smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(Cl)ccc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000159717135 186137475 /nfs/dbraw/zinc/13/74/75/186137475.db2.gz QHYFLSWWVLAZDA-UHFFFAOYSA-N 1 2 309.841 3.036 20 70 DGIDLO Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC000159738586 186138350 /nfs/dbraw/zinc/13/83/50/186138350.db2.gz SSZHLDQZTBMBDJ-MRXNPFEDSA-N 1 2 310.401 3.099 20 70 DGIDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1cccnc1 ZINC000159468717 197356052 /nfs/dbraw/zinc/35/60/52/197356052.db2.gz CRKQJRUUUKBLOS-LBPRGKRZSA-N 1 2 303.793 3.194 20 70 DGIDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)Cc1cccnc1 ZINC000159468717 197356053 /nfs/dbraw/zinc/35/60/53/197356053.db2.gz CRKQJRUUUKBLOS-LBPRGKRZSA-N 1 2 303.793 3.194 20 70 DGIDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000159774176 533530815 /nfs/dbraw/zinc/53/08/15/533530815.db2.gz TTYDUXUQRMHVPJ-DIFFPNOSSA-N 1 2 312.344 3.449 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)n1 ZINC000159778889 432694965 /nfs/dbraw/zinc/69/49/65/432694965.db2.gz AQIJNPURHQYNRK-CQSZACIVSA-N 1 2 300.406 3.408 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)n1 ZINC000159778889 432694971 /nfs/dbraw/zinc/69/49/71/432694971.db2.gz AQIJNPURHQYNRK-CQSZACIVSA-N 1 2 300.406 3.408 20 70 DGIDLO Cc1[nH+]c2cc(NC(=O)c3cccc4[nH]cnc43)ccc2n1C ZINC000159746286 432695022 /nfs/dbraw/zinc/69/50/22/432695022.db2.gz OXDIJGVBJFXTLO-UHFFFAOYSA-N 1 2 305.341 3.010 20 70 DGIDLO C[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000159993835 432702275 /nfs/dbraw/zinc/70/22/75/432702275.db2.gz PFRJJXKLNAIUNH-ZBFHGGJFSA-N 1 2 301.434 3.124 20 70 DGIDLO CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000159411132 432682143 /nfs/dbraw/zinc/68/21/43/432682143.db2.gz UGLULFDAOBRZNN-HIFRSBDPSA-N 1 2 317.820 3.366 20 70 DGIDLO Cc1cc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC000159629423 432690817 /nfs/dbraw/zinc/69/08/17/432690817.db2.gz JYCLBCBVFUWXHE-YPMHNXCESA-N 1 2 303.431 3.001 20 70 DGIDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(F)cc1F ZINC000161012264 432755113 /nfs/dbraw/zinc/75/51/13/432755113.db2.gz ZILBKSXBAKNDMY-CVEARBPZSA-N 1 2 304.340 3.232 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000161156625 432764114 /nfs/dbraw/zinc/76/41/14/432764114.db2.gz UTHNAJSUMWITPE-MRXNPFEDSA-N 1 2 323.440 3.271 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000161156625 432764116 /nfs/dbraw/zinc/76/41/16/432764116.db2.gz UTHNAJSUMWITPE-MRXNPFEDSA-N 1 2 323.440 3.271 20 70 DGIDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000161384709 432776527 /nfs/dbraw/zinc/77/65/27/432776527.db2.gz LEOKZRWTOIOVTO-CYBMUJFWSA-N 1 2 306.837 3.030 20 70 DGIDLO CCc1cc(N[C@H]2CCOC(C)(C)C2)nc(-c2ccncc2)[nH+]1 ZINC000160658561 432733784 /nfs/dbraw/zinc/73/37/84/432733784.db2.gz HLYLGTSNDVTCCO-HNNXBMFYSA-N 1 2 312.417 3.471 20 70 DGIDLO Fc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000216703453 546262559 /nfs/dbraw/zinc/26/25/59/546262559.db2.gz HYGYSMCKJOZSAQ-GOSISDBHSA-N 1 2 319.351 3.417 20 70 DGIDLO Fc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000216703453 546262564 /nfs/dbraw/zinc/26/25/64/546262564.db2.gz HYGYSMCKJOZSAQ-GOSISDBHSA-N 1 2 319.351 3.417 20 70 DGIDLO C[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCOC1 ZINC000159546380 186126467 /nfs/dbraw/zinc/12/64/67/186126467.db2.gz MRLKSQCGFLSOMB-SNVBAGLBSA-N 1 2 310.369 3.309 20 70 DGIDLO C[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)[C@@H]1CCOC1 ZINC000159546380 186126469 /nfs/dbraw/zinc/12/64/69/186126469.db2.gz MRLKSQCGFLSOMB-SNVBAGLBSA-N 1 2 310.369 3.309 20 70 DGIDLO CC(C)(C)c1cnc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)o1 ZINC000161478366 292835708 /nfs/dbraw/zinc/83/57/08/292835708.db2.gz VKXUGRRXWUOOLM-ZDUSSCGKSA-N 1 2 320.355 3.107 20 70 DGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CC1CCCCC1 ZINC000161024647 296052893 /nfs/dbraw/zinc/05/28/93/296052893.db2.gz AFWXGSMJUBOEHH-SJORKVTESA-N 1 2 315.461 3.407 20 70 DGIDLO Cc1cc(C)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(C)c1 ZINC000159763108 197362669 /nfs/dbraw/zinc/36/26/69/197362669.db2.gz ONRAQZWENSKVJK-INIZCTEOSA-N 1 2 324.428 3.407 20 70 DGIDLO CCSCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000159436152 197353188 /nfs/dbraw/zinc/35/31/88/197353188.db2.gz JGULVRNXRCRJOY-OAHLLOKOSA-N 1 2 303.431 3.231 20 70 DGIDLO CCSCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000159436152 197353190 /nfs/dbraw/zinc/35/31/90/197353190.db2.gz JGULVRNXRCRJOY-OAHLLOKOSA-N 1 2 303.431 3.231 20 70 DGIDLO Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160142050 278965065 /nfs/dbraw/zinc/96/50/65/278965065.db2.gz XXNSNHVQXBDPAU-NVXWUHKLSA-N 1 2 309.413 3.118 20 70 DGIDLO CN(Cc1nccn1Cc1ccccc1)c1[nH]c2ccccc2[nH+]1 ZINC000159731892 432693667 /nfs/dbraw/zinc/69/36/67/432693667.db2.gz BLIQXLFHSNYPOH-UHFFFAOYSA-N 1 2 317.396 3.444 20 70 DGIDLO C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C[C@@H]1n1cc[nH+]c1 ZINC000159962736 432703705 /nfs/dbraw/zinc/70/37/05/432703705.db2.gz UJUBFUMWEJUNQI-NEPJUHHUSA-N 1 2 305.451 3.120 20 70 DGIDLO CCc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000160367134 432717228 /nfs/dbraw/zinc/71/72/28/432717228.db2.gz MLKZQXJJPIHBMP-DLBZAZTESA-N 1 2 324.428 3.471 20 70 DGIDLO COc1ccc2[nH+]c(C)nc(N[C@@H]3CCO[C@H](C4CC4)C3)c2c1 ZINC000160422435 432719066 /nfs/dbraw/zinc/71/90/66/432719066.db2.gz PQFMJXGORNUTLM-DYVFJYSZSA-N 1 2 313.401 3.316 20 70 DGIDLO CN(CCCn1cc[nH+]c1)C(=O)CCC(C)(C)c1ccccc1 ZINC000160483465 432722911 /nfs/dbraw/zinc/72/29/11/432722911.db2.gz OYJHMLHFQAVQIO-UHFFFAOYSA-N 1 2 313.445 3.490 20 70 DGIDLO Cc1cc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC000159629188 432690598 /nfs/dbraw/zinc/69/05/98/432690598.db2.gz JYCLBCBVFUWXHE-DGCLKSJQSA-N 1 2 303.431 3.001 20 70 DGIDLO CC[C@H](O)CN(Cc1ccccc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000161013961 432755275 /nfs/dbraw/zinc/75/52/75/432755275.db2.gz XRITVKDZYLPNRU-KRWDZBQOSA-N 1 2 311.429 3.440 20 70 DGIDLO CCc1nn(C)c(CC)c1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000160531110 432727559 /nfs/dbraw/zinc/72/75/59/432727559.db2.gz HFGBATODOZHOLL-UHFFFAOYSA-N 1 2 309.417 3.343 20 70 DGIDLO CC1(C)CCCC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000160693708 432735582 /nfs/dbraw/zinc/73/55/82/432735582.db2.gz IVEKXBIUPKQKJW-LSDHHAIUSA-N 1 2 318.465 3.066 20 70 DGIDLO CC1(C)CCCC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000160693708 432735587 /nfs/dbraw/zinc/73/55/87/432735587.db2.gz IVEKXBIUPKQKJW-LSDHHAIUSA-N 1 2 318.465 3.066 20 70 DGIDLO CCC(CC)n1ncc(C(=O)Nc2ccc[nH+]c2N(C)C)c1C ZINC000160790087 432742452 /nfs/dbraw/zinc/74/24/52/432742452.db2.gz AJDJSJHGGPPOCX-UHFFFAOYSA-N 1 2 315.421 3.266 20 70 DGIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000160861805 432746178 /nfs/dbraw/zinc/74/61/78/432746178.db2.gz AHBRIZSYOGAWBC-KGLIPLIRSA-N 1 2 324.409 3.379 20 70 DGIDLO CC(C)CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159462601 292793067 /nfs/dbraw/zinc/79/30/67/292793067.db2.gz ROFHUAZICUIGHV-AWEZNQCLSA-N 1 2 309.479 3.182 20 70 DGIDLO Cc1nnc(SCCn2cc[nH+]c2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000160336500 292811995 /nfs/dbraw/zinc/81/19/95/292811995.db2.gz LVPOVRPDZWFOHN-TZMCWYRMSA-N 1 2 305.451 3.327 20 70 DGIDLO Clc1ccc(Cl)c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000160170462 197390563 /nfs/dbraw/zinc/39/05/63/197390563.db2.gz RKCGSZGIQLPSHV-UHFFFAOYSA-N 1 2 323.227 3.106 20 70 DGIDLO CCN(CC)c1ccc(CNC(=O)N2CCC3(CCC3)C2)c[nH+]1 ZINC000160067197 197383342 /nfs/dbraw/zinc/38/33/42/197383342.db2.gz SCIJKOUIYDRSPA-UHFFFAOYSA-N 1 2 316.449 3.013 20 70 DGIDLO C[C@@H](SCC[NH+]1CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000160023462 197380184 /nfs/dbraw/zinc/38/01/84/197380184.db2.gz KNIFIIPBYGZADB-CQSZACIVSA-N 1 2 318.442 3.468 20 70 DGIDLO C/C(=C\c1ccccc1Cl)C(=O)N(C)Cc1[nH+]ccn1C ZINC000159900242 197371495 /nfs/dbraw/zinc/37/14/95/197371495.db2.gz RGENFYOIRCXHNC-ZRDIBKRKSA-N 1 2 303.793 3.135 20 70 DGIDLO CSCCCCC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000159827741 197367003 /nfs/dbraw/zinc/36/70/03/197367003.db2.gz LTVRZWKFFZEGOR-UHFFFAOYSA-N 1 2 319.474 3.384 20 70 DGIDLO CCc1cccc(C)c1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159784221 197364083 /nfs/dbraw/zinc/36/40/83/197364083.db2.gz LLPMBEJCHZWQJH-MRXNPFEDSA-N 1 2 324.428 3.353 20 70 DGIDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000159422888 197352075 /nfs/dbraw/zinc/35/20/75/197352075.db2.gz RAKANOUIWVOPTR-NEPJUHHUSA-N 1 2 324.471 3.349 20 70 DGIDLO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159407219 278499012 /nfs/dbraw/zinc/49/90/12/278499012.db2.gz CIWCUDTWROMMMY-KFWWJZLASA-N 1 2 303.450 3.167 20 70 DGIDLO CC(C)(C)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000160240557 278531155 /nfs/dbraw/zinc/53/11/55/278531155.db2.gz ARWMUIQADALTTL-DOTOQJQBSA-N 1 2 311.429 3.349 20 70 DGIDLO CC(=O)c1ccc(SCC(=O)Nc2cc[nH+]c(C)c2)cc1F ZINC000159925240 432700755 /nfs/dbraw/zinc/70/07/55/432700755.db2.gz IUJHQMXRFXPHRF-UHFFFAOYSA-N 1 2 318.373 3.463 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2C(F)(F)F)n1 ZINC000160252447 432712252 /nfs/dbraw/zinc/71/22/52/432712252.db2.gz YFDLQWFPZYBUCS-AWEZNQCLSA-N 1 2 324.350 3.479 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C(F)(F)F)n1 ZINC000160252447 432712256 /nfs/dbraw/zinc/71/22/56/432712256.db2.gz YFDLQWFPZYBUCS-AWEZNQCLSA-N 1 2 324.350 3.479 20 70 DGIDLO Cc1cccc([C@@H]2CCCN2Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000160238617 432712448 /nfs/dbraw/zinc/71/24/48/432712448.db2.gz PAPHQFNTHYYEOG-AWEZNQCLSA-N 1 2 324.350 3.486 20 70 DGIDLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159418884 432682959 /nfs/dbraw/zinc/68/29/59/432682959.db2.gz ZIORKWBBYFIKNS-TZMCWYRMSA-N 1 2 317.820 3.319 20 70 DGIDLO Cc1cccc2[nH+]c(CNc3nc(C(C)(C)C)ns3)cn21 ZINC000159413721 432683960 /nfs/dbraw/zinc/68/39/60/432683960.db2.gz QWEMUTXINGMJKC-UHFFFAOYSA-N 1 2 301.419 3.404 20 70 DGIDLO CCc1cnc(CN(C)Cc2c(C)[nH+]c3ccccn32)s1 ZINC000160939042 432751156 /nfs/dbraw/zinc/75/11/56/432751156.db2.gz OSRXSMSHYBESTL-UHFFFAOYSA-N 1 2 300.431 3.294 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000161076601 432757809 /nfs/dbraw/zinc/75/78/09/432757809.db2.gz RSJPVLGJYRIKIC-JKSUJKDBSA-N 1 2 323.440 3.270 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000161076601 432757816 /nfs/dbraw/zinc/75/78/16/432757816.db2.gz RSJPVLGJYRIKIC-JKSUJKDBSA-N 1 2 323.440 3.270 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000161161860 432762983 /nfs/dbraw/zinc/76/29/83/432762983.db2.gz VPSCDABJWOPXJP-LBPRGKRZSA-N 1 2 319.355 3.209 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000161161860 432762989 /nfs/dbraw/zinc/76/29/89/432762989.db2.gz VPSCDABJWOPXJP-LBPRGKRZSA-N 1 2 319.355 3.209 20 70 DGIDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cnc3ccccn23)CCO1 ZINC000160609294 432731617 /nfs/dbraw/zinc/73/16/17/432731617.db2.gz XWIQBCKPINARDM-SFHVURJKSA-N 1 2 307.397 3.216 20 70 DGIDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cnc3ccccn23)CCO1 ZINC000160609294 432731620 /nfs/dbraw/zinc/73/16/20/432731620.db2.gz XWIQBCKPINARDM-SFHVURJKSA-N 1 2 307.397 3.216 20 70 DGIDLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000160717524 432736907 /nfs/dbraw/zinc/73/69/07/432736907.db2.gz YEHHLKLDSXISOZ-MRXNPFEDSA-N 1 2 315.417 3.257 20 70 DGIDLO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000160717524 432736912 /nfs/dbraw/zinc/73/69/12/432736912.db2.gz YEHHLKLDSXISOZ-MRXNPFEDSA-N 1 2 315.417 3.257 20 70 DGIDLO COC(=O)C1([NH2+]CCC(=O)c2ccc(C)cc2)CCCCC1 ZINC000159739627 292799548 /nfs/dbraw/zinc/79/95/48/292799548.db2.gz FZYIIAMABYLRSM-UHFFFAOYSA-N 1 2 303.402 3.033 20 70 DGIDLO Cc1[nH+]c2ccccn2c1CN1C[C@H](C)C(=O)Nc2ccccc21 ZINC000160861999 292823044 /nfs/dbraw/zinc/82/30/44/292823044.db2.gz LRCHPDLBRQZSIE-ZDUSSCGKSA-N 1 2 320.396 3.238 20 70 DGIDLO COC(=O)c1occc1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160301595 522409658 /nfs/dbraw/zinc/40/96/58/522409658.db2.gz VTZJGXMXCBFZRO-HNNXBMFYSA-N 1 2 300.358 3.107 20 70 DGIDLO COC(=O)c1occc1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160301595 522409667 /nfs/dbraw/zinc/40/96/67/522409667.db2.gz VTZJGXMXCBFZRO-HNNXBMFYSA-N 1 2 300.358 3.107 20 70 DGIDLO CCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000160105130 528543083 /nfs/dbraw/zinc/54/30/83/528543083.db2.gz TUHRGRJRDMFNLP-LLVKDONJSA-N 1 2 319.792 3.136 20 70 DGIDLO C[C@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000160088492 546058184 /nfs/dbraw/zinc/05/81/84/546058184.db2.gz IKVUBWZOGGNFNE-CQSZACIVSA-N 1 2 306.369 3.400 20 70 DGIDLO Fc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000216687282 546262396 /nfs/dbraw/zinc/26/23/96/546262396.db2.gz MMNDEQAVINRRPY-SFHVURJKSA-N 1 2 319.351 3.417 20 70 DGIDLO Fc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000216687282 546262399 /nfs/dbraw/zinc/26/23/99/546262399.db2.gz MMNDEQAVINRRPY-SFHVURJKSA-N 1 2 319.351 3.417 20 70 DGIDLO CCOc1ccc(C2=CC[N@H+](Cc3nnc(CC)[nH]3)CC2)cc1 ZINC000160222964 197394117 /nfs/dbraw/zinc/39/41/17/197394117.db2.gz LIVAYKRIGNHHPF-UHFFFAOYSA-N 1 2 312.417 3.055 20 70 DGIDLO CCOc1ccc(C2=CC[N@@H+](Cc3nnc(CC)[nH]3)CC2)cc1 ZINC000160222964 197394119 /nfs/dbraw/zinc/39/41/19/197394119.db2.gz LIVAYKRIGNHHPF-UHFFFAOYSA-N 1 2 312.417 3.055 20 70 DGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C1CCCCC1 ZINC000160127079 228245358 /nfs/dbraw/zinc/24/53/58/228245358.db2.gz BMLBRRDACBRAPP-JKSUJKDBSA-N 1 2 301.434 3.017 20 70 DGIDLO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160141919 228245464 /nfs/dbraw/zinc/24/54/64/228245464.db2.gz XXNSNHVQXBDPAU-WBVHZDCISA-N 1 2 309.413 3.118 20 70 DGIDLO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160142186 228245683 /nfs/dbraw/zinc/24/56/83/228245683.db2.gz XXNSNHVQXBDPAU-RDJZCZTQSA-N 1 2 309.413 3.118 20 70 DGIDLO Cc1ccc(C)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159691296 432692393 /nfs/dbraw/zinc/69/23/93/432692393.db2.gz IHJMWULGXUDNNY-OAHLLOKOSA-N 1 2 310.401 3.099 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccco3)no2)n1 ZINC000160121601 432709047 /nfs/dbraw/zinc/70/90/47/432709047.db2.gz IBAZQHYVJVKRFL-AWEZNQCLSA-N 1 2 310.357 3.370 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccco3)no2)n1 ZINC000160121601 432709050 /nfs/dbraw/zinc/70/90/50/432709050.db2.gz IBAZQHYVJVKRFL-AWEZNQCLSA-N 1 2 310.357 3.370 20 70 DGIDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CC3(C)C)n2)CC1 ZINC000160519675 432725509 /nfs/dbraw/zinc/72/55/09/432725509.db2.gz GLNRAOIMFGXGFX-ZDUSSCGKSA-N 1 2 307.463 3.360 20 70 DGIDLO CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000159411421 432682479 /nfs/dbraw/zinc/68/24/79/432682479.db2.gz UGLULFDAOBRZNN-ZFWWWQNUSA-N 1 2 317.820 3.366 20 70 DGIDLO CCN(C(=O)[C@H](C)[N@H+](CC)Cc1ccccn1)c1ccccc1 ZINC000161072936 432758537 /nfs/dbraw/zinc/75/85/37/432758537.db2.gz QAFXSLVWPCGUDO-INIZCTEOSA-N 1 2 311.429 3.345 20 70 DGIDLO CCN(C(=O)[C@H](C)[N@@H+](CC)Cc1ccccn1)c1ccccc1 ZINC000161072936 432758541 /nfs/dbraw/zinc/75/85/41/432758541.db2.gz QAFXSLVWPCGUDO-INIZCTEOSA-N 1 2 311.429 3.345 20 70 DGIDLO CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161393396 432776896 /nfs/dbraw/zinc/77/68/96/432776896.db2.gz ZJGNZPNZOMVJJT-GXTWGEPZSA-N 1 2 315.442 3.043 20 70 DGIDLO CC(C)CSCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000160661389 432734559 /nfs/dbraw/zinc/73/45/59/432734559.db2.gz ZIEIRRPJSXPFPE-UHFFFAOYSA-N 1 2 317.458 3.381 20 70 DGIDLO Cc1sc2[nH]c(C[N@@H+](C)[C@@H](C)c3ccco3)nc(=O)c2c1C ZINC000161501062 432783066 /nfs/dbraw/zinc/78/30/66/432783066.db2.gz KAGMZIVLMWVZQR-JTQLQIEISA-N 1 2 317.414 3.387 20 70 DGIDLO Cc1sc2[nH]c(C[N@H+](C)[C@@H](C)c3ccco3)nc(=O)c2c1C ZINC000161501062 432783071 /nfs/dbraw/zinc/78/30/71/432783071.db2.gz KAGMZIVLMWVZQR-JTQLQIEISA-N 1 2 317.414 3.387 20 70 DGIDLO CC[C@H](C)Oc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160413194 521775116 /nfs/dbraw/zinc/77/51/16/521775116.db2.gz FPEJNJDUNKXSSO-KBPBESRZSA-N 1 2 313.401 3.262 20 70 DGIDLO CC[C@@H](C)Oc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160412798 522268146 /nfs/dbraw/zinc/26/81/46/522268146.db2.gz FPEJNJDUNKXSSO-ZIAGYGMSSA-N 1 2 313.401 3.262 20 70 DGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CC1CCCCC1 ZINC000161024527 296135238 /nfs/dbraw/zinc/13/52/38/296135238.db2.gz AFWXGSMJUBOEHH-DLBZAZTESA-N 1 2 315.461 3.407 20 70 DGIDLO C[C@@H]1C[N@H+](Cc2cnc3ccccn23)[C@H](c2ccccc2)CO1 ZINC000160895413 288221788 /nfs/dbraw/zinc/22/17/88/288221788.db2.gz JSLNEVISAQFBQH-QAPCUYQASA-N 1 2 307.397 3.296 20 70 DGIDLO C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)[C@H](c2ccccc2)CO1 ZINC000160895413 288221792 /nfs/dbraw/zinc/22/17/92/288221792.db2.gz JSLNEVISAQFBQH-QAPCUYQASA-N 1 2 307.397 3.296 20 70 DGIDLO C[C@@H]1CN(Cc2c[nH+]c3ccccn23)[C@H](c2ccccc2)CO1 ZINC000160895413 288221793 /nfs/dbraw/zinc/22/17/93/288221793.db2.gz JSLNEVISAQFBQH-QAPCUYQASA-N 1 2 307.397 3.296 20 70 DGIDLO CCc1ccc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)o1 ZINC000159893414 432700074 /nfs/dbraw/zinc/70/00/74/432700074.db2.gz NNDSHNZCPDMDJE-UHFFFAOYSA-N 1 2 311.385 3.101 20 70 DGIDLO CCc1ccc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)o1 ZINC000159893414 432700077 /nfs/dbraw/zinc/70/00/77/432700077.db2.gz NNDSHNZCPDMDJE-UHFFFAOYSA-N 1 2 311.385 3.101 20 70 DGIDLO CC(C)COc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160116827 432706091 /nfs/dbraw/zinc/70/60/91/432706091.db2.gz SVZRNPSAIBYKJN-CQSZACIVSA-N 1 2 313.401 3.119 20 70 DGIDLO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000159471912 432682993 /nfs/dbraw/zinc/68/29/93/432682993.db2.gz PBEKBOKHIFYHEY-ZDUSSCGKSA-N 1 2 315.442 3.263 20 70 DGIDLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000159471912 432682997 /nfs/dbraw/zinc/68/29/97/432682997.db2.gz PBEKBOKHIFYHEY-ZDUSSCGKSA-N 1 2 315.442 3.263 20 70 DGIDLO CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159461724 432683542 /nfs/dbraw/zinc/68/35/42/432683542.db2.gz GKLAGCFSODYMCR-CYBMUJFWSA-N 1 2 317.820 3.148 20 70 DGIDLO Cc1csc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000159487365 432684671 /nfs/dbraw/zinc/68/46/71/432684671.db2.gz KUWGNPVODHBWMW-KRWDZBQOSA-N 1 2 300.427 3.125 20 70 DGIDLO Cc1csc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000159487365 432684674 /nfs/dbraw/zinc/68/46/74/432684674.db2.gz KUWGNPVODHBWMW-KRWDZBQOSA-N 1 2 300.427 3.125 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000161183158 432764851 /nfs/dbraw/zinc/76/48/51/432764851.db2.gz CDDXCIHELVXGGV-ZDUSSCGKSA-N 1 2 309.373 3.110 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000161183158 432764855 /nfs/dbraw/zinc/76/48/55/432764855.db2.gz CDDXCIHELVXGGV-ZDUSSCGKSA-N 1 2 309.373 3.110 20 70 DGIDLO O=C(Nc1cccc(SC(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161271844 432769198 /nfs/dbraw/zinc/76/91/98/432769198.db2.gz JDWNCYSQGNZYQH-JTQLQIEISA-N 1 2 323.368 3.399 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000160651081 432734061 /nfs/dbraw/zinc/73/40/61/432734061.db2.gz OKKSAYWWIFBLEY-JTQLQIEISA-N 1 2 307.344 3.216 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000160651081 432734066 /nfs/dbraw/zinc/73/40/66/432734066.db2.gz OKKSAYWWIFBLEY-JTQLQIEISA-N 1 2 307.344 3.216 20 70 DGIDLO Cn1ccnc1C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000160832599 432743885 /nfs/dbraw/zinc/74/38/85/432743885.db2.gz JYLMUILCZGUNSV-UHFFFAOYSA-N 1 2 317.820 3.168 20 70 DGIDLO Cn1cc[nH+]c1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000160832599 432743890 /nfs/dbraw/zinc/74/38/90/432743890.db2.gz JYLMUILCZGUNSV-UHFFFAOYSA-N 1 2 317.820 3.168 20 70 DGIDLO CC(C)OCc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160445434 519775820 /nfs/dbraw/zinc/77/58/20/519775820.db2.gz UHGFEHRHJDLXBZ-OAHLLOKOSA-N 1 2 313.401 3.009 20 70 DGIDLO Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC000159738723 186138435 /nfs/dbraw/zinc/13/84/35/186138435.db2.gz SSZHLDQZTBMBDJ-INIZCTEOSA-N 1 2 310.401 3.099 20 70 DGIDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160104485 197386182 /nfs/dbraw/zinc/38/61/82/197386182.db2.gz LDEYLYUWPSRKMS-UONOGXRCSA-N 1 2 323.396 3.378 20 70 DGIDLO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CCCc2sccc21 ZINC000160030616 197380769 /nfs/dbraw/zinc/38/07/69/197380769.db2.gz BBVLSNBNBUWRKX-CQSZACIVSA-N 1 2 311.410 3.132 20 70 DGIDLO CS[C@H](C)CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000159856616 197369367 /nfs/dbraw/zinc/36/93/67/197369367.db2.gz KTVSLTZZKLXOFE-CQSZACIVSA-N 1 2 321.490 3.220 20 70 DGIDLO CCc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159998993 432703280 /nfs/dbraw/zinc/70/32/80/432703280.db2.gz AXFBQVFEPRXOHH-MRXNPFEDSA-N 1 2 310.401 3.044 20 70 DGIDLO CC(C)(C)C[N@H+](CCCO)Cc1noc(C2CCCCC2)n1 ZINC000160040919 432704568 /nfs/dbraw/zinc/70/45/68/432704568.db2.gz HJZRDGJUNWFERY-UHFFFAOYSA-N 1 2 309.454 3.348 20 70 DGIDLO CC(C)(C)C[N@@H+](CCCO)Cc1noc(C2CCCCC2)n1 ZINC000160040919 432704573 /nfs/dbraw/zinc/70/45/73/432704573.db2.gz HJZRDGJUNWFERY-UHFFFAOYSA-N 1 2 309.454 3.348 20 70 DGIDLO CC(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000160170948 432710323 /nfs/dbraw/zinc/71/03/23/432710323.db2.gz OAUZHHQRUIGFPJ-IBGZPJMESA-N 1 2 323.440 3.334 20 70 DGIDLO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000160170948 432710326 /nfs/dbraw/zinc/71/03/26/432710326.db2.gz OAUZHHQRUIGFPJ-IBGZPJMESA-N 1 2 323.440 3.334 20 70 DGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccnc1C ZINC000160252246 432712379 /nfs/dbraw/zinc/71/23/79/432712379.db2.gz PBIPOWORDQBUMV-UHFFFAOYSA-N 1 2 319.355 3.129 20 70 DGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccnc1C ZINC000160252246 432712383 /nfs/dbraw/zinc/71/23/83/432712383.db2.gz PBIPOWORDQBUMV-UHFFFAOYSA-N 1 2 319.355 3.129 20 70 DGIDLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000160265655 432714127 /nfs/dbraw/zinc/71/41/27/432714127.db2.gz FXWGUQXCSAJAHQ-RVKKMQEKSA-N 1 2 315.392 3.201 20 70 DGIDLO Cc1cc(NCc2nnc(C3CC3)n2C2CC2)nc(C(C)C)[nH+]1 ZINC000160337728 432716177 /nfs/dbraw/zinc/71/61/77/432716177.db2.gz VYPDCHNWTWAWDW-UHFFFAOYSA-N 1 2 312.421 3.324 20 70 DGIDLO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2Br)n1 ZINC000160379701 432718126 /nfs/dbraw/zinc/71/81/26/432718126.db2.gz UEMWRTOWNYITBK-UHFFFAOYSA-N 1 2 321.218 3.490 20 70 DGIDLO CN(Cc1cccc2ccccc21)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159386726 432681684 /nfs/dbraw/zinc/68/16/84/432681684.db2.gz GMNZSIGPNZIFEP-INIZCTEOSA-N 1 2 319.408 3.257 20 70 DGIDLO C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159434475 432683266 /nfs/dbraw/zinc/68/32/66/432683266.db2.gz NNUZATJRFJYURS-STQMWFEESA-N 1 2 317.820 3.319 20 70 DGIDLO CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159461841 432683376 /nfs/dbraw/zinc/68/33/76/432683376.db2.gz GKLAGCFSODYMCR-ZDUSSCGKSA-N 1 2 317.820 3.148 20 70 DGIDLO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1nccs1 ZINC000161071431 432758314 /nfs/dbraw/zinc/75/83/14/432758314.db2.gz GXMIJUTUTKJCRP-QWHCGFSZSA-N 1 2 319.405 3.128 20 70 DGIDLO Fc1ccc(N2CC[NH+](Cc3csc(C4CC4)n3)CC2)cc1 ZINC000161263657 432769773 /nfs/dbraw/zinc/76/97/73/432769773.db2.gz HSALFNRSHYGGMK-UHFFFAOYSA-N 1 2 317.433 3.482 20 70 DGIDLO CC(C)(C)SCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161471543 432781507 /nfs/dbraw/zinc/78/15/07/432781507.db2.gz ZMQGWKQSJSJNCM-AWEZNQCLSA-N 1 2 321.490 3.088 20 70 DGIDLO COc1cc(OC)c(C[N@H+](C)Cc2ccccc2F)c(OC)c1 ZINC000160729493 432737774 /nfs/dbraw/zinc/73/77/74/432737774.db2.gz SBSSPWUIEMHUPW-UHFFFAOYSA-N 1 2 319.376 3.484 20 70 DGIDLO COc1cc(OC)c(C[N@@H+](C)Cc2ccccc2F)c(OC)c1 ZINC000160729493 432737777 /nfs/dbraw/zinc/73/77/77/432737777.db2.gz SBSSPWUIEMHUPW-UHFFFAOYSA-N 1 2 319.376 3.484 20 70 DGIDLO Cc1[nH+]c2ccccn2c1CN1C[C@@H](C)C(=O)Nc2ccccc21 ZINC000160862107 432745874 /nfs/dbraw/zinc/74/58/74/432745874.db2.gz LRCHPDLBRQZSIE-CYBMUJFWSA-N 1 2 320.396 3.238 20 70 DGIDLO Cc1nc(C2([NH2+]Cc3ccc(-n4cccn4)cc3)CCCC2)no1 ZINC000161379654 292834589 /nfs/dbraw/zinc/83/45/89/292834589.db2.gz XYMULQNFNCAQHN-UHFFFAOYSA-N 1 2 323.400 3.123 20 70 DGIDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000159423178 197352337 /nfs/dbraw/zinc/35/23/37/197352337.db2.gz RAKANOUIWVOPTR-VXGBXAGGSA-N 1 2 324.471 3.349 20 70 DGIDLO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+](CC(F)F)C1CC1 ZINC000160059214 432704943 /nfs/dbraw/zinc/70/49/43/432704943.db2.gz HWSUKXWYUBWDMM-CYBMUJFWSA-N 1 2 323.305 3.338 20 70 DGIDLO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+](CC(F)F)C1CC1 ZINC000160059214 432704946 /nfs/dbraw/zinc/70/49/46/432704946.db2.gz HWSUKXWYUBWDMM-CYBMUJFWSA-N 1 2 323.305 3.338 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2C(F)(F)F)n1 ZINC000160252585 432711517 /nfs/dbraw/zinc/71/15/17/432711517.db2.gz YFDLQWFPZYBUCS-CQSZACIVSA-N 1 2 324.350 3.479 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2C(F)(F)F)n1 ZINC000160252585 432711520 /nfs/dbraw/zinc/71/15/20/432711520.db2.gz YFDLQWFPZYBUCS-CQSZACIVSA-N 1 2 324.350 3.479 20 70 DGIDLO Cc1ccc(CNc2cc[nH+]c(C)n2)c(OC[C@@H]2CCCO2)c1 ZINC000160487742 432723600 /nfs/dbraw/zinc/72/36/00/432723600.db2.gz DWUOUYFYROYOBV-INIZCTEOSA-N 1 2 313.401 3.263 20 70 DGIDLO CCc1nnc(C[NH2+][C@H](CC(C)C)c2ccccc2OC)[nH]1 ZINC000160505014 432724775 /nfs/dbraw/zinc/72/47/75/432724775.db2.gz CVPGUFDGVLRFHD-CQSZACIVSA-N 1 2 302.422 3.253 20 70 DGIDLO CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159386635 432681137 /nfs/dbraw/zinc/68/11/37/432681137.db2.gz GMNZSIGPNZIFEP-MRXNPFEDSA-N 1 2 319.408 3.257 20 70 DGIDLO CC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000159411281 432681162 /nfs/dbraw/zinc/68/11/62/432681162.db2.gz UGLULFDAOBRZNN-UKRRQHHQSA-N 1 2 317.820 3.366 20 70 DGIDLO c1snnc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000161065400 432758602 /nfs/dbraw/zinc/75/86/02/432758602.db2.gz IJBIHEFUYUNKBH-UHFFFAOYSA-N 1 2 300.387 3.059 20 70 DGIDLO Cc1nc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc[nH+]1 ZINC000161139541 432762233 /nfs/dbraw/zinc/76/22/33/432762233.db2.gz PWEFZAZCVYLLMF-HOTGVXAUSA-N 1 2 301.365 3.017 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000161164331 432762495 /nfs/dbraw/zinc/76/24/95/432762495.db2.gz AAKNOUYFDDUPEN-OAHLLOKOSA-N 1 2 307.401 3.245 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000161164331 432762499 /nfs/dbraw/zinc/76/24/99/432762499.db2.gz AAKNOUYFDDUPEN-OAHLLOKOSA-N 1 2 307.401 3.245 20 70 DGIDLO COc1cc(OC)c(C[N@H+](C)Cc2ccc(F)cc2)c(OC)c1 ZINC000161148157 432762962 /nfs/dbraw/zinc/76/29/62/432762962.db2.gz OVXHJYRXRGLTSY-UHFFFAOYSA-N 1 2 319.376 3.484 20 70 DGIDLO COc1cc(OC)c(C[N@@H+](C)Cc2ccc(F)cc2)c(OC)c1 ZINC000161148157 432762965 /nfs/dbraw/zinc/76/29/65/432762965.db2.gz OVXHJYRXRGLTSY-UHFFFAOYSA-N 1 2 319.376 3.484 20 70 DGIDLO Oc1cccc(N2CC[NH+](Cc3csc(C4CC4)n3)CC2)c1 ZINC000161319515 432773846 /nfs/dbraw/zinc/77/38/46/432773846.db2.gz QNCBLFJNZXZLHA-UHFFFAOYSA-N 1 2 315.442 3.048 20 70 DGIDLO CCc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000161483599 432780755 /nfs/dbraw/zinc/78/07/55/432780755.db2.gz YHHFBSAVRMMWRI-UHFFFAOYSA-N 1 2 309.413 3.174 20 70 DGIDLO COc1ccc(C[N@H+](C)Cc2cccc3c2OCO3)c(OC)c1 ZINC000160831455 432744490 /nfs/dbraw/zinc/74/44/90/432744490.db2.gz QVHYNXVURMPSAJ-UHFFFAOYSA-N 1 2 315.369 3.065 20 70 DGIDLO COc1ccc(C[N@@H+](C)Cc2cccc3c2OCO3)c(OC)c1 ZINC000160831455 432744494 /nfs/dbraw/zinc/74/44/94/432744494.db2.gz QVHYNXVURMPSAJ-UHFFFAOYSA-N 1 2 315.369 3.065 20 70 DGIDLO CCCCc1noc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160010595 521332120 /nfs/dbraw/zinc/33/21/20/521332120.db2.gz ZNYGYVHKIYZIPR-HNNXBMFYSA-N 1 2 300.406 3.453 20 70 DGIDLO CCCCc1noc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000160010595 521332130 /nfs/dbraw/zinc/33/21/30/521332130.db2.gz ZNYGYVHKIYZIPR-HNNXBMFYSA-N 1 2 300.406 3.453 20 70 DGIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(OC(C)C)c(OC)c2)[nH]1 ZINC000160320287 522350551 /nfs/dbraw/zinc/35/05/51/522350551.db2.gz DLXLLGNWMUBKGZ-GFCCVEGCSA-N 1 2 318.421 3.014 20 70 DGIDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC3(C)C)n2)C1 ZINC000160517573 524098537 /nfs/dbraw/zinc/09/85/37/524098537.db2.gz RHMLBNRDNVXCHN-AAEUAGOBSA-N 1 2 307.463 3.360 20 70 DGIDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC3(C)C)n2)C1 ZINC000160517573 524098552 /nfs/dbraw/zinc/09/85/52/524098552.db2.gz RHMLBNRDNVXCHN-AAEUAGOBSA-N 1 2 307.463 3.360 20 70 DGIDLO CN(C)c1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cn1 ZINC000161338339 546067778 /nfs/dbraw/zinc/06/77/78/546067778.db2.gz KJWXHCWRZGPNTA-KRWDZBQOSA-N 1 2 324.453 3.483 20 70 DGIDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000160685840 197431820 /nfs/dbraw/zinc/43/18/20/197431820.db2.gz LGCXMDDYTYFKAH-HNNXBMFYSA-N 1 2 303.450 3.113 20 70 DGIDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000161000611 400737680 /nfs/dbraw/zinc/73/76/80/400737680.db2.gz MNZVVIOEEFFCFS-HOTGVXAUSA-N 1 2 322.330 3.371 20 70 DGIDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000161000708 400737731 /nfs/dbraw/zinc/73/77/31/400737731.db2.gz MNZVVIOEEFFCFS-CVEARBPZSA-N 1 2 322.330 3.371 20 70 DGIDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CC[C@H](C)C[C@@H]3C)cn21 ZINC000217182167 165376763 /nfs/dbraw/zinc/37/67/63/165376763.db2.gz DNFIIKFUCNUHNV-HEHGZKQESA-N 1 2 314.433 3.267 20 70 DGIDLO CC(C)(C)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000160240295 278530730 /nfs/dbraw/zinc/53/07/30/278530730.db2.gz ARWMUIQADALTTL-NVXWUHKLSA-N 1 2 311.429 3.349 20 70 DGIDLO CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161393288 281279830 /nfs/dbraw/zinc/27/98/30/281279830.db2.gz ZJGNZPNZOMVJJT-OCCSQVGLSA-N 1 2 315.442 3.043 20 70 DGIDLO Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160243513 432711446 /nfs/dbraw/zinc/71/14/46/432711446.db2.gz VLYRZTTWHYQGHW-IAGOWNOFSA-N 1 2 309.413 3.118 20 70 DGIDLO CCc1nnc(C[NH2+][C@H](CC)c2ccccc2OC(F)F)[nH]1 ZINC000160322051 432713069 /nfs/dbraw/zinc/71/30/69/432713069.db2.gz SHYNBVNTRIMTNH-LLVKDONJSA-N 1 2 310.348 3.209 20 70 DGIDLO CCc1nnc(C[NH2+][C@@H](CC(C)C)c2ccccc2OC)[nH]1 ZINC000160504886 432724715 /nfs/dbraw/zinc/72/47/15/432724715.db2.gz CVPGUFDGVLRFHD-AWEZNQCLSA-N 1 2 302.422 3.253 20 70 DGIDLO CC(C)(C)C(=O)N1CCC(C[N@H+](CC(F)F)C2CC2)CC1 ZINC000159544266 432686113 /nfs/dbraw/zinc/68/61/13/432686113.db2.gz FYOZVTDSIMYRDS-UHFFFAOYSA-N 1 2 302.409 3.001 20 70 DGIDLO CC(C)(C)C(=O)N1CCC(C[N@@H+](CC(F)F)C2CC2)CC1 ZINC000159544266 432686117 /nfs/dbraw/zinc/68/61/17/432686117.db2.gz FYOZVTDSIMYRDS-UHFFFAOYSA-N 1 2 302.409 3.001 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000161103803 432759619 /nfs/dbraw/zinc/75/96/19/432759619.db2.gz KZJICCVQIDFUFG-CYBMUJFWSA-N 1 2 301.365 3.070 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000161103803 432759621 /nfs/dbraw/zinc/75/96/21/432759621.db2.gz KZJICCVQIDFUFG-CYBMUJFWSA-N 1 2 301.365 3.070 20 70 DGIDLO O=C(Nc1cccc(SC(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161271709 432770522 /nfs/dbraw/zinc/77/05/22/432770522.db2.gz JDWNCYSQGNZYQH-SNVBAGLBSA-N 1 2 323.368 3.399 20 70 DGIDLO C[C@H](CSCc1ccccc1)C(=O)Nc1cc[nH+]cc1O ZINC000161503152 432783523 /nfs/dbraw/zinc/78/35/23/432783523.db2.gz ASPUEWIAOLLDEV-GFCCVEGCSA-N 1 2 302.399 3.295 20 70 DGIDLO CC(C)CCC1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000160252076 292810923 /nfs/dbraw/zinc/81/09/23/292810923.db2.gz NBPBLFGSRPUSJV-OAHLLOKOSA-N 1 2 306.454 3.129 20 70 DGIDLO CCCOc1ccc([C@@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1OC ZINC000160320942 520414997 /nfs/dbraw/zinc/41/49/97/520414997.db2.gz PGEDGXGCDFALOJ-GFCCVEGCSA-N 1 2 318.421 3.015 20 70 DGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CC1CCCCC1 ZINC000161024390 534595273 /nfs/dbraw/zinc/59/52/73/534595273.db2.gz AFWXGSMJUBOEHH-IAGOWNOFSA-N 1 2 315.461 3.407 20 70 DGIDLO CN(C)c1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cn1 ZINC000161338461 546067833 /nfs/dbraw/zinc/06/78/33/546067833.db2.gz KJWXHCWRZGPNTA-QGZVFWFLSA-N 1 2 324.453 3.483 20 70 DGIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C)o1 ZINC000160244243 197395202 /nfs/dbraw/zinc/39/52/02/197395202.db2.gz ILOINZLDUDDPLV-UHFFFAOYSA-N 1 2 308.328 3.327 20 70 DGIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(C)o1 ZINC000160244243 197395204 /nfs/dbraw/zinc/39/52/04/197395204.db2.gz ILOINZLDUDDPLV-UHFFFAOYSA-N 1 2 308.328 3.327 20 70 DGIDLO Cc1ccc(-c2nnc(SCCn3cc[nH+]c3)o2)c(C)c1 ZINC000160125276 197388067 /nfs/dbraw/zinc/38/80/67/197388067.db2.gz PFMLGGHGVONFPL-UHFFFAOYSA-N 1 2 300.387 3.342 20 70 DGIDLO CS[C@@H](C)CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000159856483 197369100 /nfs/dbraw/zinc/36/91/00/197369100.db2.gz KTVSLTZZKLXOFE-AWEZNQCLSA-N 1 2 321.490 3.220 20 70 DGIDLO CCc1cccc(C)c1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159784367 197364649 /nfs/dbraw/zinc/36/46/49/197364649.db2.gz LLPMBEJCHZWQJH-INIZCTEOSA-N 1 2 324.428 3.353 20 70 DGIDLO C[C@H](CCn1cccn1)[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000159459752 