smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000020970032 195257416 /nfs/dbraw/zinc/25/74/16/195257416.db2.gz LMQLLMNBJRXFLE-SANMLTNESA-N 1 2 451.574 5.592 40 10 JKCBLO COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1 ZINC000004362788 525681923 /nfs/dbraw/zinc/68/19/23/525681923.db2.gz KSVCKYTZBLWIPE-UHFFFAOYSA-N 1 2 497.001 6.051 40 10 JKCBLO COc1ccccc1CN1CCC[N@H+](Cc2ccccc2OC)C1c1c(O)ccc2ccccc21 ZINC000019326410 556341831 /nfs/dbraw/zinc/34/18/31/556341831.db2.gz NBUOLMUUEUJMBW-UHFFFAOYSA-N 1 2 468.597 5.969 40 10 JKCBLO COc1ccccc1CN1CCC[N@@H+](Cc2ccccc2OC)C1c1c(O)ccc2ccccc21 ZINC000019326410 556341832 /nfs/dbraw/zinc/34/18/32/556341832.db2.gz NBUOLMUUEUJMBW-UHFFFAOYSA-N 1 2 468.597 5.969 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223100124 569899433 /nfs/dbraw/zinc/89/94/33/569899433.db2.gz SHQQMWRWWNTODQ-KAYWLYCHSA-N 1 2 473.690 5.860 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223348732 569908157 /nfs/dbraw/zinc/90/81/57/569908157.db2.gz MENYJAUYBDVWCY-IZZNHLLZSA-N 1 2 471.630 5.321 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223463648 569912188 /nfs/dbraw/zinc/91/21/88/569912188.db2.gz XAJMSYHEYKLJOB-SXOMAYOGSA-N 1 2 482.657 5.123 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223499756 569913679 /nfs/dbraw/zinc/91/36/79/569913679.db2.gz WRCDQASSTCNECD-SXOMAYOGSA-N 1 2 482.657 5.123 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223539285 569915157 /nfs/dbraw/zinc/91/51/57/569915157.db2.gz OHRBYQSJHLBMRC-RRPNLBNLSA-N 1 2 482.657 5.123 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224168670 569935178 /nfs/dbraw/zinc/93/51/78/569935178.db2.gz JFDVBJULNJXQNE-KAYWLYCHSA-N 1 2 467.642 5.732 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224402287 569943408 /nfs/dbraw/zinc/94/34/08/569943408.db2.gz CYHLMMMZGJABEC-SVBPBHIXSA-N 1 2 485.632 5.871 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224402193 569943437 /nfs/dbraw/zinc/94/34/37/569943437.db2.gz CYHLMMMZGJABEC-SXOMAYOGSA-N 1 2 485.632 5.871 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224435337 569944482 /nfs/dbraw/zinc/94/44/82/569944482.db2.gz CAKOXMYBTZNNHZ-SXOMAYOGSA-N 1 2 485.632 5.871 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224605850 569950377 /nfs/dbraw/zinc/95/03/77/569950377.db2.gz NYGBKXWNLFGVDM-RRPNLBNLSA-N 1 2 483.641 5.438 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224605805 569950429 /nfs/dbraw/zinc/95/04/29/569950429.db2.gz NYGBKXWNLFGVDM-SXOMAYOGSA-N 1 2 483.641 5.438 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224901510 569962511 /nfs/dbraw/zinc/96/25/11/569962511.db2.gz COGWSAQAGFCAJF-NSOVKSMOSA-N 1 2 499.659 6.180 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225017708 569969454 /nfs/dbraw/zinc/96/94/54/569969454.db2.gz FNJYDBMETCLBRU-FTJBHMTQSA-N 1 2 459.663 5.470 40 10 JKCBLO CC[N@H+](CCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(C)cc1 ZINC000225734537 570018635 /nfs/dbraw/zinc/01/86/35/570018635.db2.gz SFQYGWHVMBIUMP-UHFFFAOYSA-N 1 2 487.713 6.727 40 10 JKCBLO CC[N@@H+](CCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(C)cc1 ZINC000225734537 570018636 /nfs/dbraw/zinc/01/86/36/570018636.db2.gz SFQYGWHVMBIUMP-UHFFFAOYSA-N 1 2 487.713 6.727 40 10 JKCBLO Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408874270 570060668 /nfs/dbraw/zinc/06/06/68/570060668.db2.gz ZRBICDZSUBCMDA-UCQKPKSFSA-N 1 2 466.006 6.050 40 10 JKCBLO C[NH+](C)c1ccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408953490 