345 /nfs/dbraw/zinc/68/53/45/432685345.db2.gz OUIHZBIOBNZLIE-DLBZAZTESA-N 1 0 302.462 3.337 20 70 DGIDRO CCS[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159489169 432685891 /nfs/dbraw/zinc/68/58/91/432685891.db2.gz PMSYQQZMICDHEG-HUUCEWRRSA-N 1 0 315.527 3.032 20 70 DGIDRO CC(C)[C@H](CNC(=O)[C@@H](C)[NH3+])Cc1ccc(Cl)cc1Cl ZINC000159532941 432687283 /nfs/dbraw/zinc/68/72/83/432687283.db2.gz DHEXJXLWDXELNT-PWSUYJOCSA-N 1 0 317.260 3.272 20 70 DGIDRO Brc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159597682 432689072 /nfs/dbraw/zinc/68/90/72/432689072.db2.gz YSXLMKNLBQZLQQ-KFWWJZLASA-N 1 0 322.246 3.496 20 70 DGIDRO Cc1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)s1 ZINC000160924581 432748996 /nfs/dbraw/zinc/74/89/96/432748996.db2.gz NRXVZYKFUKGLTR-SECBINFHSA-N 1 0 314.252 3.194 20 70 DGIDRO CC(C)OCC[NH+]1CCC(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC000160918710 432749645 /nfs/dbraw/zinc/74/96/45/432749645.db2.gz KZURNIUXAUPTMN-UHFFFAOYSA-N 1 0 324.509 3.208 20 70 DGIDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cccs1 ZINC000160933606 432749903 /nfs/dbraw/zinc/74/99/03/432749903.db2.gz KFMZZEVDSKSIFV-LBPRGKRZSA-N 1 0 309.456 3.144 20 70 DGIDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H]1CSCCS1 ZINC000160944208 432750537 /nfs/dbraw/zinc/75/05/37/432750537.db2.gz MCQPTPYMATWBCX-CQSZACIVSA-N 1 0 324.515 3.234 20 70 DGIDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H]1CSCCS1 ZINC000160944342 432750748 /nfs/dbraw/zinc/75/07/48/432750748.db2.gz MCQPTPYMATWBCX-AWEZNQCLSA-N 1 0 324.515 3.234 20 70 DGIDRO CCc1cc(=O)[nH]c(CN(C2CC2)[C@H]2CCc3ccccc32)n1 ZINC000160980740 432752468 /nfs/dbraw/zinc/75/24/68/432752468.db2.gz BEOMFOFFPTYSHX-KRWDZBQOSA-N 1 0 309.413 3.397 20 70 DGIDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000160988227 432752535 /nfs/dbraw/zinc/75/25/35/432752535.db2.gz SUPZFGJRBBDYLJ-NXEZZACHSA-N 1 0 301.217 3.170 20 70 DGIDRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000160992340 432752811 /nfs/dbraw/zinc/75/28/11/432752811.db2.gz ANFREVHDYNGIBT-WMLDXEAASA-N 1 0 306.450 3.116 20 70 DGIDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000160992221 432752958 /nfs/dbraw/zinc/75/29/58/432752958.db2.gz ANFREVHDYNGIBT-RHSMWYFYSA-N 1 0 306.450 3.116 20 70 DGIDRO CC(C)NC(=O)C[NH2+][C@@H](CCc1ccc(Cl)cc1)C(C)C ZINC000160985119 432753028 /nfs/dbraw/zinc/75/30/28/432753028.db2.gz JCIRVUKYCZRQHC-INIZCTEOSA-N 1 0 310.869 3.411 20 70 DGIDRO CCOc1ccc([C@@H](CC)[NH2+]CC(=O)NC(C)C)cc1OCC ZINC000160989746 432753177 /nfs/dbraw/zinc/75/31/77/432753177.db2.gz NYDCQWUVAAFZFO-OAHLLOKOSA-N 1 0 322.449 3.049 20 70 DGIDRO CC(C)[C@@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014006 432754282 /nfs/dbraw/zinc/75/42/82/432754282.db2.gz RYMYORVAPYQTSR-ZSZQSSIHSA-N 1 0 318.461 3.227 20 70 DGIDRO