197354970 /nfs/dbraw/zinc/35/49/70/197354970.db2.gz XGRJHWJOCARXQW-OAHLLOKOSA-N 1 2 316.474 3.327 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000161049568 285120610 /nfs/dbraw/zinc/12/06/10/285120610.db2.gz VOMIEJLFLFBJLZ-GFCCVEGCSA-N 1 2 318.446 3.004 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000161049568 285120611 /nfs/dbraw/zinc/12/06/11/285120611.db2.gz VOMIEJLFLFBJLZ-GFCCVEGCSA-N 1 2 318.446 3.004 20 70 DGIDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000161000916 400737962 /nfs/dbraw/zinc/73/79/62/400737962.db2.gz MNZVVIOEEFFCFS-HZPDHXFCSA-N 1 2 322.330 3.371 20 70 DGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C1CCCCC1 ZINC000160127296 228245659 /nfs/dbraw/zinc/24/56/59/228245659.db2.gz BMLBRRDACBRAPP-HOTGVXAUSA-N 1 2 301.434 3.017 20 70 DGIDLO CCc1ccc(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000159990867 432703727 /nfs/dbraw/zinc/70/37/27/432703727.db2.gz APIXHTWRHYXYHB-UHFFFAOYSA-N 1 2 323.440 3.103 20 70 DGIDLO CC(C)COc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160116959 432706590 /nfs/dbraw/zinc/70/65/90/432706590.db2.gz SVZRNPSAIBYKJN-AWEZNQCLSA-N 1 2 313.401 3.119 20 70 DGIDLO COc1cc(OC)c(C[N@H+](C)Cc2cccc(F)c2)c(OC)c1 ZINC000160466450 432723775 /nfs/dbraw/zinc/72/37/75/432723775.db2.gz IBSFDIGGSWIUNL-UHFFFAOYSA-N 1 2 319.376 3.484 20 70 DGIDLO COc1cc(OC)c(C[N@@H+](C)Cc2cccc(F)c2)c(OC)c1 ZINC000160466450 432723777 /nfs/dbraw/zinc/72/37/77/432723777.db2.gz IBSFDIGGSWIUNL-UHFFFAOYSA-N 1 2 319.376 3.484 20 70 DGIDLO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159434367 432683128 /nfs/dbraw/zinc/68/31/28/432683128.db2.gz NNUZATJRFJYURS-CHWSQXEVSA-N 1 2 317.820 3.319 20 70 DGIDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCS[C@H](C)C1 ZINC000160585074 432730097 /nfs/dbraw/zinc/73/00/97/432730097.db2.gz NBNAMGXMJLSPNK-OLZOCXBDSA-N 1 2 303.431 3.159 20 70 DGIDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCS[C@H](C)C1 ZINC000160585074 432730102 /nfs/dbraw/zinc/73/01/02/432730102.db2.gz NBNAMGXMJLSPNK-OLZOCXBDSA-N 1 2 303.431 3.159 20 70 DGIDLO CC[C@@H]1c2ccsc2CC[N@H+]1CCCS(=O)(=O)C(C)C ZINC000160832263 432743846 /nfs/dbraw/zinc/74/38/46/432743846.db2.gz OPNULPPXGYOQGV-CQSZACIVSA-N 1 2 315.504 3.271 20 70 DGIDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CCCS(=O)(=O)C(C)C ZINC000160832263 432743849 /nfs/dbraw/zinc/74/38/49/432743849.db2.gz OPNULPPXGYOQGV-CQSZACIVSA-N 1 2 315.504 3.271 20 70 DGIDLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000159653758 292797627 /nfs/dbraw/zinc/79/76/27/292797627.db2.gz HINPKFAFGBZWAN-LBPRGKRZSA-N 1 2 323.400 3.345 20 70 DGIDLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000160067889 292806200 /nfs/dbraw/zinc/80/62/00/292806200.db2.gz STEYFVZNEUBVSE-CQSZACIVSA-N 1 2 319.836 3.264 20 70 DGIDLO O[C@H](C1CC[NH+](Cc2cc(F)ccc2F)CC1)C(F)(F)F ZINC000161409623 292834708 /nfs/dbraw/zinc/83/47/08/292834708.db2.gz YCRMZCOBKOVWOT-CYBMUJFWSA-N 1 2 309.278 3.100 20 70 DGIDLO CCc1ccc([C@H]2COCCN2Cc2c[nH+]c3ccccn23)o1 ZINC000160507398 524056114 /nfs/dbraw/zinc/05/61/14/524056114.db2.gz ZLLMECBRILJLDL-MRXNPFEDSA-N 1 2 311.385 3.063 20 70 DGIDLO Cc1nccc(NC(=O)NCc2cn3ccccc3[nH+]2)c1Cl ZINC000159535447 546054587 /nfs/dbraw/zinc/05/45/87/546054587.db2.gz VPMDEBSKZAVVCA-UHFFFAOYSA-N 1 2 315.764 3.013 20 70 DGIDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1OCC ZINC000160262660 197396386 /nfs/dbraw/zinc/39/63/86/197396386.db2.gz MPEWQOFDMDXEQW-LBPRGKRZSA-N 1 2 318.421 3.015 20 70 DGIDLO CCC(CC)NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000161155154 400739060 /nfs/dbraw/zinc/73/90/60/400739060.db2.gz CBOOXADDWAPBBR-UHFFFAOYSA-N 1 2 300.406 3.135 20 70 DGIDLO CCOc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000161369049 400740110 /nfs/dbraw/zinc/74/01/10/400740110.db2.gz PJHBFOWTHRXNSQ-UHFFFAOYSA-N 1 2 301.390 3.336 20 70 DGIDLO CC(C)CCc1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000160030158 432704977 /nfs/dbraw/zinc/70/49/77/432704977.db2.gz BWOUJZPRVKLSFO-UHFFFAOYSA-N 1 2 314.520 3.297 20 70 DGIDLO O=C(Nc1ccc(-c2ccccc2)cn1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160201374 432710217 /nfs/dbraw/zinc/71/02/17/432710217.db2.gz SKEJUXQDCQLQEJ-HNNXBMFYSA-N 1 2 318.380 3.146 20 70 DGIDLO COc1cc(C)ccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000160523450 432724680 /nfs/dbraw/zinc/72/46/80/432724680.db2.gz GDNDYMXZNANHON-UHFFFAOYSA-N 1 2 312.417 3.396 20 70 DGIDLO COc1cc(C)ccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000160523450 432724685 /nfs/dbraw/zinc/72/46/85/432724685.db2.gz GDNDYMXZNANHON-UHFFFAOYSA-N 1 2 312.417 3.396 20 70 DGIDLO CCc1ccc(CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000159404554 432681130 /nfs/dbraw/zinc/68/11/30/432681130.db2.gz LBNGNRVNBMFDPX-KRWDZBQOSA-N 1 2 323.440 3.199 20 70 DGIDLO CN(Cc1c[nH+]c2ccccn12)Cc1nc2c(s1)CCCC2 ZINC000160939461 432750654 /nfs/dbraw/zinc/75/06/54/432750654.db2.gz OVAHGAZRCCZXMH-UHFFFAOYSA-N 1 2 312.442 3.302 20 70 DGIDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1cccc(O)c1 ZINC000161091456 432760230 /nfs/dbraw/zinc/76/02/30/432760230.db2.gz MMXDEWHHIBPKHN-LLVKDONJSA-N 1 2 311.389 3.460 20 70 DGIDLO CC(C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161387699 432777068 /nfs/dbraw/zinc/77/70/68/432777068.db2.gz GGQJLIORBSAMOA-OAHLLOKOSA-N 1 2 319.449 3.075 20 70 DGIDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccnc2)cc1Cl ZINC000160777703 432740995 /nfs/dbraw/zinc/74/09/95/432740995.db2.gz IZWHKEUVRRCQPF-UHFFFAOYSA-N 1 2 303.793 3.114 20 70 DGIDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccnc2)cc1Cl ZINC000160777703 432741002 /nfs/dbraw/zinc/74/10/02/432741002.db2.gz IZWHKEUVRRCQPF-UHFFFAOYSA-N 1 2 303.793 3.114 20 70 DGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C1CCCCC1 ZINC000160126982 534593597 /nfs/dbraw/zinc/59/35/97/534593597.db2.gz BMLBRRDACBRAPP-HZPDHXFCSA-N 1 2 301.434 3.017 20 70 DGIDLO CC(C)c1noc([C@@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159808665 528507372 /nfs/dbraw/zinc/50/73/72/528507372.db2.gz OYMZUGAKBYSSBS-CYBMUJFWSA-N 1 2 302.422 3.452 20 70 DGIDLO CC(C)c1noc([C@@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159808665 528507378 /nfs/dbraw/zinc/50/73/78/528507378.db2.gz OYMZUGAKBYSSBS-CYBMUJFWSA-N 1 2 302.422 3.452 20 70 DGIDLO Cc1nccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000159477829 546053284 /nfs/dbraw/zinc/05/32/84/546053284.db2.gz AUWPJHRQKWNTBN-UHFFFAOYSA-N 1 2 319.796 3.109 20 70 DGIDLO CC(=O)N1CCCN(Cc2c[nH+]c3ccccn23)c2ccccc21 ZINC000160797588 546062315 /nfs/dbraw/zinc/06/23/15/546062315.db2.gz NRVSOJFAUGMGQP-UHFFFAOYSA-N 1 2 320.396 3.098 20 70 DGIDLO c1cn(CCSc2nnc(CCCc3ccccc3)o2)c[nH+]1 ZINC000160153794 197389728 /nfs/dbraw/zinc/38/97/28/197389728.db2.gz OOBHVTFPQIWOMJ-UHFFFAOYSA-N 1 2 314.414 3.234 20 70 DGIDLO Cc1cc(C)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C)c1 ZINC000159762977 197362909 /nfs/dbraw/zinc/36/29/09/197362909.db2.gz ONRAQZWENSKVJK-MRXNPFEDSA-N 1 2 324.428 3.407 20 70 DGIDLO CCSCC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000159436295 197352887 /nfs/dbraw/zinc/35/28/87/197352887.db2.gz JGULVRNXRCRJOY-HNNXBMFYSA-N 1 2 303.431 3.231 20 70 DGIDLO CCSCC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000159436295 197352889 /nfs/dbraw/zinc/35/28/89/197352889.db2.gz JGULVRNXRCRJOY-HNNXBMFYSA-N 1 2 303.431 3.231 20 70 DGIDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)cn21 ZINC000217182156 165376423 /nfs/dbraw/zinc/37/64/23/165376423.db2.gz DNFIIKFUCNUHNV-DVOMOZLQSA-N 1 2 314.433 3.267 20 70 DGIDLO COC(=O)C1([NH2+]CCOc2ccccc2Cl)CCCCC1 ZINC000217139209 432654892 /nfs/dbraw/zinc/65/48/92/432654892.db2.gz CXIQPPSPYKDLSK-UHFFFAOYSA-N 1 2 311.809 3.184 20 70 DGIDLO Cc1cc(C)cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159925562 432702031 /nfs/dbraw/zinc/70/20/31/432702031.db2.gz WSALCSCVZXRMCG-HNNXBMFYSA-N 1 2 310.401 3.099 20 70 DGIDLO Cc1nnc(SCCn2cc[nH+]c2)n1[C@H]1CCC[C@@H](C)C1 ZINC000160336620 432715964 /nfs/dbraw/zinc/71/59/64/432715964.db2.gz LVPOVRPDZWFOHN-OCCSQVGLSA-N 1 2 305.451 3.327 20 70 DGIDLO CCc1nnc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)[nH]1 ZINC000160375995 432717684 /nfs/dbraw/zinc/71/76/84/432717684.db2.gz QUEVBNYCDDANQO-LLVKDONJSA-N 1 2 316.302 3.290 20 70 DGIDLO Cc1cccc([C@@H](C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000159499527 432685535 /nfs/dbraw/zinc/68/55/35/432685535.db2.gz ATPXXLFWXAKPSA-MRXNPFEDSA-N 1 2 323.440 3.410 20 70 DGIDLO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1nccs1 ZINC000161071802 432758581 /nfs/dbraw/zinc/75/85/81/432758581.db2.gz GXMIJUTUTKJCRP-OLZOCXBDSA-N 1 2 319.405 3.128 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000161103932 432759369 /nfs/dbraw/zinc/75/93/69/432759369.db2.gz WKDOTOMWUGJDAV-LBPRGKRZSA-N 1 2 319.355 3.209 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000161103932 432759374 /nfs/dbraw/zinc/75/93/74/432759374.db2.gz WKDOTOMWUGJDAV-LBPRGKRZSA-N 1 2 319.355 3.209 20 70 DGIDLO CCC(CC)CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000160566789 432728995 /nfs/dbraw/zinc/72/89/95/432728995.db2.gz BXQSYCZUDBGVQK-UHFFFAOYSA-N 1 2 306.454 3.047 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000160597755 432730489 /nfs/dbraw/zinc/73/04/89/432730489.db2.gz COJZZZCSKFVEEV-UHFFFAOYSA-N 1 2 313.376 3.173 20 70 DGIDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cnc3ccccn23)CCO1 ZINC000160609411 432732632 /nfs/dbraw/zinc/73/26/32/432732632.db2.gz XWIQBCKPINARDM-GOSISDBHSA-N 1 2 307.397 3.216 20 70 DGIDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cnc3ccccn23)CCO1 ZINC000160609411 432732636 /nfs/dbraw/zinc/73/26/36/432732636.db2.gz XWIQBCKPINARDM-GOSISDBHSA-N 1 2 307.397 3.216 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000160655920 432733544 /nfs/dbraw/zinc/73/35/44/432733544.db2.gz RCKUBBJCZHWUMR-HNNXBMFYSA-N 1 2 301.365 3.221 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000160655920 432733548 /nfs/dbraw/zinc/73/35/48/432733548.db2.gz RCKUBBJCZHWUMR-HNNXBMFYSA-N 1 2 301.365 3.221 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000160651226 432734210 /nfs/dbraw/zinc/73/42/10/432734210.db2.gz OKKSAYWWIFBLEY-SNVBAGLBSA-N 1 2 307.344 3.216 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000160651226 432734216 /nfs/dbraw/zinc/73/42/16/432734216.db2.gz OKKSAYWWIFBLEY-SNVBAGLBSA-N 1 2 307.344 3.216 20 70 DGIDLO CCCCOc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160355587 520907273 /nfs/dbraw/zinc/90/72/73/520907273.db2.gz BORALJVAVIHRHK-CQSZACIVSA-N 1 2 313.401 3.263 20 70 DGIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C1CCCCC1 ZINC000160127207 534595389 /nfs/dbraw/zinc/59/53/89/534595389.db2.gz BMLBRRDACBRAPP-CVEARBPZSA-N 1 2 301.434 3.017 20 70 DGIDLO Cc1ccc(C)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159691412 524148638 /nfs/dbraw/zinc/14/86/38/524148638.db2.gz IHJMWULGXUDNNY-HNNXBMFYSA-N 1 2 310.401 3.099 20 70 DGIDLO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159716417 186137224 /nfs/dbraw/zinc/13/72/24/186137224.db2.gz MKZDECCDSRMEJD-FHWLQOOXSA-N 1 2 308.425 3.009 20 70 DGIDLO CC(C)(C)c1cnc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)o1 ZINC000161478504 292835749 /nfs/dbraw/zinc/83/57/49/292835749.db2.gz VKXUGRRXWUOOLM-CYBMUJFWSA-N 1 2 320.355 3.107 20 70 DGIDLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCCc2sccc21 ZINC000160030769 197381327 /nfs/dbraw/zinc/38/13/27/197381327.db2.gz BBVLSNBNBUWRKX-AWEZNQCLSA-N 1 2 311.410 3.132 20 70 DGIDLO C[C@H](SCC[NH+]1CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000160023331 197380118 /nfs/dbraw/zinc/38/01/18/197380118.db2.gz KNIFIIPBYGZADB-AWEZNQCLSA-N 1 2 318.442 3.468 20 70 DGIDLO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159868629 197370185 /nfs/dbraw/zinc/37/01/85/197370185.db2.gz VPCGDMRFAANBFJ-LBPRGKRZSA-N 1 2 300.406 3.206 20 70 DGIDLO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159868629 197370188 /nfs/dbraw/zinc/37/01/88/197370188.db2.gz VPCGDMRFAANBFJ-LBPRGKRZSA-N 1 2 300.406 3.206 20 70 DGIDLO Clc1cccc(-c2nnc(SCCn3cc[nH+]c3)o2)c1 ZINC000159726384 432693959 /nfs/dbraw/zinc/69/39/59/432693959.db2.gz JIKDOBJQQYGSJF-UHFFFAOYSA-N 1 2 306.778 3.379 20 70 DGIDLO CCCCSc1nnc(SCCn2cc[nH+]c2)s1 ZINC000159734690 432694143 /nfs/dbraw/zinc/69/41/43/432694143.db2.gz YTVZNWPOAXEFRM-UHFFFAOYSA-N 1 2 300.478 3.419 20 70 DGIDLO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000159831985 432697961 /nfs/dbraw/zinc/69/79/61/432697961.db2.gz PIALPDCYTQVJIN-UKRRQHHQSA-N 1 2 316.405 3.208 20 70 DGIDLO CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000159831985 432697965 /nfs/dbraw/zinc/69/79/65/432697965.db2.gz PIALPDCYTQVJIN-UKRRQHHQSA-N 1 2 316.405 3.208 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(CC(C)C)no2)n1 ZINC000159888974 432700101 /nfs/dbraw/zinc/70/01/01/432700101.db2.gz JBKSQVFLKWMPMZ-OAHLLOKOSA-N 1 2 300.406 3.309 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(CC(C)C)no2)n1 ZINC000159888974 432700103 /nfs/dbraw/zinc/70/01/03/432700103.db2.gz JBKSQVFLKWMPMZ-OAHLLOKOSA-N 1 2 300.406 3.309 20 70 DGIDLO CCc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000160367000 432717143 /nfs/dbraw/zinc/71/71/43/432717143.db2.gz MLKZQXJJPIHBMP-IAGOWNOFSA-N 1 2 324.428 3.471 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000160903181 432750210 /nfs/dbraw/zinc/75/02/10/432750210.db2.gz WKOKLOBLAIBCRK-GFCCVEGCSA-N 1 2 319.417 3.171 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000160903181 432750213 /nfs/dbraw/zinc/75/02/13/432750213.db2.gz WKOKLOBLAIBCRK-GFCCVEGCSA-N 1 2 319.417 3.171 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)n1 ZINC000160546102 432726818 /nfs/dbraw/zinc/72/68/18/432726818.db2.gz UTHGMVQIVNXSFX-INIZCTEOSA-N 1 2 313.401 3.090 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)n1 ZINC000160546102 432726821 /nfs/dbraw/zinc/72/68/21/432726821.db2.gz UTHGMVQIVNXSFX-INIZCTEOSA-N 1 2 313.401 3.090 20 70 DGIDLO CC(C)OCc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160561097 432729025 /nfs/dbraw/zinc/72/90/25/432729025.db2.gz NALWBSBWKPIICN-HNNXBMFYSA-N 1 2 313.401 3.009 20 70 DGIDLO CCOCCC1(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)CCC1 ZINC000160619452 432731578 /nfs/dbraw/zinc/73/15/78/432731578.db2.gz GCZZTECAFDRIIA-UHFFFAOYSA-N 1 2 321.469 3.070 20 70 DGIDLO CCOCCC1(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)CCC1 ZINC000160619452 432731579 /nfs/dbraw/zinc/73/15/79/432731579.db2.gz GCZZTECAFDRIIA-UHFFFAOYSA-N 1 2 321.469 3.070 20 70 DGIDLO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2noc(-c3ccsc3)n2)c1 ZINC000160673414 432735340 /nfs/dbraw/zinc/73/53/40/432735340.db2.gz GEWNWNGORRGPSJ-ZDUSSCGKSA-N 1 2 300.387 3.463 20 70 DGIDLO c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2noc(-c3ccsc3)n2)c1 ZINC000160673414 432735345 /nfs/dbraw/zinc/73/53/45/432735345.db2.gz GEWNWNGORRGPSJ-ZDUSSCGKSA-N 1 2 300.387 3.463 20 70 DGIDLO CCCn1c(C)nnc1C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000160686504 432736074 /nfs/dbraw/zinc/73/60/74/432736074.db2.gz BYWKBFRQWSFSEX-ZDUSSCGKSA-N 1 2 302.422 3.285 20 70 DGIDLO CCCn1c(C)nnc1C[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000160686504 432736078 /nfs/dbraw/zinc/73/60/78/432736078.db2.gz BYWKBFRQWSFSEX-ZDUSSCGKSA-N 1 2 302.422 3.285 20 70 DGIDLO CCn1ccnc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000160709845 432737668 /nfs/dbraw/zinc/73/76/68/432737668.db2.gz GIABKOUXSMYNPK-AWEZNQCLSA-N 1 2 305.447 3.146 20 70 DGIDLO CCn1ccnc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000160709845 432737672 /nfs/dbraw/zinc/73/76/72/432737672.db2.gz GIABKOUXSMYNPK-AWEZNQCLSA-N 1 2 305.447 3.146 20 70 DGIDLO CCn1cc[nH+]c1CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000160709845 432737674 /nfs/dbraw/zinc/73/76/74/432737674.db2.gz GIABKOUXSMYNPK-AWEZNQCLSA-N 1 2 305.447 3.146 20 70 DGIDLO CN(C)C(=O)c1ccc(C[N@H+](C)Cc2ccccc2Cl)[nH]1 ZINC000160817395 432744332 /nfs/dbraw/zinc/74/43/32/432744332.db2.gz FZPVSYQAGYBGGM-UHFFFAOYSA-N 1 2 305.809 3.002 20 70 DGIDLO CN(C)C(=O)c1ccc(C[N@@H+](C)Cc2ccccc2Cl)[nH]1 ZINC000160817395 432744335 /nfs/dbraw/zinc/74/43/35/432744335.db2.gz FZPVSYQAGYBGGM-UHFFFAOYSA-N 1 2 305.809 3.002 20 70 DGIDLO Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(C)c1 ZINC000159734865 186138714 /nfs/dbraw/zinc/13/87/14/186138714.db2.gz KBRUQKRHMWSWOW-HNNXBMFYSA-N 1 2 310.401 3.099 20 70 DGIDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1OCC ZINC000160262764 197396375 /nfs/dbraw/zinc/39/63/75/197396375.db2.gz MPEWQOFDMDXEQW-GFCCVEGCSA-N 1 2 318.421 