570084571 /nfs/dbraw/zinc/08/45/71/570084571.db2.gz PYEVFZVKWXMPFE-UHFFFAOYSA-N 1 2 492.604 5.292 40 10 JKCBLO Cc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409033330 570106163 /nfs/dbraw/zinc/10/61/63/570106163.db2.gz LMAOUHITFSKQCN-WOJGMQOQSA-N 1 2 488.460 5.662 40 10 JKCBLO Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409098737 570127601 /nfs/dbraw/zinc/12/76/01/570127601.db2.gz PBNNQLSPFGDQOC-CPNJWEJPSA-N 1 2 497.382 5.133 40 10 JKCBLO CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(N(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000020970421 195257657 /nfs/dbraw/zinc/25/76/57/195257657.db2.gz FVQNWLIMDQRUPK-XMMPIXPASA-N 1 2 457.965 5.683 40 10 JKCBLO CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(N(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000020970425 195257751 /nfs/dbraw/zinc/25/77/51/195257751.db2.gz FVQNWLIMDQRUPK-DEOSSOPVSA-N 1 2 457.965 5.683 40 10 JKCBLO Cc1ccc(COc2ccccc2/C=C2\SC(N3CC[NH+](Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000009187883 554960447 /nfs/dbraw/zinc/96/04/47/554960447.db2.gz IQJHAIBQNCLXKL-DIBXZPPDSA-N 1 2 483.637 5.362 40 10 JKCBLO CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(O)c(C[NH+]3CCCC3)c21 ZINC000015079889 555872168 /nfs/dbraw/zinc/87/21/68/555872168.db2.gz TWSLIANJMQHEAR-UHFFFAOYSA-N 1 2 471.395 5.239 40 10 JKCBLO CCOC(=O)c1c(CSc2ccccc2)oc2cc(Br)c(O)c(C[NH+]3CCCC3)c21 ZINC000015079570 555872331 /nfs/dbraw/zinc/87/23/31/555872331.db2.gz IWHUQXQKTUSSQP-UHFFFAOYSA-N 1 2 490.419 5.966 40 10 JKCBLO C[N@H+](Cc1cc(Br)cc(Br)c1O)Cc1c(O)ccc2ccccc21 ZINC000031666701 556401495 /nfs/dbraw/zinc/40/14/95/556401495.db2.gz MDGLBXLWXXWTIJ-UHFFFAOYSA-N 1 2 451.158 5.408 40 10 in-vitro JKCBLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)Cc1c(O)ccc2ccccc21 ZINC000031666701 556401499 /nfs/dbraw/zinc/40/14/99/556401499.db2.gz MDGLBXLWXXWTIJ-UHFFFAOYSA-N 1 2 451.158 5.408 40 10 in-vitro JKCBLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)Cn1c2ccccc2c2ccccc21 ZINC000031666706 556401524 /nfs/dbraw/zinc/40/15/24/556401524.db2.gz VNHHQSIGAHIEJU-UHFFFAOYSA-N 1 2 474.196 6.115 40 10 JKCBLO C[N@H+](Cc1cc(Br)cc(Br)c1O)Cn1c2ccccc2c2ccccc21 ZINC000031666706 556401527 /nfs/dbraw/zinc/40/15/27/556401527.db2.gz VNHHQSIGAHIEJU-UHFFFAOYSA-N 1 2 474.196 6.115 40 10 JKCBLO CC(C)CN(CC(C)C)c1ccc([C@@H](Nc2cccc[nH+]2)n2nnc3ccccc32)cc1[N+](=O)[O-] ZINC000059488682 569605657 /nfs/dbraw/zinc/60/56/57/569605657.db2.gz BKLAKHJEMKAFCU-SANMLTNESA-N 1 2 473.581 5.512 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223100242 569899447 /nfs/dbraw/zinc/89/94/47/569899447.db2.gz SHQQMWRWWNTODQ-RRPNLBNLSA-N 1 2 473.690 5.860 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223348683 569908192 /nfs/dbraw/zinc/90/81/92/569908192.db2.gz MENYJAUYBDVWCY-FTJBHMTQSA-N 1 2 471.630 5.321 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223387709 569909565 /nfs/dbraw/zinc/90/95/65/569909565.db2.gz PPZFEUSZCLTASC-WUFINQPMSA-N 1 2 481.669 5.728 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223539341 569915124 /nfs/dbraw/zinc/91/51/24/569915124.db2.gz OHRBYQSJHLBMRC-SVBPBHIXSA-N 1 2 482.657 5.123 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223539187 569915145 /nfs/dbraw/zinc/91/51/45/569915145.db2.gz OHRBYQSJHLBMRC-KAYWLYCHSA-N 1 2 482.657 5.123 40 10 JKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223762912 569922549 /nfs/dbraw/zinc/92/25/49/569922549.db2.gz