CCc1ccc(NC(=O)[C@@H](C)N(CC)Cc2ccccn2)cc1 ZINC000161118668 432761068 /nfs/dbraw/zinc/76/10/68/432761068.db2.gz RDRDPIONMJOMHH-OAHLLOKOSA-N 1 0 311.429 3.493 20 70 DGIDRO CCc1ccc(NC(=O)[C@H](C)N(CC)Cc2ccccn2)cc1 ZINC000161118786 432761594 /nfs/dbraw/zinc/76/15/94/432761594.db2.gz RDRDPIONMJOMHH-HNNXBMFYSA-N 1 0 311.429 3.493 20 70 DGIDRO c1ccc2c(c1)CC[C@@H]2[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161145014 432761997 /nfs/dbraw/zinc/76/19/97/432761997.db2.gz DRTBGEBYRBQGCH-KRWDZBQOSA-N 1 0 310.445 3.214 20 70 DGIDRO CCC[N@H+](CCO)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000161207766 432766305 /nfs/dbraw/zinc/76/63/05/432766305.db2.gz JHWPXKJUFNEPQS-UHFFFAOYSA-N 1 0 315.461 3.061 20 70 DGIDRO Cc1ccccc1OCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000161351388 432774277 /nfs/dbraw/zinc/77/42/77/432774277.db2.gz LLQHPPURTSXDCL-IVZQSRNASA-N 1 0 317.454 3.462 20 70 DGIDRO CC1(C)C[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)c2ccccc2O1 ZINC000161395627 432776714 /nfs/dbraw/zinc/77/67/14/432776714.db2.gz YOXHWLFNTVVLOQ-NVXWUHKLSA-N 1 0 310.397 3.105 20 70 DGIDRO C[C@@H](CNC(=O)CCCCCC[NH3+])Oc1cccc(Cl)c1 ZINC000161396891 432777003 /nfs/dbraw/zinc/77/70/03/432777003.db2.gz GROOJXVRQKBUPP-ZDUSSCGKSA-N 1 0 312.841 3.133 20 70 DGIDRO CC(C)(C[NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1 ZINC000161425127 432777359 /nfs/dbraw/zinc/77/73/59/432777359.db2.gz UNYAHTNXBFUUKZ-UHFFFAOYSA-N 1 0 307.409 3.379 20 70 DGIDRO CC(=O)NC1CCC([NH2+]CCCc2c[nH]c3ccccc23)CC1 ZINC000161443073 432779344 /nfs/dbraw/zinc/77/93/44/432779344.db2.gz ZAKJPMUWDAMBGT-UHFFFAOYSA-N 1 0 313.445 3.137 20 70 DGIDRO CC1CC[NH+](C2CCC(NC(=O)C[C@@H]3CCCCO3)CC2)CC1 ZINC000161469462 432780942 /nfs/dbraw/zinc/78/09/42/432780942.db2.gz OVCQZNQYNZTHOY-ABHNRTSZSA-N 1 0 322.493 3.105 20 70 DGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000160563273 432728045 /nfs/dbraw/zinc/72/80/45/432728045.db2.gz QEMYQIINHVQJJP-KGLIPLIRSA-N 1 0 322.449 3.399 20 70 DGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000160563393 432728957 /nfs/dbraw/zinc/72/89/57/432728957.db2.gz QEMYQIINHVQJJP-KBPBESRZSA-N 1 0 322.449 3.399 20 70 DGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000160624323 432731523 /nfs/dbraw/zinc/73/15/23/432731523.db2.gz QIYDDXHNKCKBHT-ZDUSSCGKSA-N 1 0 315.392 3.211 20 70 DGIDRO CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000160638162 432732532 /nfs/dbraw/zinc/73/25/32/432732532.db2.gz OOTNDTLAEVZVFR-IKGGRYGDSA-N 1 0 304.409 3.014 20 70 DGIDRO Cn1ccc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1 ZINC000161479341 432781814 /nfs/dbraw/zinc/78/18/14/432781814.db2.gz NGHRBLBMOPVOBR-UHFFFAOYSA-N 1 0 317.408 3.403 20 70 DGIDRO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160761677 432738218 /nfs/dbraw/zinc/73/82/18/432738218.db2.gz