3.015 20 70 DGIDLO CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccc(F)cc1 ZINC000160183470 197391372 /nfs/dbraw/zinc/39/13/72/197391372.db2.gz KXSSFWAPUHQCDU-UHFFFAOYSA-N 1 2 317.393 3.093 20 70 DGIDLO Fc1ccccc1-c1cnc(CSCC[NH+]2CCOCC2)o1 ZINC000159809551 197366604 /nfs/dbraw/zinc/36/66/04/197366604.db2.gz SYEKGOLMYXRWEY-UHFFFAOYSA-N 1 2 322.405 3.046 20 70 DGIDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2nccs2)cc1 ZINC000159423017 197352298 /nfs/dbraw/zinc/35/22/98/197352298.db2.gz RAKANOUIWVOPTR-RYUDHWBXSA-N 1 2 324.471 3.349 20 70 DGIDLO COc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1F ZINC000161379475 400740197 /nfs/dbraw/zinc/74/01/97/400740197.db2.gz CYDFGBSAHCVHOG-UHFFFAOYSA-N 1 2 305.353 3.085 20 70 DGIDLO Fc1ccc(/C=C\CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000217899777 400950732 /nfs/dbraw/zinc/95/07/32/400950732.db2.gz KFGFIYBNXZKYER-RQOWECAXSA-N 1 2 311.404 3.052 20 70 DGIDLO CC(C)c1noc(N(C)Cc2[nH+]ccn2Cc2ccccc2)n1 ZINC000159731121 432694243 /nfs/dbraw/zinc/69/42/43/432694243.db2.gz LSWJBDBORQNYOW-UHFFFAOYSA-N 1 2 311.389 3.074 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(F)c2)n1 ZINC000159909665 432701813 /nfs/dbraw/zinc/70/18/13/432701813.db2.gz OAOFLYFVRGXNAI-QGZVFWFLSA-N 1 2 313.376 3.305 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(F)c2)n1 ZINC000159909665 432701816 /nfs/dbraw/zinc/70/18/16/432701816.db2.gz OAOFLYFVRGXNAI-QGZVFWFLSA-N 1 2 313.376 3.305 20 70 DGIDLO COc1ccc2[nH+]c(C)nc(N[C@H]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000160422796 432719280 /nfs/dbraw/zinc/71/92/80/432719280.db2.gz PQFMJXGORNUTLM-SUMWQHHRSA-N 1 2 313.401 3.316 20 70 DGIDLO O=C1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CCN1 ZINC000160492107 432723570 /nfs/dbraw/zinc/72/35/70/432723570.db2.gz BUINWXMFKQGQAP-UHFFFAOYSA-N 1 2 306.818 3.000 20 70 DGIDLO O=C1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CCN1 ZINC000160492107 432723574 /nfs/dbraw/zinc/72/35/74/432723574.db2.gz BUINWXMFKQGQAP-UHFFFAOYSA-N 1 2 306.818 3.000 20 70 DGIDLO C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159434275 432682822 /nfs/dbraw/zinc/68/28/22/432682822.db2.gz NNUZATJRFJYURS-QWHCGFSZSA-N 1 2 317.820 3.319 20 70 DGIDLO Cc1cccc([C@H](C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000159499666 432685089 /nfs/dbraw/zinc/68/50/89/432685089.db2.gz ATPXXLFWXAKPSA-INIZCTEOSA-N 1 2 323.440 3.410 20 70 DGIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C)o1 ZINC000160645009 432733925 /nfs/dbraw/zinc/73/39/25/432733925.db2.gz FVFLBTQHLAWOKX-UHFFFAOYSA-N 1 2 302.374 3.057 20 70 DGIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C)o1 ZINC000160645009 432733929 /nfs/dbraw/zinc/73/39/29/432733929.db2.gz FVFLBTQHLAWOKX-UHFFFAOYSA-N 1 2 302.374 3.057 20 70 DGIDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CCCc2sccc21 ZINC000160470537 292815568 /nfs/dbraw/zinc/81/55/68/292815568.db2.gz HEUHCNLSMAEYFO-KTRBRXNASA-N 1 2 301.415 3.172 20 70 DGIDLO Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160243781 534764997 /nfs/dbraw/zinc/76/49/97/534764997.db2.gz VLYRZTTWHYQGHW-DLBZAZTESA-N 1 2 309.413 3.118 20 70 DGIDLO CS[C@H](C)CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000159851369 197368984 /nfs/dbraw/zinc/36/89/84/197368984.db2.gz XYNSOKMEGPGIBG-CQSZACIVSA-N 1 2 321.490 3.076 20 70 DGIDLO CCCCSCCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159497935 197357939 /nfs/dbraw/zinc/35/79/39/197357939.db2.gz NXRYRLPYCGJAGR-UHFFFAOYSA-N 1 2 321.490 3.221 20 70 DGIDLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cs1 ZINC000159805396 432698358 /nfs/dbraw/zinc/69/83/58/432698358.db2.gz OPFNAYQMUZPFOF-HNNXBMFYSA-N 1 2 316.430 3.142 20 70 DGIDLO CC(=O)Nc1nc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)cs1 ZINC000159805396 432698361 /nfs/dbraw/zinc/69/83/61/432698361.db2.gz OPFNAYQMUZPFOF-HNNXBMFYSA-N 1 2 316.430 3.142 20 70 DGIDLO CC(=O)c1c(C)cc(C)c(CSCC[NH+]2CCOCC2)c1C ZINC000159876944 432699824 /nfs/dbraw/zinc/69/98/24/432699824.db2.gz BJRQJXKMAYFGPH-UHFFFAOYSA-N 1 2 321.486 3.380 20 70 DGIDLO C[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000159994112 432703377 /nfs/dbraw/zinc/70/33/77/432703377.db2.gz PFRJJXKLNAIUNH-GOEBONIOSA-N 1 2 301.434 3.124 20 70 DGIDLO CCCCc1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160010482 432704661 /nfs/dbraw/zinc/70/46/61/432704661.db2.gz ZNYGYVHKIYZIPR-OAHLLOKOSA-N 1 2 300.406 3.453 20 70 DGIDLO CCCCc1noc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000160010482 432704663 /nfs/dbraw/zinc/70/46/63/432704663.db2.gz ZNYGYVHKIYZIPR-OAHLLOKOSA-N 1 2 300.406 3.453 20 70 DGIDLO O=C(NC1CCC(c2ccccc2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159553500 432686647 /nfs/dbraw/zinc/68/66/47/432686647.db2.gz DCLNIGCLCYLZAQ-LXPRWKDFSA-N 1 2 323.440 3.288 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000161104430 432760075 /nfs/dbraw/zinc/76/00/75/432760075.db2.gz OAPTWNNJWRPQEH-AWEZNQCLSA-N 1 2 315.392 3.378 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000161104430 432760084 /nfs/dbraw/zinc/76/00/84/432760084.db2.gz OAPTWNNJWRPQEH-AWEZNQCLSA-N 1 2 315.392 3.378 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000161183297 432765000 /nfs/dbraw/zinc/76/50/00/432765000.db2.gz CDDXCIHELVXGGV-CYBMUJFWSA-N 1 2 309.373 3.110 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000161183297 432765003 /nfs/dbraw/zinc/76/50/03/432765003.db2.gz CDDXCIHELVXGGV-CYBMUJFWSA-N 1 2 309.373 3.110 20 70 DGIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000161300255 432771563 /nfs/dbraw/zinc/77/15/63/432771563.db2.gz JHHGZMUJUYDBJV-OAHLLOKOSA-N 1 2 317.477 3.418 20 70 DGIDLO CCc1cc(N[C@H](CO)CC(C)(C)C)nc(-c2ccncc2)[nH+]1 ZINC000161437530 432780001 /nfs/dbraw/zinc/78/00/01/432780001.db2.gz CSJAVFQTFSVOOS-HNNXBMFYSA-N 1 2 314.433 3.310 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+](CC)Cc2ccc(Cl)s2)n1 ZINC000160551073 432727015 /nfs/dbraw/zinc/72/70/15/432727015.db2.gz IPEHYKTZXBFTSY-UHFFFAOYSA-N 1 2 311.838 3.482 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+](CC)Cc2ccc(Cl)s2)n1 ZINC000160551073 432727020 /nfs/dbraw/zinc/72/70/20/432727020.db2.gz IPEHYKTZXBFTSY-UHFFFAOYSA-N 1 2 311.838 3.482 20 70 DGIDLO Cc1cncc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000160659720 432733524 /nfs/dbraw/zinc/73/35/24/432733524.db2.gz RXJTWAPFSIDGOK-FARCUNLSSA-N 1 2 304.353 3.228 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000160650525 432734339 /nfs/dbraw/zinc/73/43/39/432734339.db2.gz HQKGCRNVTDDPAN-LBPRGKRZSA-N 1 2 319.417 3.171 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000160650525 432734341 /nfs/dbraw/zinc/73/43/41/432734341.db2.gz HQKGCRNVTDDPAN-LBPRGKRZSA-N 1 2 319.417 3.171 20 70 DGIDLO CC(C)n1cc[nH+]c1CN(C)Cc1cnn(-c2ccccc2)c1 ZINC000160720189 432737889 /nfs/dbraw/zinc/73/78/89/432737889.db2.gz DLKYACCAIXIUFZ-UHFFFAOYSA-N 1 2 309.417 3.282 20 70 DGIDLO CC[N@H+](Cc1noc(C2CCOCC2)n1)Cc1ccccc1C ZINC000160780881 432740394 /nfs/dbraw/zinc/74/03/94/432740394.db2.gz WIWBQEALNWWMNL-UHFFFAOYSA-N 1 2 315.417 3.294 20 70 DGIDLO CC[N@@H+](Cc1noc(C2CCOCC2)n1)Cc1ccccc1C ZINC000160780881 432740398 /nfs/dbraw/zinc/74/03/98/432740398.db2.gz WIWBQEALNWWMNL-UHFFFAOYSA-N 1 2 315.417 3.294 20 70 DGIDLO CC(C)(C)SCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161471449 432782047 /nfs/dbraw/zinc/78/20/47/432782047.db2.gz ZMQGWKQSJSJNCM-CQSZACIVSA-N 1 2 321.490 3.088 20 70 DGIDLO CC(=O)Nc1ccccc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000160320134 292811948 /nfs/dbraw/zinc/81/19/48/292811948.db2.gz LKMZBXCMFKSKCA-UHFFFAOYSA-N 1 2 306.369 3.443 20 70 DGIDLO COC(=O)c1occc1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160301720 522409997 /nfs/dbraw/zinc/40/99/97/522409997.db2.gz VTZJGXMXCBFZRO-OAHLLOKOSA-N 1 2 300.358 3.107 20 70 DGIDLO COC(=O)c1occc1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160301720 522410012 /nfs/dbraw/zinc/41/00/12/522410012.db2.gz VTZJGXMXCBFZRO-OAHLLOKOSA-N 1 2 300.358 3.107 20 70 DGIDLO Cc1cccc(N2CCN(C(=O)CC3CCCCC3)CC2)[nH+]1 ZINC000159566130 186127348 /nfs/dbraw/zinc/12/73/48/186127348.db2.gz HLJGGMSZJSQWPC-UHFFFAOYSA-N 1 2 301.434 3.009 20 70 DGIDLO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159716170 186137454 /nfs/dbraw/zinc/13/74/54/186137454.db2.gz MKZDECCDSRMEJD-QYZOEREBSA-N 1 2 308.425 3.009 20 70 DGIDLO C[C@H](c1nc(C2CC2)no1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159868762 197369623 /nfs/dbraw/zinc/36/96/23/197369623.db2.gz VPCGDMRFAANBFJ-GFCCVEGCSA-N 1 2 300.406 3.206 20 70 DGIDLO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159868762 197369625 /nfs/dbraw/zinc/36/96/25/197369625.db2.gz VPCGDMRFAANBFJ-GFCCVEGCSA-N 1 2 300.406 3.206 20 70 DGIDLO CS[C@@H](C)CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000159851523 197368953 /nfs/dbraw/zinc/36/89/53/197368953.db2.gz XYNSOKMEGPGIBG-AWEZNQCLSA-N 1 2 321.490 3.076 20 70 DGIDLO c1sc(C2CCCC2)nc1CSCC[NH+]1CCOCC1 ZINC000159893028 432699386 /nfs/dbraw/zinc/69/93/86/432699386.db2.gz HPEXTTOSCYQXBM-UHFFFAOYSA-N 1 2 312.504 3.366 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccco3)no2)n1 ZINC000160121740 432707987 /nfs/dbraw/zinc/70/79/87/432707987.db2.gz IBAZQHYVJVKRFL-CQSZACIVSA-N 1 2 310.357 3.370 20 70 DGIDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccco3)no2)n1 ZINC000160121740 432707994 /nfs/dbraw/zinc/70/79/94/432707994.db2.gz IBAZQHYVJVKRFL-CQSZACIVSA-N 1 2 310.357 3.370 20 70 DGIDLO CC[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccc(Cl)s1 ZINC000160550934 432726356 /nfs/dbraw/zinc/72/63/56/432726356.db2.gz WYLMJDOZSQPXKW-UHFFFAOYSA-N 1 2 323.911 3.437 20 70 DGIDLO CC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1ccc(Cl)s1 ZINC000160550934 432726359 /nfs/dbraw/zinc/72/63/59/432726359.db2.gz WYLMJDOZSQPXKW-UHFFFAOYSA-N 1 2 323.911 3.437 20 70 DGIDLO CCC(CC)(CC)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159579944 432688516 /nfs/dbraw/zinc/68/85/16/432688516.db2.gz MRWDXZIYKCTCMQ-UHFFFAOYSA-N 1 2 318.465 3.130 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000160923531 432749686 /nfs/dbraw/zinc/74/96/86/432749686.db2.gz BBSPLRMXQCABOC-UHFFFAOYSA-N 1 2 313.438 3.003 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000160923531 432749688 /nfs/dbraw/zinc/74/96/88/432749688.db2.gz BBSPLRMXQCABOC-UHFFFAOYSA-N 1 2 313.438 3.003 20 70 DGIDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(F)cc1F ZINC000161012508 432754136 /nfs/dbraw/zinc/75/41/36/432754136.db2.gz ZILBKSXBAKNDMY-HZPDHXFCSA-N 1 2 304.340 3.232 20 70 DGIDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(F)cc1F ZINC000161012384 432754189 /nfs/dbraw/zinc/75/41/89/432754189.db2.gz ZILBKSXBAKNDMY-JKSUJKDBSA-N 1 2 304.340 3.232 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000161162018 432763453 /nfs/dbraw/zinc/76/34/53/432763453.db2.gz VPSCDABJWOPXJP-GFCCVEGCSA-N 1 2 319.355 3.209 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000161162018 432763456 /nfs/dbraw/zinc/76/34/56/432763456.db2.gz VPSCDABJWOPXJP-GFCCVEGCSA-N 1 2 319.355 3.209 20 70 DGIDLO CCNC(=O)C(C)(C)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000161371853 432777020 /nfs/dbraw/zinc/77/70/20/432777020.db2.gz NJKUPLOMLWZIGX-UHFFFAOYSA-N 1 2 303.381 3.257 20 70 DGIDLO CCCc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160560668 432728249 /nfs/dbraw/zinc/72/82/49/432728249.db2.gz YFYGDOLEWXPGQT-INIZCTEOSA-N 1 2 324.428 3.435 20 70 DGIDLO CCCOc1ccc([C@H](C)[NH2+]Cc2nnc(CC)[nH]2)cc1OC ZINC000160321067 520429072 /nfs/dbraw/zinc/42/90/72/520429072.db2.gz PGEDGXGCDFALOJ-LBPRGKRZSA-N 1 2 318.421 3.015 20 70 DGIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OC(C)C)c(OC)c2)[nH]1 ZINC000160320152 522348995 /nfs/dbraw/zinc/34/89/95/522348995.db2.gz DLXLLGNWMUBKGZ-LBPRGKRZSA-N 1 2 318.421 3.014 20 70 DGIDLO Fc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000216687240 546262827 /nfs/dbraw/zinc/26/28/27/546262827.db2.gz MMNDEQAVINRRPY-GOSISDBHSA-N 1 2 319.351 3.417 20 70 DGIDLO Fc1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000216687240 546262828 /nfs/dbraw/zinc/26/28/28/546262828.db2.gz MMNDEQAVINRRPY-GOSISDBHSA-N 1 2 319.351 3.417 20 70 DGIDLO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159718404 186137497 /nfs/dbraw/zinc/13/74/97/186137497.db2.gz MKZDECCDSRMEJD-GUDVDZBRSA-N 1 2 308.425 3.009 20 70 DGIDLO CCCCc1noc(C[N@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159788355 197364570 /nfs/dbraw/zinc/36/45/70/197364570.db2.gz OPKSBNMIOSIEJL-UHFFFAOYSA-N 1 2 302.422 3.110 20 70 DGIDLO CCCCc1noc(C[N@@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159788355 197364572 /nfs/dbraw/zinc/36/45/72/197364572.db2.gz OPKSBNMIOSIEJL-UHFFFAOYSA-N 1 2 302.422 3.110 20 70 DGIDLO Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160243658 228245211 /nfs/dbraw/zinc/24/52/11/228245211.db2.gz VLYRZTTWHYQGHW-IRXDYDNUSA-N 1 2 309.413 3.118 20 70 DGIDLO CC(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000160170800 276048583 /nfs/dbraw/zinc/04/85/83/276048583.db2.gz OAUZHHQRUIGFPJ-LJQANCHMSA-N 1 2 323.440 3.334 20 70 DGIDLO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000160170800 276048585 /nfs/dbraw/zinc/04/85/85/276048585.db2.gz OAUZHHQRUIGFPJ-LJQANCHMSA-N 1 2 323.440 3.334 20 70 DGIDLO CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161393168 280619859 /nfs/dbraw/zinc/61/98/59/280619859.db2.gz ZJGNZPNZOMVJJT-TZMCWYRMSA-N 1 2 315.442 3.043 20 70 DGIDLO O=C1C[N@H+](Cc2ccc(-c3ccccc3Cl)s2)CCN1 ZINC000160484718 432722652 /nfs/dbraw/zinc/72/26/52/432722652.db2.gz YSUTUYIAQBWGEL-UHFFFAOYSA-N 1 2 306.818 3.000 20 70 DGIDLO O=C1C[N@@H+](Cc2ccc(-c3ccccc3Cl)s2)CCN1 ZINC000160484718 432722656 /nfs/dbraw/zinc/72/26/56/432722656.db2.gz YSUTUYIAQBWGEL-UHFFFAOYSA-N 1 2 306.818 3.000 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000161049430 432756201 /nfs/dbraw/zinc/75/62/01/432756201.db2.gz VOMIEJLFLFBJLZ-LBPRGKRZSA-N 1 2 318.446 3.004 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000161049430 432756202 /nfs/dbraw/zinc/75/62/02/432756202.db2.gz VOMIEJLFLFBJLZ-LBPRGKRZSA-N 1 2 318.446 3.004 20 70 DGIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCCC3)cc2C)CC1 ZINC000161077847 432758373 /nfs/dbraw/zinc/75/83/73/432758373.db2.gz BFVJCLZYYTVPQO-UHFFFAOYSA-N 1 2 315.461 3.454 20 70 DGIDLO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000161384605 432775768 /nfs/dbraw/zinc/77/57/68/432775768.db2.gz LEOKZRWTOIOVTO-ZDUSSCGKSA-N 1 2 306.837 3.030 20 70 DGIDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC000160753375 432738591 /nfs/dbraw/zinc/73/85/91/432738591.db2.gz QMZZNMRFAQBTMV-GDBMZVCRSA-N 1 2 303.450 3.370 20 70 DGIDLO CC[C@H]1c2ccsc2CC[N@H+]1CCCS(=O)(=O)C(C)C ZINC000160832380 432744315 /nfs/dbraw/zinc/74/43/15/432744315.db2.gz OPNULPPXGYOQGV-AWEZNQCLSA-N 1 2 315.504 3.271 20 70 DGIDLO CC[C@H]1c2ccsc2CC[N@@H+]1CCCS(=O)(=O)C(C)C ZINC000160832380 432744317 /nfs/dbraw/zinc/74/43/17/432744317.db2.gz OPNULPPXGYOQGV-AWEZNQCLSA-N 1 2 315.504 3.271 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCc3sccc3[C@@H]2CC)n1 ZINC000160832557 432744684 /nfs/dbraw/zinc/74/46/84/432744684.db2.gz VHRSYEAGOKHXSI-ZDUSSCGKSA-N 1 2 303.431 3.316 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCc3sccc3[C@@H]2CC)n1 ZINC000160832557 432744689 /nfs/dbraw/zinc/74/46/89/432744689.db2.gz VHRSYEAGOKHXSI-ZDUSSCGKSA-N 1 2 303.431 3.316 20 70 DGIDLO CCn1nccc1C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000159764788 292800178 /nfs/dbraw/zinc/80/01/78/292800178.db2.gz VOPIQHDKKMGDHU-UHFFFAOYSA-N 1 2 318.852 3.187 20 70 DGIDLO Cc1noc(Cl)c1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000159555186 292795059 /nfs/dbraw/zinc/79/50/59/292795059.db2.gz VONQGMGJDDIESP-UHFFFAOYSA-N 1 2 316.748 3.003 20 70 DGIDLO COc1ccc2c(c1)N(Cc1c[nH+]c3ccccn13)C[C@H](C)O2 ZINC000160801799 292822659 /nfs/dbraw/zinc/82/26/59/292822659.db2.gz WSCMBAQYMMMOLK-ZDUSSCGKSA-N 1 2 309.369 3.130 20 70 DGIDLO CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160412902 521775847 /nfs/dbraw/zinc/77/58/47/521775847.db2.gz FPEJNJDUNKXSSO-UONOGXRCSA-N 1 2 313.401 3.262 20 70 DGIDLO Cc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)nc1 ZINC000161217827 292831696 /nfs/dbraw/zinc/83/16/96/292831696.db2.gz SJECTULKIIQAPF-UHFFFAOYSA-N 1 2 301.821 3.366 20 70 DGIDLO CC(C)(C)[NH+]1CCC(NC(=O)CCc2ccc(F)cc2F)CC1 ZINC000159720407 186137410 /nfs/dbraw/zinc/13/74/10/186137410.db2.gz XLWCPCPNAAAZLP-UHFFFAOYSA-N 1 2 324.415 3.277 20 70 DGIDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160104725 197386073 /nfs/dbraw/zinc/38/60/73/197386073.db2.gz LDEYLYUWPSRKMS-KBPBESRZSA-N 1 2 323.396 3.378 