MAHORCFWBJGGNB-WUFINQPMSA-N 1 2 497.668 5.741 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223860726 569925402 /nfs/dbraw/zinc/92/54/02/569925402.db2.gz OZJHSWLGXILRRV-KAYWLYCHSA-N 1 2 483.641 5.438 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224237744 569937601 /nfs/dbraw/zinc/93/76/01/569937601.db2.gz MPTWIVACPZDASI-WUFINQPMSA-N 1 2 481.669 6.041 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224303974 569939891 /nfs/dbraw/zinc/93/98/91/569939891.db2.gz ULAQSXYNUOGALG-FQLXRVMXSA-N 1 2 495.696 6.349 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224435289 569944466 /nfs/dbraw/zinc/94/44/66/569944466.db2.gz CAKOXMYBTZNNHZ-KAYWLYCHSA-N 1 2 485.632 5.871 40 10 JKCBLO CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc([NH+](CC)CC)cc4)c3C)C2=O)cc1 ZINC000408983098 570091327 /nfs/dbraw/zinc/09/13/27/570091327.db2.gz KKNCSLXRWLOHSO-ITYLOYPMSA-N 1 2 484.600 5.169 40 10 JKCBLO CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(N(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000021005513 195265631 /nfs/dbraw/zinc/26/56/31/195265631.db2.gz MERYQODWYTWNAP-XMMPIXPASA-N 1 2 457.965 5.683 40 10 JKCBLO CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(N(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000021005514 195265822 /nfs/dbraw/zinc/26/58/22/195265822.db2.gz MERYQODWYTWNAP-DEOSSOPVSA-N 1 2 457.965 5.683 40 10 JKCBLO COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c2c1 ZINC000004362789 525681756 /nfs/dbraw/zinc/68/17/56/525681756.db2.gz BBOGGVCRUGPBQD-UHFFFAOYSA-N 1 2 490.972 5.989 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223348786 569908201 /nfs/dbraw/zinc/90/82/01/569908201.db2.gz MENYJAUYBDVWCY-UIOOFZCWSA-N 1 2 471.630 5.321 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224270381 569938726 /nfs/dbraw/zinc/93/87/26/569938726.db2.gz VTBKELFVBABMJH-FQLXRVMXSA-N 1 2 495.696 6.349 40 10 JKCBLO CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000224338147 569941119 /nfs/dbraw/zinc/94/11/19/569941119.db2.gz BYBXJNNNESEKIE-WDYNHAJCSA-N 1 2 495.696 6.295 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224435418 569944477 /nfs/dbraw/zinc/94/44/77/569944477.db2.gz CAKOXMYBTZNNHZ-SVBPBHIXSA-N 1 2 485.632 5.871 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224435365 569944485 /nfs/dbraw/zinc/94/44/85/569944485.db2.gz CAKOXMYBTZNNHZ-RRPNLBNLSA-N 1 2 485.632 5.871 40 10 JKCBLO COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c1 ZINC000224534444 569947528 /nfs/dbraw/zinc/94/75/28/569947528.db2.gz WHTVRHRBFXQCNS-WUFINQPMSA-N 1 2 497.668 5.741 40 10 JKCBLO COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c1 ZINC000224534395 569947551 /nfs/dbraw/zinc/94/75/51/569947551.db2.gz WHTVRHRBFXQCNS-IZLXSDGUSA-N 1 2 497.668 5.741 40 10 JKCBLO COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000224569670 569948899 /nfs/dbraw/zinc/94/88/99/569948899.db2.gz VARHERPOLRXHFM-IZLXSDGUSA-N 1 2 497.668 5.741 40 10 JKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000408843305 570054006 /nfs/dbraw/zinc/05/40/06/570054006.db2.gz FHUWQLZJWISMIO-YZSQISJMSA-N 1 2 484.600 5.224 40 10 JKCBLO Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409122867 570136455 /nfs/dbraw/zinc/13/64/55/570136455.db2.gz CNNCEXHJVPBQAF-XIEYBQDHSA-N 1 2 459.615 5.829 40 10 JKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000409247511 570184815 /nfs/dbraw/zinc/18/48/15/570184815.db2.gz HWRSCDURHXOMNA-JJIBRWJFSA-N 1 