VJCUTERIUXFZFZ-UHFFFAOYSA-N 1 0 312.816 3.216 20 70 DGIDRO COc1c(F)cc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000160739273 432739205 /nfs/dbraw/zinc/73/92/05/432739205.db2.gz JOBQIEAWYDFFGH-UHFFFAOYSA-N 1 0 320.339 3.287 20 70 DGIDRO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CCCCCC1 ZINC000160822952 432744960 /nfs/dbraw/zinc/74/49/60/432744960.db2.gz GNFKBNOZCSGMBR-HNNXBMFYSA-N 1 0 307.482 3.368 20 70 DGIDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCSC(C)(C)C)C1 ZINC000160768765 290171761 /nfs/dbraw/zinc/17/17/61/290171761.db2.gz KKVLVVLIFJCUDU-LSDHHAIUSA-N 1 0 312.523 3.241 20 70 DGIDRO CN(Cc1ncc(-c2ccc(Cl)cc2)o1)[C@H](C[NH3+])C1CC1 ZINC000160077815 292806950 /nfs/dbraw/zinc/80/69/50/292806950.db2.gz IVFRTYZHSDTHKP-CQSZACIVSA-N 1 0 305.809 3.164 20 70 DGIDRO O=C(N[C@@H]1C=CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160270592 292811599 /nfs/dbraw/zinc/81/15/99/292811599.db2.gz FDCIZOJOQUFSRI-GOSISDBHSA-N 1 0 319.493 3.393 20 70 DGIDRO CCCCc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160530824 292816272 /nfs/dbraw/zinc/81/62/72/292816272.db2.gz ZHKDICRMWZQCKV-GFCCVEGCSA-N 1 0 316.367 3.358 20 70 DGIDRO CC(C)c1cnc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)s1 ZINC000160896944 292823758 /nfs/dbraw/zinc/82/37/58/292823758.db2.gz MBHJXNBAVJCBTJ-CQSZACIVSA-N 1 0 301.415 3.092 20 70 DGIDRO CCC[C@@]1(C)CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000160933201 292824872 /nfs/dbraw/zinc/82/48/72/292824872.db2.gz ZHLXNHBWFXTNND-HKUYNNGSSA-N 1 0 300.446 3.130 20 70 DGIDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cc1F ZINC000161121320 292828626 /nfs/dbraw/zinc/82/86/26/292828626.db2.gz MEDFFQOYRVLNCA-GFCCVEGCSA-N 1 0 317.360 3.456 20 70 DGIDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000161292862 292832857 /nfs/dbraw/zinc/83/28/57/292832857.db2.gz SCOVOFPIBLQGEZ-HRCADAONSA-N 1 0 304.478 3.336 20 70 DGIDRO [NH3+]C1(CNC(=O)CCCc2ccc(Cl)cc2)CCCCC1 ZINC000159526946 534534470 /nfs/dbraw/zinc/53/44/70/534534470.db2.gz CBLIYPWCWJOCKV-UHFFFAOYSA-N 1 0 308.853 3.441 20 70 DGIDRO CCC(CC)c1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)on1 ZINC000160361817 521631266 /nfs/dbraw/zinc/63/12/66/521631266.db2.gz NNMAYVVAIQCQGM-ZDUSSCGKSA-N 1 0 307.438 3.182 20 70 DGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000160390980 525698339 /nfs/dbraw/zinc/69/83/39/525698339.db2.gz SJQBBAIBVPUOSJ-KOLCDFICSA-N 1 0 323.380 3.192 20 70 DGIDRO CS[C@@H](C)CC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000160369224 525789112 /nfs/dbraw/zinc/78/91/12/525789112.db2.gz XTDMLYDTSMLEHD-ZDUSSCGKSA-N 1 0 324.465 3.048 20 70 DGIDRO CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2sccc2C)CC1 ZINC000159790934 528200738 /nfs/dbraw/zinc/20/07/38/528200738.db2.gz IRNBPEHQADZMLQ-HUUCEWRRSA-N 