20 70 DGIDLO CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000159849723 197369233 /nfs/dbraw/zinc/36/92/33/197369233.db2.gz WWHDHJKWJSRMII-UHFFFAOYSA-N 1 2 307.825 3.277 20 70 DGIDLO CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000159849723 197369236 /nfs/dbraw/zinc/36/92/36/197369236.db2.gz WWHDHJKWJSRMII-UHFFFAOYSA-N 1 2 307.825 3.277 20 70 DGIDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(F)cc1F ZINC000161000805 400737490 /nfs/dbraw/zinc/73/74/90/400737490.db2.gz MNZVVIOEEFFCFS-JKSUJKDBSA-N 1 2 322.330 3.371 20 70 DGIDLO CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161393525 281280311 /nfs/dbraw/zinc/28/03/11/281280311.db2.gz ZJGNZPNZOMVJJT-JSGCOSHPSA-N 1 2 315.442 3.043 20 70 DGIDLO Cc1csc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000159487238 432684720 /nfs/dbraw/zinc/68/47/20/432684720.db2.gz KUWGNPVODHBWMW-QGZVFWFLSA-N 1 2 300.427 3.125 20 70 DGIDLO Cc1csc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000159487238 432684722 /nfs/dbraw/zinc/68/47/22/432684722.db2.gz KUWGNPVODHBWMW-QGZVFWFLSA-N 1 2 300.427 3.125 20 70 DGIDLO Fc1ccccc1[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000159630964 432690948 /nfs/dbraw/zinc/69/09/48/432690948.db2.gz VZVLETGRRDUVFR-QGZVFWFLSA-N 1 2 311.360 3.047 20 70 DGIDLO COCc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)o1 ZINC000160920540 432748827 /nfs/dbraw/zinc/74/88/27/432748827.db2.gz FYZSXAPCDYAFEI-UHFFFAOYSA-N 1 2 316.401 3.113 20 70 DGIDLO COCc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)o1 ZINC000160920540 432748830 /nfs/dbraw/zinc/74/88/30/432748830.db2.gz FYZSXAPCDYAFEI-UHFFFAOYSA-N 1 2 316.401 3.113 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000161081364 432758245 /nfs/dbraw/zinc/75/82/45/432758245.db2.gz XSTIOCAYMXXJFP-LBPRGKRZSA-N 1 2 319.355 3.209 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000161081364 432758247 /nfs/dbraw/zinc/75/82/47/432758247.db2.gz XSTIOCAYMXXJFP-LBPRGKRZSA-N 1 2 319.355 3.209 20 70 DGIDLO Cc1nc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc[nH+]1 ZINC000161139435 432761093 /nfs/dbraw/zinc/76/10/93/432761093.db2.gz PWEFZAZCVYLLMF-CVEARBPZSA-N 1 2 301.365 3.017 20 70 DGIDLO Cc1ccc2cc(C(=O)N3CCC(n4cc[nH+]c4)CC3)ccc2n1 ZINC000161149865 432762904 /nfs/dbraw/zinc/76/29/04/432762904.db2.gz YJBSWYPHQZMDAV-UHFFFAOYSA-N 1 2 320.396 3.217 20 70 DGIDLO Cc1occc1C[N@@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000161474730 432780804 /nfs/dbraw/zinc/78/08/04/432780804.db2.gz UVXQGKZDAZVFSX-UHFFFAOYSA-N 1 2 317.414 3.135 20 70 DGIDLO Cc1occc1C[N@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000161474730 432780807 /nfs/dbraw/zinc/78/08/07/432780807.db2.gz UVXQGKZDAZVFSX-UHFFFAOYSA-N 1 2 317.414 3.135 20 70 DGIDLO CCc1cc(N[C@@H]2CCOC(C)(C)C2)nc(-c2ccncc2)[nH+]1 ZINC000160658429 432734396 /nfs/dbraw/zinc/73/43/96/432734396.db2.gz HLYLGTSNDVTCCO-OAHLLOKOSA-N 1 2 312.417 3.471 20 70 DGIDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCC(C)(C)C)CC1 ZINC000160685969 432735825 /nfs/dbraw/zinc/73/58/25/432735825.db2.gz LGCXMDDYTYFKAH-OAHLLOKOSA-N 1 2 303.450 3.113 20 70 DGIDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cncs2)CC1 ZINC000159763633 292800130 /nfs/dbraw/zinc/80/01/30/292800130.db2.gz JVAYDGCQTYCDBU-UHFFFAOYSA-N 1 2 307.850 3.427 20 70 DGIDLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159419013 526069903 /nfs/dbraw/zinc/06/99/03/526069903.db2.gz ZIORKWBBYFIKNS-JSGCOSHPSA-N 1 2 317.820 3.319 20 70 DGIDLO CCc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159938332 197374855 /nfs/dbraw/zinc/37/48/55/197374855.db2.gz PIKSYXSZPGSJCV-MRXNPFEDSA-N 1 2 310.401 3.044 20 70 DGIDLO Cc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000159731308 432694095 /nfs/dbraw/zinc/69/40/95/432694095.db2.gz BZECLOPQCORTSQ-HNNXBMFYSA-N 1 2 310.401 3.099 20 70 DGIDLO CC[N@H+](Cc1sccc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159904906 432701058 /nfs/dbraw/zinc/70/10/58/432701058.db2.gz NZRDCDXACPSYAI-UHFFFAOYSA-N 1 2 313.426 3.315 20 70 DGIDLO CC[N@@H+](Cc1sccc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159904906 432701063 /nfs/dbraw/zinc/70/10/63/432701063.db2.gz NZRDCDXACPSYAI-UHFFFAOYSA-N 1 2 313.426 3.315 20 70 DGIDLO Cc1cccc([C@H]2CCCN2Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000160238751 432711408 /nfs/dbraw/zinc/71/14/08/432711408.db2.gz PAPHQFNTHYYEOG-CQSZACIVSA-N 1 2 324.350 3.486 20 70 DGIDLO CCCCOc1ccccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160258234 432713742 /nfs/dbraw/zinc/71/37/42/432713742.db2.gz LDKOSOSFJACHHW-CQSZACIVSA-N 1 2 313.401 3.263 20 70 DGIDLO CCCCOc1ccccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160258347 432714411 /nfs/dbraw/zinc/71/44/11/432714411.db2.gz LDKOSOSFJACHHW-AWEZNQCLSA-N 1 2 313.401 3.263 20 70 DGIDLO Cc1cc(NCc2nnc(C3CC3)n2C2CC2)nc(C2CC2)[nH+]1 ZINC000160334771 432715552 /nfs/dbraw/zinc/71/55/52/432715552.db2.gz NQNHXORSFOZWAS-UHFFFAOYSA-N 1 2 310.405 3.078 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000160903066 432749226 /nfs/dbraw/zinc/74/92/26/432749226.db2.gz WKOKLOBLAIBCRK-LBPRGKRZSA-N 1 2 319.417 3.171 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000160903066 432749230 /nfs/dbraw/zinc/74/92/30/432749230.db2.gz WKOKLOBLAIBCRK-LBPRGKRZSA-N 1 2 319.417 3.171 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2cccc(F)c2)C2CC2)n1 ZINC000160923691 432750231 /nfs/dbraw/zinc/75/02/31/432750231.db2.gz SOHBUMZHZSSORX-UHFFFAOYSA-N 1 2 301.365 3.048 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2cccc(F)c2)C2CC2)n1 ZINC000160923691 432750234 /nfs/dbraw/zinc/75/02/34/432750234.db2.gz SOHBUMZHZSSORX-UHFFFAOYSA-N 1 2 301.365 3.048 20 70 DGIDLO Oc1ccc(N2CC[NH+](Cc3csc(C4CC4)n3)CC2)cc1 ZINC000161259831 432770337 /nfs/dbraw/zinc/77/03/37/432770337.db2.gz YZVSNVPEIUPWPT-UHFFFAOYSA-N 1 2 315.442 3.048 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccc(F)cc2)C2CC2)n1 ZINC000160581256 432730972 /nfs/dbraw/zinc/73/09/72/432730972.db2.gz DDNGJLVJCFBGNZ-UHFFFAOYSA-N 1 2 301.365 3.048 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccc(F)cc2)C2CC2)n1 ZINC000160581256 432730974 /nfs/dbraw/zinc/73/09/74/432730974.db2.gz DDNGJLVJCFBGNZ-UHFFFAOYSA-N 1 2 301.365 3.048 20 70 DGIDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1nnc2ccccn21 ZINC000160706042 432736989 /nfs/dbraw/zinc/73/69/89/432736989.db2.gz MSNQBBQJLBJPST-SNVBAGLBSA-N 1 2 304.756 3.373 20 70 DGIDLO Cn1cnnc1C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000160778613 432740819 /nfs/dbraw/zinc/74/08/19/432740819.db2.gz PCGOTFGNXYNQRI-UHFFFAOYSA-N 1 2 306.413 3.060 20 70 DGIDLO Cn1cnnc1C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000160778613 432740823 /nfs/dbraw/zinc/74/08/23/432740823.db2.gz PCGOTFGNXYNQRI-UHFFFAOYSA-N 1 2 306.413 3.060 20 70 DGIDLO COc1ccc(C(C)(C)C[NH2+][C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000160835210 432743591 /nfs/dbraw/zinc/74/35/91/432743591.db2.gz SOWRBTDQNROSDW-CYBMUJFWSA-N 1 2 307.434 3.293 20 70 DGIDLO CC(C)CCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159462742 292793082 /nfs/dbraw/zinc/79/30/82/292793082.db2.gz ROFHUAZICUIGHV-CQSZACIVSA-N 1 2 309.479 3.182 20 70 DGIDLO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159716038 186137198 /nfs/dbraw/zinc/13/71/98/186137198.db2.gz MKZDECCDSRMEJD-CEXWTWQISA-N 1 2 308.425 3.009 20 70 DGIDLO CC[N@H+](Cc1ccc(C)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159905081 432701563 /nfs/dbraw/zinc/70/15/63/432701563.db2.gz JPUCBXSOQMLICR-UHFFFAOYSA-N 1 2 313.426 3.315 20 70 DGIDLO CC[N@@H+](Cc1ccc(C)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159905081 432701566 /nfs/dbraw/zinc/70/15/66/432701566.db2.gz JPUCBXSOQMLICR-UHFFFAOYSA-N 1 2 313.426 3.315 20 70 DGIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000160067115 432705660 /nfs/dbraw/zinc/70/56/60/432705660.db2.gz AGBINCCHXUKYJI-GVDBMIGSSA-N 1 2 303.450 3.338 20 70 DGIDLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCO[C@H](C4CC4)C3)[nH+]cn2)C1 ZINC000160367722 432717811 /nfs/dbraw/zinc/71/78/11/432717811.db2.gz BPBJZKDPBZDIQU-BMFZPTHFSA-N 1 2 316.449 3.082 20 70 DGIDLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCO[C@H](C4CC4)C3)nc[nH+]2)C1 ZINC000160367722 432717814 /nfs/dbraw/zinc/71/78/14/432717814.db2.gz BPBJZKDPBZDIQU-BMFZPTHFSA-N 1 2 316.449 3.082 20 70 DGIDLO CC[N@H+](CCCNC(=O)C1(CCOC)CCC1)c1ccccc1 ZINC000159696800 432692005 /nfs/dbraw/zinc/69/20/05/432692005.db2.gz JFFGGFCMPKRRGD-UHFFFAOYSA-N 1 2 318.461 3.226 20 70 DGIDLO CC[N@@H+](CCCNC(=O)C1(CCOC)CCC1)c1ccccc1 ZINC000159696800 432692009 /nfs/dbraw/zinc/69/20/09/432692009.db2.gz JFFGGFCMPKRRGD-UHFFFAOYSA-N 1 2 318.461 3.226 20 70 DGIDLO CC[N@H+](Cc1nncn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000160871203 432747485 /nfs/dbraw/zinc/74/74/85/432747485.db2.gz WLKJGEUSRDFKTD-NSHDSACASA-N 1 2 312.339 3.417 20 70 DGIDLO CC[N@@H+](Cc1nncn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000160871203 432747489 /nfs/dbraw/zinc/74/74/89/432747489.db2.gz WLKJGEUSRDFKTD-NSHDSACASA-N 1 2 312.339 3.417 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000161081526 432757739 /nfs/dbraw/zinc/75/77/39/432757739.db2.gz XSTIOCAYMXXJFP-GFCCVEGCSA-N 1 2 319.355 3.209 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000161081526 432757741 /nfs/dbraw/zinc/75/77/41/432757741.db2.gz XSTIOCAYMXXJFP-GFCCVEGCSA-N 1 2 319.355 3.209 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000161104558 432759753 /nfs/dbraw/zinc/75/97/53/432759753.db2.gz OAPTWNNJWRPQEH-CQSZACIVSA-N 1 2 315.392 3.378 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000161104558 432759756 /nfs/dbraw/zinc/75/97/56/432759756.db2.gz OAPTWNNJWRPQEH-CQSZACIVSA-N 1 2 315.392 3.378 20 70 DGIDLO CC1(C)CCCC[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000160693602 432736266 /nfs/dbraw/zinc/73/62/66/432736266.db2.gz IVEKXBIUPKQKJW-GJZGRUSLSA-N 1 2 318.465 3.066 20 70 DGIDLO CC1(C)CCCC[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000160693602 432736269 /nfs/dbraw/zinc/73/62/69/432736269.db2.gz IVEKXBIUPKQKJW-GJZGRUSLSA-N 1 2 318.465 3.066 20 70 DGIDLO c1c[nH]c([C@H]2CCC[N@H+]2Cc2noc(-c3ccsc3)n2)c1 ZINC000160673554 432736350 /nfs/dbraw/zinc/73/63/50/432736350.db2.gz GEWNWNGORRGPSJ-CYBMUJFWSA-N 1 2 300.387 3.463 20 70 DGIDLO c1c[nH]c([C@H]2CCC[N@@H+]2Cc2noc(-c3ccsc3)n2)c1 ZINC000160673554 432736355 /nfs/dbraw/zinc/73/63/55/432736355.db2.gz GEWNWNGORRGPSJ-CYBMUJFWSA-N 1 2 300.387 3.463 20 70 DGIDLO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@H](C)C2)c[nH+]1 ZINC000160753153 432739532 /nfs/dbraw/zinc/73/95/32/432739532.db2.gz QMZZNMRFAQBTMV-GOEBONIOSA-N 1 2 303.450 3.370 20 70 DGIDLO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@H](C)C2)c[nH+]1 ZINC000160753248 520903755 /nfs/dbraw/zinc/90/37/55/520903755.db2.gz QMZZNMRFAQBTMV-HOCLYGCPSA-N 1 2 303.450 3.370 20 70 DGIDLO CCc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160105223 197386541 /nfs/dbraw/zinc/38/65/41/197386541.db2.gz MEAANVXYZQPKIK-OAHLLOKOSA-N 1 2 310.401 3.044 20 70 DGIDLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)Cc1cccnc1 ZINC000159468877 197355968 /nfs/dbraw/zinc/35/59/68/197355968.db2.gz CRKQJRUUUKBLOS-GFCCVEGCSA-N 1 2 303.793 3.194 20 70 DGIDLO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)Cc1cccnc1 ZINC000159468877 197355970 /nfs/dbraw/zinc/35/59/70/197355970.db2.gz CRKQJRUUUKBLOS-GFCCVEGCSA-N 1 2 303.793 3.194 20 70 DGIDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC2(CCC2)C1 ZINC000160140682 400732466 /nfs/dbraw/zinc/73/24/66/400732466.db2.gz QVSHFCJLVBZFSA-UHFFFAOYSA-N 1 2 324.428 3.017 20 70 DGIDLO Cc1ccc(Br)c(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000159734081 432693655 /nfs/dbraw/zinc/69/36/55/432693655.db2.gz VNMXRVDFANWYAF-UHFFFAOYSA-N 1 2 307.147 3.110 20 70 DGIDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000159774046 432695319 /nfs/dbraw/zinc/69/53/19/432695319.db2.gz TTYDUXUQRMHVPJ-GTNSWQLSSA-N 1 2 312.344 3.449 20 70 DGIDLO CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000159831860 432697214 /nfs/dbraw/zinc/69/72/14/432697214.db2.gz PIALPDCYTQVJIN-DZGCQCFKSA-N 1 2 316.405 3.208 20 70 DGIDLO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000159831860 432697218 /nfs/dbraw/zinc/69/72/18/432697218.db2.gz PIALPDCYTQVJIN-DZGCQCFKSA-N 1 2 316.405 3.208 20 70 DGIDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000159943487 432701541 /nfs/dbraw/zinc/70/15/41/432701541.db2.gz MRRQNPFXMUXRID-ZDUSSCGKSA-N 1 2 315.244 3.484 20 70 DGIDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000159943487 432701544 /nfs/dbraw/zinc/70/15/44/432701544.db2.gz MRRQNPFXMUXRID-ZDUSSCGKSA-N 1 2 315.244 3.484 20 70 DGIDLO CCc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000160366873 432717374 /nfs/dbraw/zinc/71/73/74/432717374.db2.gz MLKZQXJJPIHBMP-IRXDYDNUSA-N 1 2 324.428 3.471 20 70 DGIDLO COc1ccc2[nH+]c(C)nc(N[C@@H]3CCO[C@@H](C4CC4)C3)c2c1 ZINC000160422681 432718658 /nfs/dbraw/zinc/71/86/58/432718658.db2.gz PQFMJXGORNUTLM-CXAGYDPISA-N 1 2 313.401 3.316 20 70 DGIDLO CCc1nnc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)[nH]1 ZINC000160488236 432723363 /nfs/dbraw/zinc/72/33/63/432723363.db2.gz DDFWFYGOPHKWRQ-UHFFFAOYSA-N 1 2 306.360 3.204 20 70 DGIDLO Cc1cc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC000159629300 432690115 /nfs/dbraw/zinc/69/01/15/432690115.db2.gz JYCLBCBVFUWXHE-WCQYABFASA-N 1 2 303.431 3.001 20 70 DGIDLO C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)CC(C)(C)O1 ZINC000159665421 432691447 /nfs/dbraw/zinc/69/14/47/432691447.db2.gz MNSVPYXUBGWOQS-GFCCVEGCSA-N 1 2 304.365 3.480 20 70 DGIDLO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)CC(C)(C)O1 ZINC000159665421 432691450 /nfs/dbraw/zinc/69/14/50/432691450.db2.gz MNSVPYXUBGWOQS-GFCCVEGCSA-N 1 2 304.365 3.480 20 70 DGIDLO Clc1ccc(-c2nc(SCCn3cc[nH+]c3)n[nH]2)cc1 ZINC000159691717 432691848 /nfs/dbraw/zinc/69/18/48/432691848.db2.gz JLVZWZBJAALDJC-UHFFFAOYSA-N 1 2 305.794 3.114 20 70 DGIDLO Clc1ccc(-c2n[nH]c(SCCn3cc[nH+]c3)n2)cc1 ZINC000159691717 432691854 /nfs/dbraw/zinc/69/18/54/432691854.db2.gz JLVZWZBJAALDJC-UHFFFAOYSA-N 1 2 305.794 3.114 20 70 DGIDLO C[C@H]1C[N@H+](Cc2cnc3ccccn23)[C@H](c2ccccc2)CO1 ZINC000160895555 432747391 /nfs/dbraw/zinc/74/73/91/432747391.db2.gz JSLNEVISAQFBQH-YJBOKZPZSA-N 1 2 307.397 3.296 20 70 DGIDLO C[C@H]1C[N@@H+](Cc2cnc3ccccn23)[C@H](c2ccccc2)CO1 ZINC000160895555 432747395 /nfs/dbraw/zinc/74/73/95/432747395.db2.gz JSLNEVISAQFBQH-YJBOKZPZSA-N 1 2 307.397 3.296 20 70 DGIDLO C[C@H]1CN(Cc2c[nH+]c3ccccn23)[C@H](c2ccccc2)CO1 ZINC000160895555 432747400 /nfs/dbraw/zinc/74/74/00/432747400.db2.gz JSLNEVISAQFBQH-YJBOKZPZSA-N 1 2 307.397 3.296 20 70 DGIDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(F)cc1F ZINC000161012157 432753864 /nfs/dbraw/zinc/75/38/64/432753864.db2.gz ZILBKSXBAKNDMY-HOTGVXAUSA-N 1 2 304.340 3.232 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000160573916 432728367 /nfs/dbraw/zinc/72/83/67/432728367.db2.gz JYCOJQCKAZZTRJ-UHFFFAOYSA-N 1 2 313.438 3.003 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000160573916 432728371 /nfs/dbraw/zinc/72/83/71/432728371.db2.gz JYCOJQCKAZZTRJ-UHFFFAOYSA-N 1 2 313.438 3.003 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)n1 ZINC000160632582 432732028 /nfs/dbraw/zinc/73/20/28/432732028.db2.gz WLJWMXDAWXKEGX-INIZCTEOSA-N 1 2 313.401 3.090 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)n1 ZINC000160632582 432732031 /nfs/dbraw/zinc/73/20/31/432732031.db2.gz WLJWMXDAWXKEGX-INIZCTEOSA-N 1 2 313.401 3.090 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCc3sccc3[C@H]2CC)n1 ZINC000160832714 432743664 /nfs/dbraw/zinc/74/36/64/432743664.db2.gz VHRSYEAGOKHXSI-CYBMUJFWSA-N 1 2 303.431 3.316 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCc3sccc3[C@H]2CC)n1 ZINC000160832714 432743668 /nfs/dbraw/zinc/74/36/68/432743668.db2.gz VHRSYEAGOKHXSI-CYBMUJFWSA-N 1 2 303.431 3.316 20 70 DGIDLO C[C@@H](CSCc1ccccc1)C(=O)Nc1cc[nH+]cc1O ZINC000161503012 432783417 /nfs/dbraw/zinc/78/34/17/432783417.db2.gz ASPUEWIAOLLDEV-LBPRGKRZSA-N 1 2 302.399 3.295 20 70 DGIDLO CCCC1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCC1 ZINC000160739178 519890431 /nfs/dbraw/zinc/89/04/31/519890431.db2.gz HUAJOYRJUFMEGU-UHFFFAOYSA-N 1 2 318.465 3.032 20 70 DGIDLO CCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000160105280 528547174 /nfs/dbraw/zinc/54/71/74/528547174.db2.gz TUHRGRJRDMFNLP-NSHDSACASA-N 1 2 319.792 3.136 20 70 DGIDLO CC(C)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161387829 197491355 /nfs/dbraw/zinc/49/13/55/197491355.db2.gz GGQJLIORBSAMOA-HNNXBMFYSA-N 