2 486.641 5.080 40 10 JKCBLO O=C1C=CC(=[NH+]Nc2ccc(Cl)cc2Cl)C=C1c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000409262562 570187760 /nfs/dbraw/zinc/18/77/60/570187760.db2.gz FVEZABPTOXBHLN-DQSJHHFOSA-N 1 2 471.369 7.371 40 10 JKCBLO CC1=NN(c2ccc(Br)c(C)c2)C(=O)C1=C[NH2+]Nc1ccc(Br)cc1C ZINC000408536749 570190638 /nfs/dbraw/zinc/19/06/38/570190638.db2.gz XSKALQDNDFEDAQ-YBEGLDIGSA-N 1 2 478.188 5.052 40 10 JKCBLO CC(C)(C)c1cc(Cl)c(O)c(C[NH+](Cc2cc(C(C)(C)C)cc(Cl)c2O)C2CCCCC2)c1 ZINC000001594600 194128913 /nfs/dbraw/zinc/12/89/13/194128913.db2.gz NUQSGOOJHNLWLR-UHFFFAOYSA-N 1 2 492.531 8.335 40 10 JKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 ZINC000059136234 195391509 /nfs/dbraw/zinc/39/15/09/195391509.db2.gz XRVBIDAYAIWDCW-CJLVFECKSA-N 1 2 490.604 5.751 40 10 JKCBLO CC[NH+](CC)Cc1cc(C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O ZINC000017061429 556214796 /nfs/dbraw/zinc/21/47/96/556214796.db2.gz AARWOQDVALPBFX-MHZLTWQESA-N 1 2 465.615 5.330 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223463769 569912179 /nfs/dbraw/zinc/91/21/79/569912179.db2.gz XAJMSYHEYKLJOB-SVBPBHIXSA-N 1 2 482.657 5.123 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223499813 569913729 /nfs/dbraw/zinc/91/37/29/569913729.db2.gz WRCDQASSTCNECD-RRPNLBNLSA-N 1 2 482.657 5.123 40 10 JKCBLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223762791 569922462 /nfs/dbraw/zinc/92/24/62/569922462.db2.gz MAHORCFWBJGGNB-NSOVKSMOSA-N 1 2 497.668 5.741 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223860899 569925391 /nfs/dbraw/zinc/92/53/91/569925391.db2.gz OZJHSWLGXILRRV-SVBPBHIXSA-N 1 2 483.641 5.438 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223860779 569925428 /nfs/dbraw/zinc/92/54/28/569925428.db2.gz OZJHSWLGXILRRV-SXOMAYOGSA-N 1 2 483.641 5.438 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224168849 569935170 /nfs/dbraw/zinc/93/51/70/569935170.db2.gz JFDVBJULNJXQNE-SVBPBHIXSA-N 1 2 467.642 5.732 40 10 JKCBLO CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000224338226 569941114 /nfs/dbraw/zinc/94/11/14/569941114.db2.gz BYBXJNNNESEKIE-FQLXRVMXSA-N 1 2 495.696 6.295 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224402231 569943443 /nfs/dbraw/zinc/94/34/43/569943443.db2.gz CYHLMMMZGJABEC-RRPNLBNLSA-N 1 2 485.632 5.871 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224605897 569950426 /nfs/dbraw/zinc/95/04/26/569950426.db2.gz NYGBKXWNLFGVDM-SVBPBHIXSA-N 1 2 483.641 5.438 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224901424 569962509 /nfs/dbraw/zinc/96/25/09/569962509.db2.gz COGWSAQAGFCAJF-IZLXSDGUSA-N 1 2 499.659 6.180 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225017742 569969473 /nfs/dbraw/zinc/96/94/73/569969473.db2.gz FNJYDBMETCLBRU-IZZNHLLZSA-N 1 2 459.663 5.470 40 10 JKCBLO CC[NH+](CC)Cc1cc(C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O ZINC000001558461 194127724 /nfs/dbraw/zinc/12/77/24/194127724.db2.gz AARWOQDVALPBFX-HHHXNRCGSA-N 1 2 465.615 5.330 40 10 JKCBLO CCN(CC)c1ccc(C[N@H+](CC(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1 ZINC000001706401 553983982 /nfs/dbraw/zinc/98/39/82/553983982.db2.gz UESJKJPQJYLSQP-UHFFFAOYSA-N 1 2 455.429 6.725 40 10 JKCBLO CCN(CC)c1ccc(C[N@@H+](CC(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1 ZINC000001706401 553983986 /nfs/dbraw/zinc/98/39/86/553983986.db2.gz UESJKJPQJYLSQP-UHFFFAOYSA-N 1 2 455.429 6.725 40 10 JKCBLO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc31)C2 