1 0 306.475 3.151 20 70 DGIDRO CCCc1ccc(C(=O)CCC(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160526420 528614789 /nfs/dbraw/zinc/61/47/89/528614789.db2.gz REKZYKTWONCPJS-UHFFFAOYSA-N 1 0 318.461 3.236 20 70 DGIDRO CCC(CC)(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159954877 528616656 /nfs/dbraw/zinc/61/66/56/528616656.db2.gz NVUSJJGEJZDJAY-CALCHBBNSA-N 1 0 300.446 3.097 20 70 DGIDRO CCC(C)(CC)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000159423828 546053592 /nfs/dbraw/zinc/05/35/92/546053592.db2.gz PBHLUGBAZMJRAU-UHFFFAOYSA-N 1 0 303.450 3.241 20 70 DGIDRO C[C@@H]1SCCN(C(=O)c2ccc(C[NH3+])o2)[C@H]1c1ccccc1 ZINC000159680529 546055343 /nfs/dbraw/zinc/05/53/43/546055343.db2.gz YPYAXSIWTFCXMK-BLLLJJGKSA-N 1 0 316.426 3.057 20 70 DGIDRO Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160765834 546062437 /nfs/dbraw/zinc/06/24/37/546062437.db2.gz YNNRMZUYDHDBQI-KBPBESRZSA-N 1 0 315.442 3.118 20 70 DGIDRO C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160863111 546062794 /nfs/dbraw/zinc/06/27/94/546062794.db2.gz MTRKMYVLFJOOHC-SRVKXCTJSA-N 1 0 312.866 3.207 20 70 DGIDRO Cc1cc(O[C@H](C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1C(C)C ZINC000160893770 546063946 /nfs/dbraw/zinc/06/39/46/546063946.db2.gz KTVIXVXYNLURJY-OWCLPIDISA-N 1 0 318.461 3.272 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)CCCOc2ccc(C)cc2)CC1 ZINC000161058855 546064775 /nfs/dbraw/zinc/06/47/75/546064775.db2.gz ASKFLSVXTIWBDM-UHFFFAOYSA-N 1 0 318.461 3.002 20 70 DGIDRO CC[NH2+]CC1CCN(C(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000161128010 546065707 /nfs/dbraw/zinc/06/57/07/546065707.db2.gz AVQQOTZQWZKWDL-UHFFFAOYSA-N 1 0 304.365 3.034 20 70 DGIDRO Cc1ccc(SCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000161132375 546065822 /nfs/dbraw/zinc/06/58/22/546065822.db2.gz BRXDJNLOJLLBJN-CABCVRRESA-N 1 0 306.475 3.172 20 70 DGIDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2ccc(F)cc2s1 ZINC000161201065 546066054 /nfs/dbraw/zinc/06/60/54/546066054.db2.gz MJRSQOGVEZPLTN-MFKMUULPSA-N 1 0 306.406 3.382 20 70 DGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CCc2ccccc2)C1 ZINC000161175762 546066265 /nfs/dbraw/zinc/06/62/65/546066265.db2.gz GWTMNNOFSZCVOZ-RTBURBONSA-N 1 0 322.452 3.472 20 70 DGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)C1 ZINC000161384549 546067760 /nfs/dbraw/zinc/06/77/60/546067760.db2.gz DPZWLCHEJMHSAI-ZWKOTPCHSA-N 1 0 324.424 3.265 20 70 DGIDRO Cc1ccc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000161509612 546069953 /nfs/dbraw/zinc/06/99/53/546069953.db2.gz HTOHERWAPRRJSC-GOSISDBHSA-N 1 0 324.428 3.349 20 70 DGIDRO Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000161505670 546070242 /nfs/dbraw/zinc/07/02/42/546070242.db2.gz AHKFKDLKKIUQKM-AWEZNQCLSA-N 1 0 304.438 3.024 20 70 DGIDRO