1 2 319.449 3.075 20 70 DGIDLO CN(C)c1cccc(C[N@H+](C)Cc2nc(-c3ccco3)no2)c1 ZINC000159788504 197364086 /nfs/dbraw/zinc/36/40/86/197364086.db2.gz WPEDXLIJVOMISA-UHFFFAOYSA-N 1 2 312.373 3.028 20 70 DGIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nc(-c3ccco3)no2)c1 ZINC000159788504 197364087 /nfs/dbraw/zinc/36/40/87/197364087.db2.gz WPEDXLIJVOMISA-UHFFFAOYSA-N 1 2 312.373 3.028 20 70 DGIDLO O=C(Nc1cccc(Cl)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159777973 197363372 /nfs/dbraw/zinc/36/33/72/197363372.db2.gz HBPLJXZDMGXKLB-AWEZNQCLSA-N 1 2 316.792 3.135 20 70 DGIDLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000159653884 432692152 /nfs/dbraw/zinc/69/21/52/432692152.db2.gz HINPKFAFGBZWAN-GFCCVEGCSA-N 1 2 323.400 3.345 20 70 DGIDLO C[C@H](Cc1ccccc1Cl)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000160481032 432723374 /nfs/dbraw/zinc/72/33/74/432723374.db2.gz BMJHFKOYZYGPOW-CQSZACIVSA-N 1 2 319.836 3.264 20 70 DGIDLO CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1 ZINC000159411553 432682024 /nfs/dbraw/zinc/68/20/24/432682024.db2.gz UGLULFDAOBRZNN-DZGCQCFKSA-N 1 2 317.820 3.366 20 70 DGIDLO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159418741 432683244 /nfs/dbraw/zinc/68/32/44/432683244.db2.gz ZIORKWBBYFIKNS-GXTWGEPZSA-N 1 2 317.820 3.319 20 70 DGIDLO CC[N@H+](Cc1nncn1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000160871351 432747032 /nfs/dbraw/zinc/74/70/32/432747032.db2.gz WLKJGEUSRDFKTD-LLVKDONJSA-N 1 2 312.339 3.417 20 70 DGIDLO CC[N@@H+](Cc1nncn1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000160871351 432747035 /nfs/dbraw/zinc/74/70/35/432747035.db2.gz WLKJGEUSRDFKTD-LLVKDONJSA-N 1 2 312.339 3.417 20 70 DGIDLO CS[C@H](C)CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000160877203 432747729 /nfs/dbraw/zinc/74/77/29/432747729.db2.gz AVAGWWJODXXJPG-CYBMUJFWSA-N 1 2 319.430 3.042 20 70 DGIDLO Cc1[nH+]c2ccccn2c1CN(C)Cc1nc2ccccc2n1C ZINC000160942083 432751773 /nfs/dbraw/zinc/75/17/73/432751773.db2.gz MAEYQZAMSHWXAO-UHFFFAOYSA-N 1 2 319.412 3.161 20 70 DGIDLO Cc1nc2ccccn2c1C[N@@H+](C)Cc1nc2ccccc2n1C ZINC000160942083 432751778 /nfs/dbraw/zinc/75/17/78/432751778.db2.gz MAEYQZAMSHWXAO-UHFFFAOYSA-N 1 2 319.412 3.161 20 70 DGIDLO Cc1nc2ccccn2c1C[N@H+](C)Cc1nc2ccccc2n1C ZINC000160942083 432751783 /nfs/dbraw/zinc/75/17/83/432751783.db2.gz MAEYQZAMSHWXAO-UHFFFAOYSA-N 1 2 319.412 3.161 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000161037804 432756023 /nfs/dbraw/zinc/75/60/23/432756023.db2.gz JCUMNCOHKCGBIR-CQSZACIVSA-N 1 2 315.392 3.378 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000161037804 432756027 /nfs/dbraw/zinc/75/60/27/432756027.db2.gz JCUMNCOHKCGBIR-CQSZACIVSA-N 1 2 315.392 3.378 20 70 DGIDLO Cc1cc2nnc(SCCn3cc[nH+]c3)n2c2ccccc12 ZINC000159498935 292793849 /nfs/dbraw/zinc/79/38/49/292793849.db2.gz PSBHMHUUUBSECT-UHFFFAOYSA-N 1 2 309.398 3.180 20 70 DGIDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ncc(C)s2)cc1 ZINC000159687364 186135751 /nfs/dbraw/zinc/13/57/51/186135751.db2.gz QCGDMYHPDRFQDY-GFCCVEGCSA-N 1 2 324.471 3.096 20 70 DGIDLO COCc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)o1 ZINC000159774059 197363261 /nfs/dbraw/zinc/36/32/61/197363261.db2.gz AVIZAQOLZHSTBJ-UHFFFAOYSA-N 1 2 317.385 3.002 20 70 DGIDLO COCc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)o1 ZINC000159774059 197363262 /nfs/dbraw/zinc/36/32/62/197363262.db2.gz AVIZAQOLZHSTBJ-UHFFFAOYSA-N 1 2 317.385 3.002 20 70 DGIDLO Cc1cc(N)nc(SCc2noc(C3CCCCC3)n2)[nH+]1 ZINC000159423595 197352100 /nfs/dbraw/zinc/35/21/00/197352100.db2.gz GKFJPOPXPQODSW-UHFFFAOYSA-N 1 2 305.407 3.090 20 70 DGIDLO COC(=O)C1([NH2+]CCOc2ccc(Cl)cc2)CCCCC1 ZINC000217097045 432654455 /nfs/dbraw/zinc/65/44/55/432654455.db2.gz LYROYUSRQDOUOA-UHFFFAOYSA-N 1 2 311.809 3.184 20 70 DGIDLO Cc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000159731174 432694422 /nfs/dbraw/zinc/69/44/22/432694422.db2.gz BZECLOPQCORTSQ-OAHLLOKOSA-N 1 2 310.401 3.099 20 70 DGIDLO CCOC(=O)C[N@H+](Cc1cccc(OC)c1OC)C1CCCC1 ZINC000159777178 432695604 /nfs/dbraw/zinc/69/56/04/432695604.db2.gz MPDZHJULBPELIM-UHFFFAOYSA-N 1 2 321.417 3.012 20 70 DGIDLO CCOC(=O)C[N@@H+](Cc1cccc(OC)c1OC)C1CCCC1 ZINC000159777178 432695608 /nfs/dbraw/zinc/69/56/08/432695608.db2.gz MPDZHJULBPELIM-UHFFFAOYSA-N 1 2 321.417 3.012 20 70 DGIDLO Cn1cc[nH+]c1CSc1nnc(-c2cccc(Cl)c2)n1C ZINC000159748525 432695959 /nfs/dbraw/zinc/69/59/59/432695959.db2.gz ZZJOJINNVXNGLZ-UHFFFAOYSA-N 1 2 319.821 3.161 20 70 DGIDLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000160068029 432705577 /nfs/dbraw/zinc/70/55/77/432705577.db2.gz IKGBVPPPCVDMJZ-AWEZNQCLSA-N 1 2 319.836 3.264 20 70 DGIDLO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159434592 432683498 /nfs/dbraw/zinc/68/34/98/432683498.db2.gz NNUZATJRFJYURS-OLZOCXBDSA-N 1 2 317.820 3.319 20 70 DGIDLO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCSCC3)o2)cc1C ZINC000160873255 432748169 /nfs/dbraw/zinc/74/81/69/432748169.db2.gz UOULEZMVGKSJQH-ZDUSSCGKSA-N 1 2 303.431 3.463 20 70 DGIDLO CCCn1c(C)nnc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000160918006 432749249 /nfs/dbraw/zinc/74/92/49/432749249.db2.gz OEFFDMGSGQVMCH-UHFFFAOYSA-N 1 2 304.360 3.161 20 70 DGIDLO CCCn1c(C)nnc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000160918006 432749254 /nfs/dbraw/zinc/74/92/54/432749254.db2.gz OEFFDMGSGQVMCH-UHFFFAOYSA-N 1 2 304.360 3.161 20 70 DGIDLO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1nccs1 ZINC000161071562 432758381 /nfs/dbraw/zinc/75/83/81/432758381.db2.gz GXMIJUTUTKJCRP-CHWSQXEVSA-N 1 2 319.405 3.128 20 70 DGIDLO Cc1cc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)nc[nH+]1 ZINC000161165423 432762996 /nfs/dbraw/zinc/76/29/96/432762996.db2.gz YGOJVOPFSOGEJV-HOTGVXAUSA-N 1 2 301.365 3.017 20 70 DGIDLO Cc1cc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)nc[nH+]1 ZINC000161165284 432763612 /nfs/dbraw/zinc/76/36/12/432763612.db2.gz YGOJVOPFSOGEJV-CVEARBPZSA-N 1 2 301.365 3.017 20 70 DGIDLO CCc1cc(N[C@@H](CO)CC(C)(C)C)nc(-c2ccncc2)[nH+]1 ZINC000161437656 432779410 /nfs/dbraw/zinc/77/94/10/432779410.db2.gz CSJAVFQTFSVOOS-OAHLLOKOSA-N 1 2 314.433 3.310 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)n1 ZINC000160632458 432731995 /nfs/dbraw/zinc/73/19/95/432731995.db2.gz WLJWMXDAWXKEGX-MRXNPFEDSA-N 1 2 313.401 3.090 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)n1 ZINC000160632458 432732001 /nfs/dbraw/zinc/73/20/01/432732001.db2.gz WLJWMXDAWXKEGX-MRXNPFEDSA-N 1 2 313.401 3.090 20 70 DGIDLO CCc1ccc([C@@H]2COCCN2Cc2c[nH+]c3ccccn23)o1 ZINC000160507271 524040161 /nfs/dbraw/zinc/04/01/61/524040161.db2.gz ZLLMECBRILJLDL-INIZCTEOSA-N 1 2 311.385 3.063 20 70 DGIDLO Cc1ccc([C@H]2COCCN2Cc2c(C)[nH+]c3ccccn32)o1 ZINC000160483799 526029101 /nfs/dbraw/zinc/02/91/01/526029101.db2.gz DLCRDHYTIAHEEI-MRXNPFEDSA-N 1 2 311.385 3.118 20 70 DGIDLO CC(C)n1cc[nH+]c1CN(C)Cc1ccc(Br)o1 ZINC000160784670 528604375 /nfs/dbraw/zinc/60/43/75/528604375.db2.gz HQYLXUXLAKCDOK-UHFFFAOYSA-N 1 2 312.211 3.452 20 70 DGIDLO CCCCn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000160658912 529099636 /nfs/dbraw/zinc/09/96/36/529099636.db2.gz LPHYGVOQNSLFFZ-UHFFFAOYSA-N 1 2 323.400 3.430 20 70 DGIDLO CCn1cnnc1C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000218232689 627104752 /nfs/dbraw/zinc/10/47/52/627104752.db2.gz JGCCOYIXZHTTAU-UHFFFAOYSA-N 1 2 316.352 3.200 20 70 DGIDLO Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C)c1 ZINC000159734724 186138423 /nfs/dbraw/zinc/13/84/23/186138423.db2.gz KBRUQKRHMWSWOW-OAHLLOKOSA-N 1 2 310.401 3.099 20 70 DGIDLO CC(C)(O)CC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000160302505 197398940 /nfs/dbraw/zinc/39/89/40/197398940.db2.gz UPDLJCPABAVZIT-UHFFFAOYSA-N 1 2 316.214 3.107 20 70 DGIDLO CC(C)(O)CC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000160302505 197398941 /nfs/dbraw/zinc/39/89/41/197398941.db2.gz UPDLJCPABAVZIT-UHFFFAOYSA-N 1 2 316.214 3.107 20 70 DGIDLO Brc1ccc(CSCC[NH+]2CCOCC2)s1 ZINC000160030447 197381031 /nfs/dbraw/zinc/38/10/31/197381031.db2.gz WMOJNYDAJKVGIJ-UHFFFAOYSA-N 1 2 322.293 3.076 20 70 DGIDLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000159859828 197369447 /nfs/dbraw/zinc/36/94/47/197369447.db2.gz QKEHKQDGWOZTTJ-JTQLQIEISA-N 1 2 311.307 3.239 20 70 DGIDLO C[C@@H](CCn1cccn1)[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000159459624 197355382 /nfs/dbraw/zinc/35/53/82/197355382.db2.gz XGRJHWJOCARXQW-HNNXBMFYSA-N 1 2 316.474 3.327 20 70 DGIDLO O=C(Nc1ncc(-c2ccccc2)s1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159736782 228243259 /nfs/dbraw/zinc/24/32/59/228243259.db2.gz RAAZFHSDQZLSRL-CYBMUJFWSA-N 1 2 324.409 3.208 20 70 DGIDLO CCCn1c(C)nnc1C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000160389551 432717103 /nfs/dbraw/zinc/71/71/03/432717103.db2.gz GHAUYTKETFZBGP-MRXNPFEDSA-N 1 2 301.438 3.062 20 70 DGIDLO CCCn1c(C)nnc1C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000160389551 432717108 /nfs/dbraw/zinc/71/71/08/432717108.db2.gz GHAUYTKETFZBGP-MRXNPFEDSA-N 1 2 301.438 3.062 20 70 DGIDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1occc1C ZINC000160887307 432748148 /nfs/dbraw/zinc/74/81/48/432748148.db2.gz WGTNVCDIIRVDMC-UHFFFAOYSA-N 1 2 304.415 3.380 20 70 DGIDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1occc1C ZINC000160887307 432748152 /nfs/dbraw/zinc/74/81/52/432748152.db2.gz WGTNVCDIIRVDMC-UHFFFAOYSA-N 1 2 304.415 3.380 20 70 DGIDLO CCCn1c(C)nnc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000160906514 432749269 /nfs/dbraw/zinc/74/92/69/432749269.db2.gz JHGVVANIYDJNQT-UHFFFAOYSA-N 1 2 320.481 3.168 20 70 DGIDLO O=C(C[C@@H]1C=CCC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161396690 432776631 /nfs/dbraw/zinc/77/66/31/432776631.db2.gz LYPSUCNGRCPSRA-OAHLLOKOSA-N 1 2 318.848 3.341 20 70 DGIDLO CCCn1c(C)nnc1C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000160686632 432735298 /nfs/dbraw/zinc/73/52/98/432735298.db2.gz BYWKBFRQWSFSEX-CYBMUJFWSA-N 1 2 302.422 3.285 20 70 DGIDLO CCCn1c(C)nnc1C[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000160686632 432735301 /nfs/dbraw/zinc/73/53/01/432735301.db2.gz BYWKBFRQWSFSEX-CYBMUJFWSA-N 1 2 302.422 3.285 20 70 DGIDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1nnc2ccccn21 ZINC000160705924 432736865 /nfs/dbraw/zinc/73/68/65/432736865.db2.gz MSNQBBQJLBJPST-JTQLQIEISA-N 1 2 304.756 3.373 20 70 DGIDLO CS[C@H](C)CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160819029 432744120 /nfs/dbraw/zinc/74/41/20/432744120.db2.gz AABZOHULFMQRJC-LLVKDONJSA-N 1 2 313.492 3.209 20 70 DGIDLO COCc1ccc(C[N@H+](C)Cc2ccc(OC)cc2OC)o1 ZINC000160828361 432744539 /nfs/dbraw/zinc/74/45/39/432744539.db2.gz KKHZDVHTMGRZOR-UHFFFAOYSA-N 1 2 305.374 3.075 20 70 DGIDLO COCc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2OC)o1 ZINC000160828361 432744543 /nfs/dbraw/zinc/74/45/43/432744543.db2.gz KKHZDVHTMGRZOR-UHFFFAOYSA-N 1 2 305.374 3.075 20 70 DGIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000160862071 432745305 /nfs/dbraw/zinc/74/53/05/432745305.db2.gz AHBRIZSYOGAWBC-UONOGXRCSA-N 1 2 324.409 3.379 20 70 DGIDLO CC(C)(C)c1csc(CSCC[NH+]2CCOCC2)n1 ZINC000159937230 292803661 /nfs/dbraw/zinc/80/36/61/292803661.db2.gz WLQFLHONTWVRDS-UHFFFAOYSA-N 1 2 300.493 3.006 20 70 DGIDLO Cn1c(SCCn2cc[nH+]c2)nnc1-c1cccc(Cl)c1 ZINC000160193750 292809511 /nfs/dbraw/zinc/80/95/11/292809511.db2.gz CIKYJMBJDMTOLF-UHFFFAOYSA-N 1 2 319.821 3.124 20 70 DGIDLO CC[C@@H](O)CN(Cc1ccccc1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000161014092 292826630 /nfs/dbraw/zinc/82/66/30/292826630.db2.gz XRITVKDZYLPNRU-QGZVFWFLSA-N 1 2 311.429 3.440 20 70 DGIDLO CC[C@@H](C)Oc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160413037 522267986 /nfs/dbraw/zinc/26/79/86/522267986.db2.gz FPEJNJDUNKXSSO-KGLIPLIRSA-N 1 2 313.401 3.262 20 70 DGIDLO C[C@H]1CCN(c2nc(C(C)(C)C)ns2)C[C@@H]1n1cc[nH+]c1 ZINC000159962893 524308334 /nfs/dbraw/zinc/30/83/34/524308334.db2.gz UJUBFUMWEJUNQI-RYUDHWBXSA-N 1 2 305.451 3.120 20 70 DGIDLO COc1ccc2[nH+]c(N(C)CCC3CCOCC3)ccc2c1 ZINC000160537749 546060810 /nfs/dbraw/zinc/06/08/10/546060810.db2.gz BYLDCQUEWWUCLI-UHFFFAOYSA-N 1 2 300.402 3.496 20 70 DGIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CC1CCCCC1 ZINC000161024767 296135259 /nfs/dbraw/zinc/13/52/59/296135259.db2.gz AFWXGSMJUBOEHH-IRXDYDNUSA-N 1 2 315.461 3.407 20 70 DGIDLO Cc1ccc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)[nH+]1 ZINC000160285136 197397784 /nfs/dbraw/zinc/39/77/84/197397784.db2.gz GISJNTSMKZXSSQ-UHFFFAOYSA-N 1 2 311.385 3.399 20 70 DGIDLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000159859962 197368992 /nfs/dbraw/zinc/36/89/92/197368992.db2.gz QKEHKQDGWOZTTJ-SNVBAGLBSA-N 1 2 311.307 3.239 20 70 DGIDLO COc1c(C)cnc(C[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000160961709 533412588 /nfs/dbraw/zinc/41/25/88/533412588.db2.gz RZBWFVJLHNHEDP-UHFFFAOYSA-N 1 2 311.429 3.029 20 70 DGIDLO O=C(Nc1ncc(-c2ccccc2)s1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159736938 228243494 /nfs/dbraw/zinc/24/34/94/228243494.db2.gz RAAZFHSDQZLSRL-ZDUSSCGKSA-N 1 2 324.409 3.208 20 70 DGIDLO C[C@H]1C[N@H+](Cc2ncc(-c3ccccc3F)o2)CC(C)(C)O1 ZINC000159665520 432692446 /nfs/dbraw/zinc/69/24/46/432692446.db2.gz MNSVPYXUBGWOQS-LBPRGKRZSA-N 1 2 304.365 3.480 20 70 DGIDLO C[C@H]1C[N@@H+](Cc2ncc(-c3ccccc3F)o2)CC(C)(C)O1 ZINC000159665520 432692449 /nfs/dbraw/zinc/69/24/49/432692449.db2.gz MNSVPYXUBGWOQS-LBPRGKRZSA-N 1 2 304.365 3.480 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(F)c2)n1 ZINC000159909549 432700973 /nfs/dbraw/zinc/70/09/73/432700973.db2.gz OAOFLYFVRGXNAI-KRWDZBQOSA-N 1 2 313.376 3.305 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(F)c2)n1 ZINC000159909549 432700976 /nfs/dbraw/zinc/70/09/76/432700976.db2.gz OAOFLYFVRGXNAI-KRWDZBQOSA-N 1 2 313.376 3.305 20 70 DGIDLO CCCn1ccc2cc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000161047645 432756259 /nfs/dbraw/zinc/75/62/59/432756259.db2.gz GESFEFHWAXCXDM-OAHLLOKOSA-N 1 2 322.412 3.449 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000161037691 432756340 /nfs/dbraw/zinc/75/63/40/432756340.db2.gz JCUMNCOHKCGBIR-AWEZNQCLSA-N 1 2 315.392 3.378 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000161037691 432756344 /nfs/dbraw/zinc/75/63/44/432756344.db2.gz JCUMNCOHKCGBIR-AWEZNQCLSA-N 1 2 315.392 3.378 20 70 DGIDLO CC[N@H+](CC(=O)Nc1ccccc1C(C)C)Cc1cnn(C)c1 ZINC000161079816 432757267 /nfs/dbraw/zinc/75/72/67/432757267.db2.gz NUSZOTBEOZSLEK-UHFFFAOYSA-N 1 2 314.433 3.004 20 70 DGIDLO CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)Cc1cnn(C)c1 ZINC000161079816 432757273 /nfs/dbraw/zinc/75/72/73/432757273.db2.gz NUSZOTBEOZSLEK-UHFFFAOYSA-N 1 2 314.433 3.004 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000161103668 432760278 /nfs/dbraw/zinc/76/02/78/432760278.db2.gz KZJICCVQIDFUFG-ZDUSSCGKSA-N 1 2 301.365 3.070 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000161103668 432760282 /nfs/dbraw/zinc/76/02/82/432760282.db2.gz KZJICCVQIDFUFG-ZDUSSCGKSA-N 1 2 301.365 3.070 20 70 DGIDLO CC(C)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1 ZINC000160681457 432735922 /nfs/dbraw/zinc/73/59/22/432735922.db2.gz MWGRVJUGSOMEBD-UHFFFAOYSA-N 1 2 324.428 3.130 20 70 DGIDLO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC000160753506 432739069 /nfs/dbraw/zinc/73/90/69/432739069.db2.gz QMZZNMRFAQBTMV-ZBFHGGJFSA-N 1 2 303.450 3.370 20 70 DGIDLO Cc1cccn2cc(CNc3nc(C(C)(C)C)ns3)[nH+]c12 ZINC000160176849 197391712 /nfs/dbraw/zinc/39/17/12/197391712.db2.gz CAYFJNNTGMHGCT-UHFFFAOYSA-N 1 2 301.419 3.404 20 70 DGIDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160104605 197386031 /nfs/dbraw/zinc/38/60/31/197386031.db2.gz LDEYLYUWPSRKMS-KGLIPLIRSA-N 1 2 323.396 3.378 20 70 DGIDLO Cc1ccc(-c2cnc(CSCC[NH+]3CCOCC3)o2)cc1 ZINC000160000581 197378599 /nfs/dbraw/zinc/37/85/99/197378599.db2.gz VYGIOWJQDNXBHP-UHFFFAOYSA-N 1 2 318.442 3.215 20 70 DGIDLO Cc1ccccc1C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161462579 400739885 /nfs/dbraw/zinc/73/98/85/400739885.db2.gz WEFBPXANDNMSNX-QGZVFWFLSA-N 1 2 323.440 3.160 20 70 DGIDLO Cc1ccccc1C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161462699 400740375 /nfs/dbraw/zinc/74/03/75/400740375.db2.gz WEFBPXANDNMSNX-KRWDZBQOSA-N 1 2 323.440 3.160 20 70 DGIDLO Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160243397 292578664 /nfs/dbraw/zinc/57/86/64/292578664.db2.gz VLYRZTTWHYQGHW-SJORKVTESA-N 1 2 309.413 3.118 20 70 DGIDLO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159407493 277229438 /nfs/dbraw/zinc/22/94/38/277229438.db2.gz