ZINC000002667128 554278713 /nfs/dbraw/zinc/27/87/13/554278713.db2.gz RIUQYEWZDJLFRW-SOKVYYICSA-N 1 2 460.599 6.176 40 10 JKCBLO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc31)C2 ZINC000002667128 554278716 /nfs/dbraw/zinc/27/87/16/554278716.db2.gz RIUQYEWZDJLFRW-SOKVYYICSA-N 1 2 460.599 6.176 40 10 JKCBLO COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2[nH+]c2c(OC)cccc12 ZINC000005008998 554485456 /nfs/dbraw/zinc/48/54/56/554485456.db2.gz YOGYLHMRTKESGK-UHFFFAOYSA-N 1 2 457.939 5.174 40 10 JKCBLO Cc1ccc(COc2ccccc2/C=C2/SC(N3CC[NH+](Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000015307012 555895491 /nfs/dbraw/zinc/89/54/91/555895491.db2.gz IQJHAIBQNCLXKL-ZXVVBBHZSA-N 1 2 483.637 5.362 40 10 JKCBLO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)cc3)C2c2c(O)ccc3ccccc32)cc1 ZINC000019326429 556341799 /nfs/dbraw/zinc/34/17/99/556341799.db2.gz UQKDNUZBZQVNTC-UHFFFAOYSA-N 1 2 468.597 5.969 40 10 JKCBLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)cc3)C2c2c(O)ccc3ccccc32)cc1 ZINC000019326429 556341802 /nfs/dbraw/zinc/34/18/02/556341802.db2.gz UQKDNUZBZQVNTC-UHFFFAOYSA-N 1 2 468.597 5.969 40 10 JKCBLO CC(C)CN(CC(C)C)c1ccc([C@H](Nc2cccc[nH+]2)n2nnc3ccccc32)cc1[N+](=O)[O-] ZINC000059488683 569605540 /nfs/dbraw/zinc/60/55/40/569605540.db2.gz BKLAKHJEMKAFCU-AREMUKBSSA-N 1 2 473.581 5.512 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223387645 569909521 /nfs/dbraw/zinc/90/95/21/569909521.db2.gz PPZFEUSZCLTASC-IZLXSDGUSA-N 1 2 481.669 5.728 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223463588 569912172 /nfs/dbraw/zinc/91/21/72/569912172.db2.gz XAJMSYHEYKLJOB-KAYWLYCHSA-N 1 2 482.657 5.123 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223463718 569912197 /nfs/dbraw/zinc/91/21/97/569912197.db2.gz XAJMSYHEYKLJOB-RRPNLBNLSA-N 1 2 482.657 5.123 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223539244 569915131 /nfs/dbraw/zinc/91/51/31/569915131.db2.gz OHRBYQSJHLBMRC-SXOMAYOGSA-N 1 2 482.657 5.123 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224205382 569936450 /nfs/dbraw/zinc/93/64/50/569936450.db2.gz HWZNFBDLZPZXKL-VSGBNLITSA-N 1 2 481.669 6.041 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224205431 569936460 /nfs/dbraw/zinc/93/64/60/569936460.db2.gz HWZNFBDLZPZXKL-IZLXSDGUSA-N 1 2 481.669 6.041 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224237790 569937599 /nfs/dbraw/zinc/93/75/99/569937599.db2.gz MPTWIVACPZDASI-NSOVKSMOSA-N 1 2 481.669 6.041 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224237661 569937614 /nfs/dbraw/zinc/93/76/14/569937614.db2.gz MPTWIVACPZDASI-VSGBNLITSA-N 1 2 481.669 6.041 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224304077 569939898 /nfs/dbraw/zinc/93/98/98/569939898.db2.gz ULAQSXYNUOGALG-URLMMPGGSA-N 1 2 495.696 6.349 40 10 JKCBLO CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000224338178 569941132 /nfs/dbraw/zinc/94/11/32/569941132.db2.gz BYBXJNNNESEKIE-URLMMPGGSA-N 1 2 495.696 6.295 40 10 JKCBLO COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000224569718 569948917 /nfs/dbraw/zinc/94/89/17/569948917.db2.gz VARHERPOLRXHFM-WUFINQPMSA-N 1 2 497.668 5.741 40 10 JKCBLO COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000224569761 569948957 /nfs/dbraw/zinc/94/89/57/569948957.db2.gz VARHERPOLRXHFM-VSGBNLITSA-N 1 2 497.668 5.741 40 10 JKCBLO C[NH+](C)c1ccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408848524 