CIWCUDTWROMMMY-RBSFLKMASA-N 1 2 303.450 3.167 20 70 DGIDLO CCc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159999152 432702698 /nfs/dbraw/zinc/70/26/98/432702698.db2.gz AXFBQVFEPRXOHH-INIZCTEOSA-N 1 2 310.401 3.044 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000160545978 432726243 /nfs/dbraw/zinc/72/62/43/432726243.db2.gz UTHGMVQIVNXSFX-MRXNPFEDSA-N 1 2 313.401 3.090 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000160545978 432726249 /nfs/dbraw/zinc/72/62/49/432726249.db2.gz UTHGMVQIVNXSFX-MRXNPFEDSA-N 1 2 313.401 3.090 20 70 DGIDLO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCSCC3)o2)cc1C ZINC000160873148 432747069 /nfs/dbraw/zinc/74/70/69/432747069.db2.gz UOULEZMVGKSJQH-CYBMUJFWSA-N 1 2 303.431 3.463 20 70 DGIDLO CCN(C(=O)[C@@H](C)[N@H+](CC)Cc1ccccn1)c1ccccc1 ZINC000161073030 432758327 /nfs/dbraw/zinc/75/83/27/432758327.db2.gz QAFXSLVWPCGUDO-MRXNPFEDSA-N 1 2 311.429 3.345 20 70 DGIDLO CCN(C(=O)[C@@H](C)[N@@H+](CC)Cc1ccccn1)c1ccccc1 ZINC000161073030 432758329 /nfs/dbraw/zinc/75/83/29/432758329.db2.gz QAFXSLVWPCGUDO-MRXNPFEDSA-N 1 2 311.429 3.345 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000161164197 432763468 /nfs/dbraw/zinc/76/34/68/432763468.db2.gz AAKNOUYFDDUPEN-HNNXBMFYSA-N 1 2 307.401 3.245 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000161164197 432763473 /nfs/dbraw/zinc/76/34/73/432763473.db2.gz AAKNOUYFDDUPEN-HNNXBMFYSA-N 1 2 307.401 3.245 20 70 DGIDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000159774302 292800320 /nfs/dbraw/zinc/80/03/20/292800320.db2.gz TTYDUXUQRMHVPJ-APPDUMDISA-N 1 2 312.344 3.449 20 70 DGIDLO C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000160068138 292806446 /nfs/dbraw/zinc/80/64/46/292806446.db2.gz IKGBVPPPCVDMJZ-CQSZACIVSA-N 1 2 319.836 3.264 20 70 DGIDLO Fc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000216703501 546262871 /nfs/dbraw/zinc/26/28/71/546262871.db2.gz HYGYSMCKJOZSAQ-SFHVURJKSA-N 1 2 319.351 3.417 20 70 DGIDLO Fc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000216703501 546262874 /nfs/dbraw/zinc/26/28/74/546262874.db2.gz HYGYSMCKJOZSAQ-SFHVURJKSA-N 1 2 319.351 3.417 20 70 DGIDLO CCn1ccnc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000160709975 529567918 /nfs/dbraw/zinc/56/79/18/529567918.db2.gz GIABKOUXSMYNPK-CQSZACIVSA-N 1 2 305.447 3.146 20 70 DGIDLO CCn1ccnc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000160709975 529567923 /nfs/dbraw/zinc/56/79/23/529567923.db2.gz GIABKOUXSMYNPK-CQSZACIVSA-N 1 2 305.447 3.146 20 70 DGIDLO CCn1cc[nH+]c1CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000160709975 529567925 /nfs/dbraw/zinc/56/79/25/529567925.db2.gz GIABKOUXSMYNPK-CQSZACIVSA-N 1 2 305.447 3.146 20 70 DGIDLO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159716292 186137412 /nfs/dbraw/zinc/13/74/12/186137412.db2.gz MKZDECCDSRMEJD-GBESFXJTSA-N 1 2 308.425 3.009 20 70 DGIDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160104375 197386332 /nfs/dbraw/zinc/38/63/32/197386332.db2.gz LDEYLYUWPSRKMS-ZIAGYGMSSA-N 1 2 323.396 3.378 20 70 DGIDLO CCc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160105347 197385881 /nfs/dbraw/zinc/38/58/81/197385881.db2.gz MEAANVXYZQPKIK-HNNXBMFYSA-N 1 2 310.401 3.044 20 70 DGIDLO CC(C)c1ncc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000161142791 278078645 /nfs/dbraw/zinc/07/86/45/278078645.db2.gz ORTKMQPGEPBUCD-LLVKDONJSA-N 1 2 304.419 3.357 20 70 DGIDLO CCC(CC)(CC)CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000159948539 432702485 /nfs/dbraw/zinc/70/24/85/432702485.db2.gz YOZXRIGWFBVXHN-INIZCTEOSA-N 1 2 319.449 3.461 20 70 DGIDLO CCOCCC1(C[NH2+][C@H](C(=O)OC)c2ccccc2)CCC1 ZINC000159978852 432703756 /nfs/dbraw/zinc/70/37/56/432703756.db2.gz OGSAYJUZFZODEG-INIZCTEOSA-N 1 2 305.418 3.087 20 70 DGIDLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000160067782 432704857 /nfs/dbraw/zinc/70/48/57/432704857.db2.gz STEYFVZNEUBVSE-AWEZNQCLSA-N 1 2 319.836 3.264 20 70 DGIDLO Fc1cccc(-c2cnc(CSCC[NH+]3CCOCC3)o2)c1 ZINC000160069941 432706010 /nfs/dbraw/zinc/70/60/10/432706010.db2.gz LHKCZHUDVWURPY-UHFFFAOYSA-N 1 2 322.405 3.046 20 70 DGIDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)[nH]1 ZINC000160501368 432724494 /nfs/dbraw/zinc/72/44/94/432724494.db2.gz HWUOCFHOAPJQFX-LLVKDONJSA-N 1 2 318.396 3.146 20 70 DGIDLO CC(C)(C)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159385199 432681284 /nfs/dbraw/zinc/68/12/84/432681284.db2.gz JHOABTXPFRPWPN-OAHLLOKOSA-N 1 2 311.429 3.059 20 70 DGIDLO O=C(CC1CCSCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000159584150 432689184 /nfs/dbraw/zinc/68/91/84/432689184.db2.gz LYEDRLBROOMXKH-UHFFFAOYSA-N 1 2 315.442 3.022 20 70 DGIDLO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1nccs1 ZINC000161071689 432757518 /nfs/dbraw/zinc/75/75/18/432757518.db2.gz GXMIJUTUTKJCRP-STQMWFEESA-N 1 2 319.405 3.128 20 70 DGIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCCC3)c(F)c2)CC1 ZINC000161096994 432760191 /nfs/dbraw/zinc/76/01/91/432760191.db2.gz XMWWIGQKEHBBPQ-UHFFFAOYSA-N 1 2 319.424 3.285 20 70 DGIDLO C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1cccc(O)c1 ZINC000161091323 432760344 /nfs/dbraw/zinc/76/03/44/432760344.db2.gz MMXDEWHHIBPKHN-NSHDSACASA-N 1 2 311.389 3.460 20 70 DGIDLO COC(=O)c1cccc(CNc2cc(C(F)(F)F)cc[nH+]2)c1 ZINC000161246404 432767956 /nfs/dbraw/zinc/76/79/56/432767956.db2.gz OEWYZROYCWVISS-UHFFFAOYSA-N 1 2 310.275 3.499 20 70 DGIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)c(OC)c1 ZINC000161280762 432770209 /nfs/dbraw/zinc/77/02/09/432770209.db2.gz JXYIXUMAPHIVOS-HNNXBMFYSA-N 1 2 321.417 3.012 20 70 DGIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCC)c(OC)c1 ZINC000161280762 432770211 /nfs/dbraw/zinc/77/02/11/432770211.db2.gz JXYIXUMAPHIVOS-HNNXBMFYSA-N 1 2 321.417 3.012 20 70 DGIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000160861906 432746112 /nfs/dbraw/zinc/74/61/12/432746112.db2.gz AHBRIZSYOGAWBC-KBPBESRZSA-N 1 2 324.409 3.379 20 70 DGIDLO Cc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160142326 292692264 /nfs/dbraw/zinc/69/22/64/292692264.db2.gz XXNSNHVQXBDPAU-DOTOQJQBSA-N 1 2 309.413 3.118 20 70 DGIDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CC3(C)C)n2)C1 ZINC000160517449 524237826 /nfs/dbraw/zinc/23/78/26/524237826.db2.gz RHMLBNRDNVXCHN-YPMHNXCESA-N 1 2 307.463 3.360 20 70 DGIDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CC3(C)C)n2)C1 ZINC000160517449 524237832 /nfs/dbraw/zinc/23/78/32/524237832.db2.gz RHMLBNRDNVXCHN-YPMHNXCESA-N 1 2 307.463 3.360 20 70 DGIDLO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159718541 186137612 /nfs/dbraw/zinc/13/76/12/186137612.db2.gz MKZDECCDSRMEJD-QRVBRYPASA-N 1 2 308.425 3.009 20 70 DGIDLO Cc1cccc(C)c1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160033720 197380894 /nfs/dbraw/zinc/38/08/94/197380894.db2.gz KKEQPBYOUXNWCZ-HNNXBMFYSA-N 1 2 310.401 3.099 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000161156505 285120175 /nfs/dbraw/zinc/12/01/75/285120175.db2.gz UTHNAJSUMWITPE-INIZCTEOSA-N 1 2 323.440 3.271 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000161156505 285120176 /nfs/dbraw/zinc/12/01/76/285120176.db2.gz UTHNAJSUMWITPE-INIZCTEOSA-N 1 2 323.440 3.271 20 70 DGIDLO CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cs1 ZINC000159805534 432697604 /nfs/dbraw/zinc/69/76/04/432697604.db2.gz OPFNAYQMUZPFOF-OAHLLOKOSA-N 1 2 316.430 3.142 20 70 DGIDLO CC(=O)Nc1nc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cs1 ZINC000159805534 432697609 /nfs/dbraw/zinc/69/76/09/432697609.db2.gz OPFNAYQMUZPFOF-OAHLLOKOSA-N 1 2 316.430 3.142 20 70 DGIDLO Cc1ccc(-c2cc(CSCC[NH+]3CCOCC3)on2)cc1 ZINC000159862131 432700087 /nfs/dbraw/zinc/70/00/87/432700087.db2.gz YHQSTHZEIJSFML-UHFFFAOYSA-N 1 2 318.442 3.215 20 70 DGIDLO Clc1ccc(-c2nnc(SCCn3cc[nH+]c3)o2)s1 ZINC000160147383 432708028 /nfs/dbraw/zinc/70/80/28/432708028.db2.gz QZIQVRRPBLNFST-UHFFFAOYSA-N 1 2 312.807 3.440 20 70 DGIDLO Brc1ccc(C[NH2+]Cc2ccn[nH]2)c2ncccc12 ZINC000160317097 432714387 /nfs/dbraw/zinc/71/43/87/432714387.db2.gz JXIKLQRXDMXWHQ-UHFFFAOYSA-N 1 2 317.190 3.010 20 70 DGIDLO Cc1nc(NCc2nnc(C3CC3)n2C2CC2)c2c([nH+]1)CCCC2 ZINC000160331269 432715445 /nfs/dbraw/zinc/71/54/45/432715445.db2.gz BXVJXCGVQOPEPQ-UHFFFAOYSA-N 1 2 324.432 3.080 20 70 DGIDLO CCc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000160366742 432717931 /nfs/dbraw/zinc/71/79/31/432717931.db2.gz MLKZQXJJPIHBMP-SJORKVTESA-N 1 2 324.428 3.471 20 70 DGIDLO CCc1nnc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)[nH]1 ZINC000159502247 432685849 /nfs/dbraw/zinc/68/58/49/432685849.db2.gz UNZHMCKPQDODNO-UHFFFAOYSA-N 1 2 320.824 3.064 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000161076459 432757588 /nfs/dbraw/zinc/75/75/88/432757588.db2.gz RSJPVLGJYRIKIC-HOTGVXAUSA-N 1 2 323.440 3.270 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000161076459 432757591 /nfs/dbraw/zinc/75/75/91/432757591.db2.gz RSJPVLGJYRIKIC-HOTGVXAUSA-N 1 2 323.440 3.270 20 70 DGIDLO CC(C)c1ncc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000161142904 432761787 /nfs/dbraw/zinc/76/17/87/432761787.db2.gz ORTKMQPGEPBUCD-NSHDSACASA-N 1 2 304.419 3.357 20 70 DGIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCC)c(OC)c1 ZINC000161280633 432770318 /nfs/dbraw/zinc/77/03/18/432770318.db2.gz JXYIXUMAPHIVOS-OAHLLOKOSA-N 1 2 321.417 3.012 20 70 DGIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCC)c(OC)c1 ZINC000161280633 432770319 /nfs/dbraw/zinc/77/03/19/432770319.db2.gz JXYIXUMAPHIVOS-OAHLLOKOSA-N 1 2 321.417 3.012 20 70 DGIDLO O=C(C[C@H]1C=CCC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161396533 432776505 /nfs/dbraw/zinc/77/65/05/432776505.db2.gz LYPSUCNGRCPSRA-HNNXBMFYSA-N 1 2 318.848 3.341 20 70 DGIDLO CC(C)OCc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160560969 432729173 /nfs/dbraw/zinc/72/91/73/432729173.db2.gz NALWBSBWKPIICN-OAHLLOKOSA-N 1 2 313.401 3.009 20 70 DGIDLO CS[C@@H](C)CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160818894 432744007 /nfs/dbraw/zinc/74/40/07/432744007.db2.gz AABZOHULFMQRJC-NSHDSACASA-N 1 2 313.492 3.209 20 70 DGIDLO Cc1sc2[nH]c(C[N@@H+](C)[C@H](C)c3ccco3)nc(=O)c2c1C ZINC000161501167 432783230 /nfs/dbraw/zinc/78/32/30/432783230.db2.gz KAGMZIVLMWVZQR-SNVBAGLBSA-N 1 2 317.414 3.387 20 70 DGIDLO Cc1sc2[nH]c(C[N@H+](C)[C@H](C)c3ccco3)nc(=O)c2c1C ZINC000161501167 432783236 /nfs/dbraw/zinc/78/32/36/432783236.db2.gz KAGMZIVLMWVZQR-SNVBAGLBSA-N 1 2 317.414 3.387 20 70 DGIDLO CC(C)CCC1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000160251975 292810915 /nfs/dbraw/zinc/81/09/15/292810915.db2.gz NBPBLFGSRPUSJV-HNNXBMFYSA-N 1 2 306.454 3.129 20 70 DGIDLO CC(C)OCc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160445550 519775679 /nfs/dbraw/zinc/77/56/79/519775679.db2.gz UHGFEHRHJDLXBZ-HNNXBMFYSA-N 1 2 313.401 3.009 20 70 DGIDLO CCOCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000160365567 521706947 /nfs/dbraw/zinc/70/69/47/521706947.db2.gz GDCDUUSLPREQMQ-OAHLLOKOSA-N 1 2 301.789 3.279 20 70 DGIDLO CCOCCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000160365567 521706948 /nfs/dbraw/zinc/70/69/48/521706948.db2.gz GDCDUUSLPREQMQ-OAHLLOKOSA-N 1 2 301.789 3.279 20 70 DGIDLO CC(C)c1noc([C@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159808748 528509259 /nfs/dbraw/zinc/50/92/59/528509259.db2.gz OYMZUGAKBYSSBS-ZDUSSCGKSA-N 1 2 302.422 3.452 20 70 DGIDLO CC(C)c1noc([C@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)n1 ZINC000159808748 528509265 /nfs/dbraw/zinc/50/92/65/528509265.db2.gz OYMZUGAKBYSSBS-ZDUSSCGKSA-N 1 2 302.422 3.452 20 70 DGIDLO CCC(CC)(CC)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000159948635 528624896 /nfs/dbraw/zinc/62/48/96/528624896.db2.gz YOZXRIGWFBVXHN-MRXNPFEDSA-N 1 2 319.449 3.461 20 70 DGIDLO CN1CC[N@H+](CCOc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000216733768 546263013 /nfs/dbraw/zinc/26/30/13/546263013.db2.gz QMQGQXLOLAYJDZ-GOSISDBHSA-N 1 2 314.404 3.193 20 70 DGIDLO CN1CC[N@@H+](CCOc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000216733768 546263015 /nfs/dbraw/zinc/26/30/15/546263015.db2.gz QMQGQXLOLAYJDZ-GOSISDBHSA-N 1 2 314.404 3.193 20 70 DGIDLO C[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCOC1 ZINC000159546519 186126627 /nfs/dbraw/zinc/12/66/27/186126627.db2.gz MRLKSQCGFLSOMB-JTQLQIEISA-N 1 2 310.369 3.309 20 70 DGIDLO C[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)[C@H]1CCOC1 ZINC000159546519 186126628 /nfs/dbraw/zinc/12/66/28/186126628.db2.gz MRLKSQCGFLSOMB-JTQLQIEISA-N 1 2 310.369 3.309 20 70 DGIDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ncc(C)s2)cc1 ZINC000159687480 186135554 /nfs/dbraw/zinc/13/55/54/186135554.db2.gz QCGDMYHPDRFQDY-LBPRGKRZSA-N 1 2 324.471 3.096 20 70 DGIDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000159774481 533491728 /nfs/dbraw/zinc/49/17/28/533491728.db2.gz TTYDUXUQRMHVPJ-PIGZYNQJSA-N 1 2 312.344 3.449 20 70 DGIDLO COC(=O)C1([NH2+]CCc2c(F)cccc2Cl)CCCCC1 ZINC000217139221 432655442 /nfs/dbraw/zinc/65/54/42/432655442.db2.gz UWCVRTBGGFCYPI-UHFFFAOYSA-N 1 2 313.800 3.487 20 70 DGIDLO C[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000159993918 432702392 /nfs/dbraw/zinc/70/23/92/432702392.db2.gz PFRJJXKLNAIUNH-HOCLYGCPSA-N 1 2 301.434 3.124 20 70 DGIDLO Cc1nnc(SCCn2cc[nH+]c2)n1[C@@H]1CCC[C@H](C)C1 ZINC000160336222 432715055 /nfs/dbraw/zinc/71/50/55/432715055.db2.gz LVPOVRPDZWFOHN-GXTWGEPZSA-N 1 2 305.451 3.327 20 70 DGIDLO Cc1nnc(SCCn2cc[nH+]c2)n1[C@H]1CCC[C@H](C)C1 ZINC000160336367 432716165 /nfs/dbraw/zinc/71/61/65/432716165.db2.gz LVPOVRPDZWFOHN-JSGCOSHPSA-N 1 2 305.451 3.327 20 70 DGIDLO Cc1nn(C)cc1C[N@H+](C)Cc1ccccc1Br ZINC000160378752 432716806 /nfs/dbraw/zinc/71/68/06/432716806.db2.gz SWOPXYRRSBOIHH-UHFFFAOYSA-N 1 2 308.223 3.123 20 70 DGIDLO Cc1nn(C)cc1C[N@@H+](C)Cc1ccccc1Br ZINC000160378752 432716810 /nfs/dbraw/zinc/71/68/10/432716810.db2.gz SWOPXYRRSBOIHH-UHFFFAOYSA-N 1 2 308.223 3.123 20 70 DGIDLO CCCn1c(C)nnc1C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000160389684 432717947 /nfs/dbraw/zinc/71/79/47/432717947.db2.gz GHAUYTKETFZBGP-INIZCTEOSA-N 1 2 301.438 3.062 20 70 DGIDLO CCCn1c(C)nnc1C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000160389684 432717951 /nfs/dbraw/zinc/71/79/51/432717951.db2.gz GHAUYTKETFZBGP-INIZCTEOSA-N 1 2 301.438 3.062 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000161104060 432760418 /nfs/dbraw/zinc/76/04/18/432760418.db2.gz WKDOTOMWUGJDAV-GFCCVEGCSA-N 1 2 319.355 3.209 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000161104060 432760421 /nfs/dbraw/zinc/76/04/21/432760421.db2.gz WKDOTOMWUGJDAV-GFCCVEGCSA-N 1 2 319.355 3.209 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161132449 432761503 /nfs/dbraw/zinc/76/15/03/432761503.db2.gz JZUZWPCACCBTIJ-CQSZACIVSA-N 1 2 315.392 3.378 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161132449 432761507 /nfs/dbraw/zinc/76/15/07/432761507.db2.gz JZUZWPCACCBTIJ-CQSZACIVSA-N 1 2 315.392 3.378 20 70 DGIDLO CCOc1cccc(C[NH2+]C2(c3noc(C)n3)CCCC2)c1 ZINC000161377703 292834584 /nfs/dbraw/zinc/83/45/84/292834584.db2.gz HIBLWXWQRFDSKF-UHFFFAOYSA-N 1 2 301.390 3.336 20 70 DGIDLO Cc1ccc([C@@H]2COCCN2Cc2c(C)[nH+]c3ccccn32)o1 ZINC000160483667 525840726 /nfs/dbraw/zinc/84/07/26/525840726.db2.gz DLCRDHYTIAHEEI-INIZCTEOSA-N 1 2 311.385 3.118 20 70 DGIDLO CC1(O)CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000161202564 528042572 /nfs/dbraw/zinc/04/25/72/528042572.db2.gz GOHZVRSQTIXDSQ-UHFFFAOYSA-N 1 2 305.752 3.288 20 70 DGIDLO CCc1ccccc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000160783251 529567323 /nfs/dbraw/zinc/56/73/23/529567323.db2.gz BKMWOQADEQCQIZ-UHFFFAOYSA-N 1 2 307.397 3.337 20 70 DGIDLO CCc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159938443 197374549 /nfs/dbraw/zinc/37/45/49/197374549.db2.gz PIKSYXSZPGSJCV-INIZCTEOSA-N 1 2 310.401 3.044 20 70 DGIDLO Cc1cc(C)cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159925448 197373214 /nfs/dbraw/zinc/37/32/14/197373214.db2.gz WSALCSCVZXRMCG-OAHLLOKOSA-N 1 2 310.401 3.099 20 70 DGIDLO O=C(Nc1cccc(Cl)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159778112 197363391 /nfs/dbraw/zinc/36/33/91/197363391.db2.gz HBPLJXZDMGXKLB-CQSZACIVSA-N 1 2 316.792 3.135 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(CC(C)C)no2)n1 ZINC000159888843 432699493 /nfs/dbraw/zinc/69/94/93/432699493.db2.gz JBKSQVFLKWMPMZ-HNNXBMFYSA-N 1 2 300.406 3.309 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(CC(C)C)no2)n1 ZINC000159888843 432699495 /nfs/dbraw/zinc/69/94/95/432699495.db2.gz JBKSQVFLKWMPMZ-HNNXBMFYSA-N 1 2 300.406 3.309 20 70 DGIDLO C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000159994025 432703117 /nfs/dbraw/zinc/70/31/17/432703117.db2.gz PFRJJXKLNAIUNH-GDBMZVCRSA-N 1 2 301.434 3.124 20 70 DGIDLO CCOCCC1(C[NH2+][C@@H](C(=O)OC)c2ccccc2)CCC1 ZINC000159978988 432703632 /nfs/dbraw/zinc/70/36/32/432703632.db2.gz OGSAYJUZFZODEG-MRXNPFEDSA-N 1 2 305.418 3.087 20 70 DGIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000160067382 432704886 /nfs/dbraw/zinc/70/48/86/432704886.db2.gz AGBINCCHXUKYJI-BRWVUGGUSA-N 1 2 303.450 3.338 20 70 DGIDLO O=C(Nc1ccc(-c2ccccc2)cn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160201211 432710310 /nfs/dbraw/zinc/71/03/10/432710310.db2.gz SKEJUXQDCQLQEJ-OAHLLOKOSA-N 1 2 318.380 3.146 20 70 DGIDLO CCc1nnc(C[NH2+][C@@H](CC)c2ccccc2OC(F)F)[nH]1 ZINC000160321906 432713214 /nfs/dbraw/zinc/71/32/14/432713214.db2.gz SHYNBVNTRIMTNH-NSHDSACASA-N 1 2 310.348 3.209 20 70 DGIDLO CC[C@]1(C)C[C@H]1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000160265966 432714179 /nfs/dbraw/zinc/71/41/79/432714179.db2.gz FXWGUQXCSAJAHQ-RLFYNMQTSA-N 1 2 315.392 3.201 20 70 DGIDLO C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1Br ZINC000160382667 432717027 /nfs/dbraw/zinc/71/70/27/432717027.db2.gz ZZEYQEVGJDUUFN-UHFFFAOYSA-N 1 2 310.191 3.166 20 70 DGIDLO C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1Br ZINC000160382667 432717029 /nfs/dbraw/zinc/71/70/29/432717029.db2.gz ZZEYQEVGJDUUFN-UHFFFAOYSA-N 1 2 310.191 3.166 20 70 DGIDLO COc1ccc2[nH+]c(C)nc(N[C@H]3CCO[C@H](C4CC4)C3)c2c1 ZINC000160422553 432719880 /nfs/dbraw/zinc/71/98/80/432719880.db2.gz PQFMJXGORNUTLM-GUYCJALGSA-N 1 2 313.401 3.316 20 70 DGIDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)[nH]1 ZINC000160501251 432724785 /nfs/dbraw/zinc/72/47/85/432724785.db2.gz HWUOCFHOAPJQFX-NSHDSACASA-N 1 2 318.396 3.146 20 70 DGIDLO CC(C)(C)c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159385311 432681899 /nfs/dbraw/zinc/68/18/99/432681899.db2.gz JHOABTXPFRPWPN-HNNXBMFYSA-N 1 2 311.429 3.059 20 70 DGIDLO CCc1ccc(CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C2CC2)cc1 ZINC000159404416 432682134 /nfs/dbraw/zinc/68/21/34/432682134.db2.gz LBNGNRVNBMFDPX-QGZVFWFLSA-N 1 2 323.440 3.199 20 70 DGIDLO O=C(NC1CCC(c2ccccc2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159553638 432687335 /nfs/dbraw/zinc/68/73/35/432687335.db2.gz DCLNIGCLCYLZAQ-ADKAHSJRSA-N 1 2 323.440 3.288 20 70 DGIDLO Cc1cc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC000159629569 432689580 /nfs/dbraw/zinc/68/95/80/432689580.db2.gz JYCLBCBVFUWXHE-AAEUAGOBSA-N 1 2 303.431 3.001 20 70 DGIDLO Fc1ccccc1[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000159630855 432690156 /nfs/dbraw/zinc/69/01/56/432690156.db2.gz VZVLETGRRDUVFR-KRWDZBQOSA-N 1 2 311.360 3.047 20 70 DGIDLO CS[C@@H](C)CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000160877059 432748280 /nfs/dbraw/zinc/74/82/80/432748280.db2.gz AVAGWWJODXXJPG-ZDUSSCGKSA-N 1 2 319.430 3.042 20 70 DGIDLO CCc1ccc(C[N@H+](CC)CC(=O)Nc2cccc(OC)c2)o1 ZINC000160647735 432734545 /nfs/dbraw/zinc/73/45/45/432734545.db2.gz LVZMLSOKKVKKPC-UHFFFAOYSA-N 1 2 316.401 3.311 20 70 DGIDLO CCc1ccc(C[N@@H+](CC)CC(=O)Nc2cccc(OC)c2)o1 ZINC000160647735 432734549 /nfs/dbraw/zinc/73/45/49/432734549.db2.gz LVZMLSOKKVKKPC-UHFFFAOYSA-N 1 2 316.401 3.311 20 70 DGIDLO Fc1cccc(Nc2nnc(SCCn3cc[nH+]c3)s2)c1 ZINC000159733849 292799466 /nfs/dbraw/zinc/79/94/66/292799466.db2.gz REGMWQRSQPLROU-UHFFFAOYSA-N 1 2 321.406 3.410 20 70 DGIDLO CCCCc1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159949955 292804312 /nfs/dbraw/zinc/80/43/12/292804312.db2.gz XAZQXEBJTHBCJD-UHFFFAOYSA-N 1 2 300.493 3.051 20 70 DGIDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000159943361 521184337 /nfs/dbraw/zinc/18/43/37/521184337.db2.gz MRRQNPFXMUXRID-CYBMUJFWSA-N 1 2 315.244 3.484 20 70 DGIDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000159943361 521184344 /nfs/dbraw/zinc/18/43/44/521184344.db2.gz MRRQNPFXMUXRID-CYBMUJFWSA-N 1 2 315.244 3.484 20 70 DGIDLO C[C@@H](CC(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000160088337 546058246 /nfs/dbraw/zinc/05/82/46/546058246.db2.gz IKVUBWZOGGNFNE-AWEZNQCLSA-N 1 2 306.369 3.400 20 70 DGIDLO Cc1ccc(C(=O)NC2CC2)cc1NCc1c[nH+]c2ccccn12 ZINC000160267358 546058814 /nfs/dbraw/zinc/05/88/14/546058814.db2.gz KWLJFBRZEVRRDY-UHFFFAOYSA-N 1 2 320.396 3.147 20 70 DGIDLO CCc1nn(C)c(CC)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000159566390 186127306 /nfs/dbraw/zinc/12/73/06/186127306.db2.gz NADVKCXXMXXWPZ-UHFFFAOYSA-N 1 2 310.445 3.359 20 70 DGIDLO Cc1nc(C2([NH2+]CCC(=O)c3ccc(C)cc3)CCCC2)no1 ZINC000159892537 197371902 /nfs/dbraw/zinc/37/19/02/197371902.db2.gz CHKLXKOGUQIZGE-UHFFFAOYSA-N 1 2 313.401 3.318 20 70 DGIDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)cc1 ZINC000159423309 197352168 /nfs/dbraw/zinc/35/21/68/197352168.db2.gz RAKANOUIWVOPTR-NWDGAFQWSA-N 1 2 324.471 3.349 20 70 DGIDLO CCn1cc[nH+]c1CN(C)Cc1cc(Br)cs1 ZINC000160793209 400735983 /nfs/dbraw/zinc/73/59/83/400735983.db2.gz DQWZHNUFDBHOIM-UHFFFAOYSA-N 1 2 314.252 3.359 20 70 DGIDLO CSCC[N@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160275214 432714045 /nfs/dbraw/zinc/71/40/45/432714045.db2.gz KSOFYBBURDNMEX-UHFFFAOYSA-N 1 2 314.252 3.120 20 70 DGIDLO CSCC[N@@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160275214 432714049 /nfs/dbraw/zinc/71/40/49/432714049.db2.gz KSOFYBBURDNMEX-UHFFFAOYSA-N 1 2 314.252 3.120 20 70 DGIDLO CCc1nnc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)[nH]1 ZINC000160375846 432717334 /nfs/dbraw/zinc/71/73/34/432717334.db2.gz QUEVBNYCDDANQO-NSHDSACASA-N 1 2 316.302 3.290 20 70 DGIDLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccccc1Br ZINC000160386265 432717867 /nfs/dbraw/zinc/71/78/67/432717867.db2.gz HWEDHHMJVWKCNL-UHFFFAOYSA-N 1 2 308.223 3.421 20 70 DGIDLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccccc1Br ZINC000160386265 432717868 /nfs/dbraw/zinc/71/78/68/432717868.db2.gz HWEDHHMJVWKCNL-UHFFFAOYSA-N 1 2 308.223 3.421 20 70 DGIDLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000159472046 432683935 /nfs/dbraw/zinc/68/39/35/432683935.db2.gz PBEKBOKHIFYHEY-CYBMUJFWSA-N 1 2 315.442 3.263 20 70 DGIDLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000159472046 432683937 /nfs/dbraw/zinc/68/39/37/432683937.db2.gz PBEKBOKHIFYHEY-CYBMUJFWSA-N 1 2 315.442 3.263 20 70 DGIDLO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159419149 432684071 /nfs/dbraw/zinc/68/40/71/432684071.db2.gz ZIORKWBBYFIKNS-OCCSQVGLSA-N 1 2 317.820 3.319 20 70 DGIDLO CN(Cc1cccn1C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000160906014 432749752 /nfs/dbraw/zinc/74/97/52/432749752.db2.gz MCFSRCHYKDLUON-UHFFFAOYSA-N 1 2 321.380 3.485 20 70 DGIDLO Cc1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000161418147 432778101 /nfs/dbraw/zinc/77/81/01/432778101.db2.gz RDKLVAKFBNKWOO-CMDGGOBGSA-N 1 2 307.353 3.103 20 70 DGIDLO Cc1[nH+]c2ccccn2c1CN1CCc2c(F)ccc(F)c2C1 ZINC000161440384 432779849 /nfs/dbraw/zinc/77/98/49/432779849.db2.gz SAMNIWYOCCHTSZ-UHFFFAOYSA-N 1 2 313.351 3.479 20 70 DGIDLO Cc1nc2ccccn2c1C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000161440384 432779851 /nfs/dbraw/zinc/77/98/51/432779851.db2.gz SAMNIWYOCCHTSZ-UHFFFAOYSA-N 1 2 313.351 3.479 20 70 DGIDLO Cc1nc2ccccn2c1C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000161440384 432779854 /nfs/dbraw/zinc/77/98/54/432779854.db2.gz SAMNIWYOCCHTSZ-UHFFFAOYSA-N 1 2 313.351 3.479 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000160650666 432734710 /nfs/dbraw/zinc/73/47/10/432734710.db2.gz HQKGCRNVTDDPAN-GFCCVEGCSA-N 1 2 319.417 3.171 20 70 DGIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000160650666 432734716 /nfs/dbraw/zinc/73/47/16/432734716.db2.gz HQKGCRNVTDDPAN-GFCCVEGCSA-N 1 2 319.417 3.171 20 70 DGIDLO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000160717659 432737437 /nfs/dbraw/zinc/73/74/37/432737437.db2.gz YEHHLKLDSXISOZ-INIZCTEOSA-N 1 2 315.417 3.257 20 70 DGIDLO CCn1ccnc1C[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000160717659 432737441 /nfs/dbraw/zinc/73/74/41/432737441.db2.gz YEHHLKLDSXISOZ-INIZCTEOSA-N 1 2 315.417 3.257 20 70 DGIDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cncs1 ZINC000160737146 432738619 /nfs/dbraw/zinc/73/86/19/432738619.db2.gz TVNWMPSSZBPFAR-UHFFFAOYSA-N 1 2 303.431 3.302 20 70 DGIDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cncs1 ZINC000160737146 432738623 /nfs/dbraw/zinc/73/86/23/432738623.db2.gz TVNWMPSSZBPFAR-UHFFFAOYSA-N 1 2 303.431 3.302 20 70 DGIDLO COc1ccc(C(C)(C)C[NH2+][C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000160835087 432744141 /nfs/dbraw/zinc/74/41/41/432744141.db2.gz SOWRBTDQNROSDW-ZDUSSCGKSA-N 1 2 307.434 3.293 20 70 DGIDLO CCCC1(CNC(=O)NCCc2cn3ccccc3[nH+]2)CCC1 ZINC000159763238 292799992 /nfs/dbraw/zinc/79/99/92/292799992.db2.gz SLGODZRUVKZTTO-UHFFFAOYSA-N 1 2 314.433 3.146 20 70 DGIDLO Cc1cc(NC(=O)[C@@H]2CCCC[NH2+]2)ccc1OCC(F)(F)F ZINC000159565910 186127354 /nfs/dbraw/zinc/12/73/54/186127354.db2.gz WXVXLTVDBUTCIC-LBPRGKRZSA-N 1 2 316.323 3.017 20 70 DGIDLO Cc1cc(N2CCC(n3ccnn3)CC2)c2cccc(F)c2[nH+]1 ZINC000160228040 197393814 /nfs/dbraw/zinc/39/38/14/197393814.db2.gz AJTBGFGPLWPHKL-UHFFFAOYSA-N 1 2 311.364 3.115 20 70 DGIDLO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000160240422 277225706 /nfs/dbraw/zinc/22/57/06/277225706.db2.gz ARWMUIQADALTTL-WBVHZDCISA-N 1 2 311.429 3.349 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)n1 ZINC000159778770 432695805 /nfs/dbraw/zinc/69/58/05/432695805.db2.gz AQIJNPURHQYNRK-AWEZNQCLSA-N 1 2 300.406 3.408 20 70 DGIDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)n1 ZINC000159778770 432695810 /nfs/dbraw/zinc/69/58/10/432695810.db2.gz AQIJNPURHQYNRK-AWEZNQCLSA-N 1 2 300.406 3.408 20 70 DGIDLO CC(C)(C)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000160240700 432712237 /nfs/dbraw/zinc/71/22/37/432712237.db2.gz ARWMUIQADALTTL-RDJZCZTQSA-N 1 2 311.429 3.349 20 70 DGIDLO CCOCCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000160365455 432717464 /nfs/dbraw/zinc/71/74/64/432717464.db2.gz GDCDUUSLPREQMQ-HNNXBMFYSA-N 1 2 301.789 3.279 20 70 DGIDLO CCOCCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000160365455 432717469 /nfs/dbraw/zinc/71/74/69/432717469.db2.gz GDCDUUSLPREQMQ-HNNXBMFYSA-N 1 2 301.789 3.279 20 70 DGIDLO Fc1ccccc1Nc1nnc(SCCn2cc[nH+]c2)s1 ZINC000159367798 432681462 /nfs/dbraw/zinc/68/14/62/432681462.db2.gz FGIIBEYHIQZAGF-UHFFFAOYSA-N 1 2 321.406 3.410 20 70 DGIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161132320 432762122 /nfs/dbraw/zinc/76/21/22/432762122.db2.gz JZUZWPCACCBTIJ-AWEZNQCLSA-N 1 2 315.392 3.378 20 70 DGIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000161132320 432762124 /nfs/dbraw/zinc/76/21/24/432762124.db2.gz JZUZWPCACCBTIJ-AWEZNQCLSA-N 1 2 315.392 3.378 20 70 DGIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000161300361 432771964 /nfs/dbraw/zinc/77/19/64/432771964.db2.gz JHHGZMUJUYDBJV-HNNXBMFYSA-N 1 2 317.477 3.418 20 70 DGIDLO FC(F)(F)c1cc[nH+]c(N2CCN(c3cccs3)CC2)c1 ZINC000160672778 432734275 /nfs/dbraw/zinc/73/42/75/432734275.db2.gz DPGQPOOCIGMCAF-UHFFFAOYSA-N 1 2 313.348 3.489 20 70 DGIDLO COc1ccc2c(c1)N(Cc1c(C)[nH+]c3ccccn31)CCO2 ZINC000160850289 292823572 /nfs/dbraw/zinc/82/35/72/292823572.db2.gz SOQNQXZEHKCPIF-UHFFFAOYSA-N 1 2 309.369 3.050 20 70 DGIDLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cnn1CC(C)C ZINC000161157451 292829565 /nfs/dbraw/zinc/82/95/65/292829565.db2.gz ZDYXONNOIIHMHF-UHFFFAOYSA-N 1 2 323.400 3.286 20 70 DGIDLO O[C@@H](C1CC[NH+](Cc2cc(F)ccc2F)CC1)C(F)(F)F ZINC000161409479 292834452 /nfs/dbraw/zinc/83/44/52/292834452.db2.gz YCRMZCOBKOVWOT-ZDUSSCGKSA-N 1 2 309.278 3.100 20 70 DGIDLO Cc1cccc(C)c1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160033566 197380872 /nfs/dbraw/zinc/38/08/72/197380872.db2.gz KKEQPBYOUXNWCZ-OAHLLOKOSA-N 1 2 310.401 3.099 20 70 DGIDLO CCC(CC)(CC)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000159738529 432693618 /nfs/dbraw/zinc/69/36/18/432693618.db2.gz CMHQDJIUDSYVFJ-UHFFFAOYSA-N 1 2 302.422 3.350 20 70 DGIDLO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+](CC(F)F)C1CC1 ZINC000160059055 432705616 /nfs/dbraw/zinc/70/56/16/432705616.db2.gz HWSUKXWYUBWDMM-ZDUSSCGKSA-N 1 2 323.305 3.338 20 70 DGIDLO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+](CC(F)F)C1CC1 ZINC000160059055 432705621 /nfs/dbraw/zinc/70/56/21/432705621.db2.gz HWSUKXWYUBWDMM-ZDUSSCGKSA-N 1 2 323.305 3.338 20 70 DGIDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CCCc2sccc21 ZINC000160470663 432722617 /nfs/dbraw/zinc/72/26/17/432722617.db2.gz HEUHCNLSMAEYFO-YBJDMEARSA-N 1 2 301.415 3.172 20 70 DGIDLO C[C@@H](Cc1ccccc1Cl)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000160480909 432723500 /nfs/dbraw/zinc/72/35/00/432723500.db2.gz BMJHFKOYZYGPOW-AWEZNQCLSA-N 1 2 319.836 3.264 20 70 DGIDLO Cc1ccc(CNc2cc[nH+]c(C)n2)c(OC[C@H]2CCCO2)c1 ZINC000160487844 432723542 /nfs/dbraw/zinc/72/35/42/432723542.db2.gz DWUOUYFYROYOBV-MRXNPFEDSA-N 1 2 313.401 3.263 20 70 DGIDLO COc1ccccc1-c1nnc(C[N@H+](C)Cc2ccoc2C)o1 ZINC000159570342 432688880 /nfs/dbraw/zinc/68/88/80/432688880.db2.gz WBQVOPPIRQIVSH-UHFFFAOYSA-N 1 2 313.357 3.279 20 70 DGIDLO COc1ccccc1-c1nnc(C[N@@H+](C)Cc2ccoc2C)o1 ZINC000159570342 432688885 /nfs/dbraw/zinc/68/88/85/432688885.db2.gz WBQVOPPIRQIVSH-UHFFFAOYSA-N 1 2 313.357 3.279 20 70 DGIDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1occc1C ZINC000160943833 432751649 /nfs/dbraw/zinc/75/16/49/432751649.db2.gz KGRUOPRIYNGPOZ-UHFFFAOYSA-N 1 2 322.792 3.321 20 70 DGIDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1occc1C ZINC000160943833 432751653 /nfs/dbraw/zinc/75/16/53/432751653.db2.gz KGRUOPRIYNGPOZ-UHFFFAOYSA-N 1 2 322.792 3.321 20 70 DGIDLO CCCn1ccc2cc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)ccc21 ZINC000161047753 432756606 /nfs/dbraw/zinc/75/66/06/432756606.db2.gz GESFEFHWAXCXDM-HNNXBMFYSA-N 1 2 322.412 3.449 20 70 DGIDLO CCc1ccc(NC(=O)[C@@H](C)[N@H+](CC)Cc2ccccn2)cc1 ZINC000161118668 432761074 /nfs/dbraw/zinc/76/10/74/432761074.db2.gz RDRDPIONMJOMHH-OAHLLOKOSA-N 1 2 311.429 3.493 20 70 DGIDLO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](CC)Cc2ccccn2)cc1 ZINC000161118668 432761079 /nfs/dbraw/zinc/76/10/79/432761079.db2.gz RDRDPIONMJOMHH-OAHLLOKOSA-N 1 2 311.429 3.493 20 70 DGIDLO CCc1ccc(NC(=O)[C@H](C)[N@H+](CC)Cc2ccccn2)cc1 ZINC000161118786 432761598 /nfs/dbraw/zinc/76/15/98/432761598.db2.gz RDRDPIONMJOMHH-HNNXBMFYSA-N 1 2 311.429 3.493 20 70 DGIDLO CCc1ccc(NC(=O)[C@H](C)[N@@H+](CC)Cc2ccccn2)cc1 ZINC000161118786 432761602 /nfs/dbraw/zinc/76/16/02/432761602.db2.gz RDRDPIONMJOMHH-HNNXBMFYSA-N 1 2 311.429 3.493 20 70 DGIDLO Oc1ccccc1N1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000161264928 432770331 /nfs/dbraw/zinc/77/03/31/432770331.db2.gz VDRNGLANPRBOPU-UHFFFAOYSA-N 1 2 315.442 3.048 20 70 DGIDLO Cc1cc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)cc[nH+]1 ZINC000160559285 432728842 /nfs/dbraw/zinc/72/88/42/432728842.db2.gz YQGCKURPRZJEGG-UHFFFAOYSA-N 1 2 307.357 3.119 20 70 DGIDLO CCCc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160560542 432729291 /nfs/dbraw/zinc/72/92/91/432729291.db2.gz YFYGDOLEWXPGQT-MRXNPFEDSA-N 1 2 324.428 3.435 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000160655787 432733231 /nfs/dbraw/zinc/73/32/31/432733231.db2.gz RCKUBBJCZHWUMR-OAHLLOKOSA-N 1 2 301.365 3.221 20 70 DGIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000160655787 432733235 /nfs/dbraw/zinc/73/32/35/432733235.db2.gz RCKUBBJCZHWUMR-OAHLLOKOSA-N 1 2 301.365 3.221 20 70 DGIDLO COc1ccc2c(c1)N(Cc1c[nH+]c3ccccn13)C[C@@H](C)O2 ZINC000160801694 432743187 /nfs/dbraw/zinc/74/31/87/432743187.db2.gz WSCMBAQYMMMOLK-CYBMUJFWSA-N 1 2 309.369 3.130 20 70 DGIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000160861970 432745746 /nfs/dbraw/zinc/74/57/46/432745746.db2.gz AHBRIZSYOGAWBC-ZIAGYGMSSA-N 1 2 324.409 3.379 20 70 DGIDLO CC[C@H](C)[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)C(=O)OC(C)(C)C ZINC000160946821 292824556 /nfs/dbraw/zinc/82/45/56/292824556.db2.gz PUQFGZLEFGUCRL-LRDDRELGSA-N 1 2 317.433 3.409 20 70 DGIDLO CCc1cc(N(CCOC)CC(C)C)nc(-c2ccncc2)[nH+]1 ZINC000160918285 292824859 /nfs/dbraw/zinc/82/48/59/292824859.db2.gz USEMGCWUKJRDGG-UHFFFAOYSA-N 1 2 314.433 3.210 20 70 DGIDLO CCCCOc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160355722 520907317 /nfs/dbraw/zinc/90/73/17/520907317.db2.gz BORALJVAVIHRHK-AWEZNQCLSA-N 1 2 313.401 3.263 20 70 DGIDLO