570055108 /nfs/dbraw/zinc/05/51/08/570055108.db2.gz QWLHHGDEGZRETA-UHFFFAOYSA-N 1 2 476.536 5.127 40 10 JKCBLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(N(CC)CC)cc1 ZINC000261364757 570168701 /nfs/dbraw/zinc/16/87/01/570168701.db2.gz NNAXVZSQTWRVTK-SANMLTNESA-O 1 2 492.669 5.179 40 10 JKCBLO Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409220650 570174173 /nfs/dbraw/zinc/17/41/73/570174173.db2.gz CSOGECVTBNZEEN-PCLIKHOPSA-N 1 2 486.641 5.115 40 10 JKCBLO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c(O)ccc3cc(-c4ccc5ccccc5n4)c(=O)oc31)C2 ZINC000001799161 194142395 /nfs/dbraw/zinc/14/23/95/194142395.db2.gz VEFJOPJDVUJAHM-WRONEBCDSA-N 1 2 454.570 6.114 40 10 JKCBLO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c(O)ccc3cc(-c4ccc5ccccc5n4)c(=O)oc31)C2 ZINC000001799161 194142397 /nfs/dbraw/zinc/14/23/97/194142397.db2.gz VEFJOPJDVUJAHM-WRONEBCDSA-N 1 2 454.570 6.114 40 10 JKCBLO CCCCC(=O)N(c1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1)S(C)(=O)=O ZINC000005085298 194403458 /nfs/dbraw/zinc/40/34/58/194403458.db2.gz YIPFOGRREFYOCL-UHFFFAOYSA-N 1 2 492.557 5.523 40 10 JKCBLO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000020797403 195226149 /nfs/dbraw/zinc/22/61/49/195226149.db2.gz AQWIAHCGOFRINP-XMMPIXPASA-N 1 2 457.965 5.683 40 10 JKCBLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c(O)ccc3cc(-c4ccc5ccccc5n4)c(=O)oc31)C2 ZINC000006151129 525916115 /nfs/dbraw/zinc/91/61/15/525916115.db2.gz VEFJOPJDVUJAHM-ACSYHNTCSA-N 1 2 454.570 6.114 40 10 JKCBLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c(O)ccc3cc(-c4ccc5ccccc5n4)c(=O)oc31)C2 ZINC000006151129 525916123 /nfs/dbraw/zinc/91/61/23/525916123.db2.gz VEFJOPJDVUJAHM-ACSYHNTCSA-N 1 2 454.570 6.114 40 10 JKCBLO Cc1ccc(COc2ccc(/C=C3\SC(N4CC[NH+](Cc5ccccc5)CC4)=NC3=O)cc2)cc1 ZINC000009187884 554960410 /nfs/dbraw/zinc/96/04/10/554960410.db2.gz CANMKTBCMZWFHT-DIBXZPPDSA-N 1 2 483.637 5.362 40 10 JKCBLO O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022712163 555946304 /nfs/dbraw/zinc/94/63/04/555946304.db2.gz UVDQCFBPLGRVLT-JXMROGBWSA-N 1 2 476.045 5.599 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223100182 569899424 /nfs/dbraw/zinc/89/94/24/569899424.db2.gz SHQQMWRWWNTODQ-SXOMAYOGSA-N 1 2 473.690 5.860 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223100299 569899451 /nfs/dbraw/zinc/89/94/51/569899451.db2.gz SHQQMWRWWNTODQ-SVBPBHIXSA-N 1 2 473.690 5.860 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223499703 569913705 /nfs/dbraw/zinc/91/37/05/569913705.db2.gz WRCDQASSTCNECD-KAYWLYCHSA-N 1 2 482.657 5.123 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224168789 569935157 /nfs/dbraw/zinc/93/51/57/569935157.db2.gz JFDVBJULNJXQNE-RRPNLBNLSA-N 1 2 467.642 5.732 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224168729 569935165 /nfs/dbraw/zinc/93/51/65/569935165.db2.gz JFDVBJULNJXQNE-SXOMAYOGSA-N 1 2 467.642 5.732 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224304023 569939861 /nfs/dbraw/zinc/93/98/61/569939861.db2.gz ULAQSXYNUOGALG-WDYNHAJCSA-N 1 2 495.696 6.349 40 10 JKCBLO CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000224338094 569941141 /nfs/dbraw/zinc/94/11/41/569941141.db2.gz BYBXJNNNESEKIE-VMPREFPWSA-N 1 2 495.696 6.295 40 10 JKCBLO COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c1 ZINC000224534344 569947549 /nfs/dbraw/zinc/94/75/49/569947549.db2.gz WHTVRHRBFXQCNS-NSOVKSMOSA-N 1 2 497.668 5.741 40 10 JKCBLO COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([NH+](C)C)cc2)c1C ZINC000224569625 569948914 /nfs/dbraw/zinc/94/89/14/569948914.db2.gz VARHERPOLRXHFM-NSOVKSMOSA-N 1 2 497.668 5.741 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224901388 569962475 /nfs/dbraw/zinc/96/24/75/569962475.db2.gz COGWSAQAGFCAJF-VSGBNLITSA-N 1 2 499.659 6.180 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225017676 569969428 /nfs/dbraw/zinc/96/94/28/569969428.db2.gz FNJYDBMETCLBRU-CLJLJLNGSA-N 1 2 459.663 5.470 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000225017774 569969478 /nfs/dbraw/zinc/96/94/78/569969478.db2.gz FNJYDBMETCLBRU-UIOOFZCWSA-N 1 2 459.663 5.470 40 10 JKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000408776572 570040345 /nfs/dbraw/zinc/04/03/45/570040345.db2.gz WAJZUMSIUBYZTJ-LFVJCYFKSA-N 1 2 490.991 5.260 40 10 JKCBLO Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409191715 570162154 /nfs/dbraw/zinc/16/21/54/570162154.db2.gz LJGFTSYASGNIJK-HYARGMPZSA-N 1 2 451.979 6.054 40 10 JKCBLO C[NH+](C)c1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000059104771 195388256 /nfs/dbraw/zinc/38/82/56/195388256.db2.gz DDIMNGQZWKGPQL-QGOAFFKASA-N 1 2 469.328 5.357 40 10 JKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 ZINC000059135368 195389900 /nfs/dbraw/zinc/38/99/00/195389900.db2.gz XEGJILCQALQIIQ-LFVJCYFKSA-N 1 2 474.536 5.586 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223348638 569908194 /nfs/dbraw/zinc/90/81/94/569908194.db2.gz MENYJAUYBDVWCY-CLJLJLNGSA-N 1 2 471.630 5.321 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223499872 569913762 /nfs/dbraw/zinc/91/37/62/569913762.db2.gz WRCDQASSTCNECD-SVBPBHIXSA-N 1 2 482.657 5.123 40 10 JKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223762862 569922560 /nfs/dbraw/zinc/92/25/60/569922560.db2.gz MAHORCFWBJGGNB-IZLXSDGUSA-N 1 2 497.668 5.741 40 10 JKCBLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000223762973 569922562 /nfs/dbraw/zinc/92/25/62/569922562.db2.gz MAHORCFWBJGGNB-VSGBNLITSA-N 1 2 497.668 5.741 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223860838 569925397 /nfs/dbraw/zinc/92/53/97/569925397.db2.gz OZJHSWLGXILRRV-RRPNLBNLSA-N 1 2 483.641 5.438 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224205469 569936486 /nfs/dbraw/zinc/93/64/86/569936486.db2.gz HWZNFBDLZPZXKL-WUFINQPMSA-N 1 2 481.669 6.041 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224205526 569936500 /nfs/dbraw/zinc/93/65/00/569936500.db2.gz HWZNFBDLZPZXKL-NSOVKSMOSA-N 1 2 481.669 6.041 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224270474 569938690 /nfs/dbraw/zinc/93/86/90/569938690.db2.gz VTBKELFVBABMJH-URLMMPGGSA-N 1 2 495.696 6.349 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224270518 569938717 /nfs/dbraw/zinc/93/87/17/569938717.db2.gz VTBKELFVBABMJH-VMPREFPWSA-N 1 2 495.696 6.349 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224270434 569938739 /nfs/dbraw/zinc/93/87/39/569938739.db2.gz VTBKELFVBABMJH-WDYNHAJCSA-N 1 2 495.696 6.349 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224304120 569939906 /nfs/dbraw/zinc/93/99/06/569939906.db2.gz ULAQSXYNUOGALG-VMPREFPWSA-N 1 2 495.696 6.349 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224402148 569943430 /nfs/dbraw/zinc/94/34/30/569943430.db2.gz CYHLMMMZGJABEC-KAYWLYCHSA-N 1 2 485.632 5.871 40 10 JKCBLO COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)c1 ZINC000224534491 569947557 /nfs/dbraw/zinc/94/75/57/569947557.db2.gz WHTVRHRBFXQCNS-VSGBNLITSA-N 1 2 497.668 5.741 40 10 JKCBLO Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409213370 570171028 /nfs/dbraw/zinc/17/10/28/570171028.db2.gz TUXYWCAGHACAIL-LPYMAVHISA-N 1 2 451.979 6.054 40 10 JKCBLO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000020797407 195226050 /nfs/dbraw/zinc/22/60/50/195226050.db2.gz AQWIAHCGOFRINP-DEOSSOPVSA-N 1 2 457.965 5.683 40 10 JKCBLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000020970028 195257367 /nfs/dbraw/zinc/25/73/67/195257367.db2.gz LMQLLMNBJRXFLE-AREMUKBSSA-N 1 2 451.574 5.592 40 10 JKCBLO CCCCN(CCCCCCCCCC[N@H+](CCCC)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000004366759 520501524 /nfs/dbraw/zinc/50/15/24/520501524.db2.gz OZSUIHPUZNZOJZ-UHFFFAOYSA-N 1 2 496.780 8.738 40 10 JKCBLO CCCCN(CCCCCCCCCC[N@@H+](CCCC)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000004366759 520501531 /nfs/dbraw/zinc/50/15/31/520501531.db2.gz OZSUIHPUZNZOJZ-UHFFFAOYSA-N 1 2 496.780 8.738 40 10 JKCBLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc31)C2 ZINC000011868506 555845176 /nfs/dbraw/zinc/84/51/76/555845176.db2.gz RIUQYEWZDJLFRW-XGCWNURASA-N 1 2 460.599 6.176 40 10 JKCBLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc31)C2 ZINC000011868506 555845177 /nfs/dbraw/zinc/84/51/77/555845177.db2.gz RIUQYEWZDJLFRW-XGCWNURASA-N 1 2 460.599 6.176 40 10 JKCBLO COc1ccc(OC)c(C2N(Cc3ccc(N(C)C)cc3)CCC[N@@H+]2Cc2ccc(N(C)C)cc2)c1 ZINC000019326504 556341661 /nfs/dbraw/zinc/34/16/61/556341661.db2.gz HXCVFWYYHDIXJY-UHFFFAOYSA-N 1 2 488.676 5.243 40 10 JKCBLO COc1ccc(OC)c(C2N(Cc3ccc(N(C)C)cc3)CCC[N@H+]2Cc2ccc(N(C)C)cc2)c1 ZINC000019326504 556341664 /nfs/dbraw/zinc/34/16/64/556341664.db2.gz HXCVFWYYHDIXJY-UHFFFAOYSA-N 1 2 488.676 5.243 40 10 JKCBLO CN(C)c1ccc(CN2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2c2cc(Cl)ccc2O)cc1 ZINC000019326955 556341769 /nfs/dbraw/zinc/34/17/69/556341769.db2.gz QKLDPHPYCITZAF-UHFFFAOYSA-N 1 2 479.068 5.584 40 10 JKCBLO CN(C)c1ccc(CN2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2c2cc(Cl)ccc2O)cc1 ZINC000019326955 556341771 /nfs/dbraw/zinc/34/17/71/556341771.db2.gz QKLDPHPYCITZAF-UHFFFAOYSA-N 1 2 479.068 5.584 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223387591 569909509 /nfs/dbraw/zinc/90/95/09/569909509.db2.gz PPZFEUSZCLTASC-VSGBNLITSA-N 1 2 481.669 5.728 40 10 JKCBLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000223387776 569909581 /nfs/dbraw/zinc/90/95/81/569909581.db2.gz PPZFEUSZCLTASC-NSOVKSMOSA-N 1 2 481.669 5.728 40 10 JKCBLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224237705 569937635 /nfs/dbraw/zinc/93/76/35/569937635.db2.gz MPTWIVACPZDASI-IZLXSDGUSA-N 1 2 481.669 6.041 40 10 JKCBLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224605756 569950399 /nfs/dbraw/zinc/95/03/99/569950399.db2.gz NYGBKXWNLFGVDM-KAYWLYCHSA-N 1 2 483.641 5.438 40 10 JKCBLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000224901467 569962495 /nfs/dbraw/zinc/96/24/95/569962495.db2.gz COGWSAQAGFCAJF-WUFINQPMSA-N 1 2 499.659 6.180 40 10 JKCBLO CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000408783611 570042393 /nfs/dbraw/zinc/04/23/93/570042393.db2.gz PDDZAOZBJXNMKL-YZSQISJMSA-N 1 2 484.600 5.224 40 10 JKCBLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(N(CC)CC)cc1 ZINC000261364756 570168674 /nfs/dbraw/zinc/16/86/74/570168674.db2.gz NNAXVZSQTWRVTK-AREMUKBSSA-O 1 2 492.669 5.179 40 10 JKCBLO