smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000044914109 205115206 /nfs/dbraw/zinc/11/52/06/205115206.db2.gz FLBDIHGYCJQPHS-UHFFFAOYSA-N 2 1 354.498 3.092 40 0 FGABMP C[N@@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048082 494998489 /nfs/dbraw/zinc/99/84/89/494998489.db2.gz USMMEIKCFYMOMW-OAQYLSRUSA-N 2 1 369.484 3.476 40 0 FGABMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096220962 495007634 /nfs/dbraw/zinc/00/76/34/495007634.db2.gz WIURPJCWKQABRS-SFHVURJKSA-N 2 1 357.523 3.399 40 0 FGABMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096220962 495007638 /nfs/dbraw/zinc/00/76/38/495007638.db2.gz WIURPJCWKQABRS-SFHVURJKSA-N 2 1 357.523 3.399 40 0 FGABMP C[NH+](C)CCn1nc([C@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)c2cccnc21 ZINC000257310619 497402486 /nfs/dbraw/zinc/40/24/86/497402486.db2.gz UFXHLBPWUVIAKZ-MSOLQXFVSA-N 2 1 353.514 3.139 40 0 FGABMP Cc1cccc(C[N@@H+]2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)c1 ZINC000019234942 494439152 /nfs/dbraw/zinc/43/91/52/494439152.db2.gz GBFMMZJHZIAGOT-LJQANCHMSA-N 2 1 363.509 3.291 40 0 FGABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096051794 494999495 /nfs/dbraw/zinc/99/94/95/494999495.db2.gz ATGWUONFOAHKOT-HXUWFJFHSA-N 2 1 369.509 3.486 40 0 FGABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccco1)CC2 ZINC000096051785 495000276 /nfs/dbraw/zinc/00/02/76/495000276.db2.gz MDCUBZPLSOZCGN-LJQANCHMSA-N 2 1 355.482 3.178 40 0 FGABMP C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000306135773 498739850 /nfs/dbraw/zinc/73/98/50/498739850.db2.gz PAFGHSXKUBLOIC-UHFFFAOYSA-N 2 1 369.494 3.036 40 0 FGABMP C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000306135773 498739855 /nfs/dbraw/zinc/73/98/55/498739855.db2.gz PAFGHSXKUBLOIC-UHFFFAOYSA-N 2 1 369.494 3.036 40 0 FGABMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000010691110 494159574 /nfs/dbraw/zinc/15/95/74/494159574.db2.gz UNYOBCUXTOFYBN-UHFFFAOYSA-N 2 1 363.505 3.240 40 0 FGABMP CCn1cc(C[N@H+]2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)c(C)n1 ZINC000072394188 494163395 /nfs/dbraw/zinc/16/33/95/494163395.db2.gz NGNQGHMVEWLKGJ-UHFFFAOYSA-N 2 1 368.525 3.379 40 0 FGABMP C[N@H+]1CCc2nc([C@H]3CCC[NH+](Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590483 494451448 /nfs/dbraw/zinc/45/14/48/494451448.db2.gz IBGIGFLIORCKRR-SFHVURJKSA-N 2 1 373.504 3.392 40 0 FGABMP C[NH+]1CCc2nc([C@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590483 494451452 /nfs/dbraw/zinc/45/14/52/494451452.db2.gz IBGIGFLIORCKRR-SFHVURJKSA-N 2 1 373.504 3.392 40 0 FGABMP C[NH+]1CCc2nc([C@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590483 494451457 /nfs/dbraw/zinc/45/14/57/494451457.db2.gz IBGIGFLIORCKRR-SFHVURJKSA-N 2 1 373.504 3.392 40 0 FGABMP C[N@H+]1CCc2nc([C@@H]3CCC[NH+](Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590482 494451722 /nfs/dbraw/zinc/45/17/22/494451722.db2.gz IBGIGFLIORCKRR-GOSISDBHSA-N 2 1 373.504 3.392 40 0 FGABMP C[NH+]1CCc2nc([C@@H]3CCC[N@H+](Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590482 494451725 /nfs/dbraw/zinc/45/17/25/494451725.db2.gz IBGIGFLIORCKRR-GOSISDBHSA-N 2 1 373.504 3.392 40 0 FGABMP C[NH+]1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccnc5ccccc45)C3)ncc2C1 ZINC000019590482 494451729 /nfs/dbraw/zinc/45/17/29/494451729.db2.gz IBGIGFLIORCKRR-GOSISDBHSA-N 2 1 373.504 3.392 40 0 FGABMP COC[C@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](Cc1ccco1)CC2 ZINC000096207729 495006726 /nfs/dbraw/zinc/00/67/26/495006726.db2.gz HVGYOORDIPSGKO-LJQANCHMSA-N 2 1 355.482 3.178 40 0 FGABMP C[NH+](C)CC(=O)N1[C@@H]2CCCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257217854 497392267 /nfs/dbraw/zinc/39/22/67/497392267.db2.gz DAWYANVNWKJCHI-XANJAXJYSA-N 2 1 369.553 3.023 40 0 FGABMP C[NH+](C)CC(=O)N1[C@@H]2CCCC[C@@H]3[N@@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257217854 497392273 /nfs/dbraw/zinc/39/22/73/497392273.db2.gz DAWYANVNWKJCHI-XANJAXJYSA-N 2 1 369.553 3.023 40 0 FGABMP COCC[N@@H+]1C[C@H]2C[NH+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000107260156 206018126 /nfs/dbraw/zinc/01/81/26/206018126.db2.gz KTQCJPQBBIUQQF-FYYLOGMGSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[N@H+]1C[C@H]2C[NH+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000107260156 206018130 /nfs/dbraw/zinc/01/81/30/206018130.db2.gz KTQCJPQBBIUQQF-FYYLOGMGSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[NH+]1C[C@H]2C[N@H+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000107260156 206018135 /nfs/dbraw/zinc/01/81/35/206018135.db2.gz KTQCJPQBBIUQQF-FYYLOGMGSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[NH+]1C[C@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000107260156 206018138 /nfs/dbraw/zinc/01/81/38/206018138.db2.gz KTQCJPQBBIUQQF-FYYLOGMGSA-N 2 1 365.521 3.112 40 0 FGABMP CC(C)[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1O2 ZINC000096242718 495009098 /nfs/dbraw/zinc/00/90/98/495009098.db2.gz MPHLATYDUFEWJD-LJQANCHMSA-N 2 1 354.498 3.277 40 0 FGABMP Cc1ccc(C[NH+]2CCOC[C@]3(CC[C@@H](C[N@H+](C)C(C)C)O3)C2)s1 ZINC000107739561 206023703 /nfs/dbraw/zinc/02/37/03/206023703.db2.gz PXUDWTQXAAJOPA-HKUYNNGSSA-N 2 1 352.544 3.147 40 0 FGABMP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)s1 ZINC000107739561 206023707 /nfs/dbraw/zinc/02/37/07/206023707.db2.gz PXUDWTQXAAJOPA-HKUYNNGSSA-N 2 1 352.544 3.147 40 0 FGABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)s1 ZINC000107739561 206023710 /nfs/dbraw/zinc/02/37/10/206023710.db2.gz PXUDWTQXAAJOPA-HKUYNNGSSA-N 2 1 352.544 3.147 40 0 FGABMP Cn1cc(C[N@H+]2Cc3ccccc3OC3(CCC(C[NH+](C)C)CC3)C2)cn1 ZINC000012122663 494207355 /nfs/dbraw/zinc/20/73/55/494207355.db2.gz LSAODQOLHXZSQZ-UHFFFAOYSA-N 2 1 368.525 3.305 40 0 FGABMP Cc1ccc(C[NH+]2CCOC[C@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)s1 ZINC000096051985 494999581 /nfs/dbraw/zinc/99/95/81/494999581.db2.gz XZWIGDAYPLGCFS-MJGOQNOKSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)s1 ZINC000096051985 494999583 /nfs/dbraw/zinc/99/95/83/494999583.db2.gz XZWIGDAYPLGCFS-MJGOQNOKSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)s1 ZINC000096051985 494999587 /nfs/dbraw/zinc/99/95/87/494999587.db2.gz XZWIGDAYPLGCFS-MJGOQNOKSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@]3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)C2)s1 ZINC000096219863 495007478 /nfs/dbraw/zinc/00/74/78/495007478.db2.gz VPRXMYIKZUOSJM-ICSRJNTNSA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@]3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)C2)s1 ZINC000096219863 495007480 /nfs/dbraw/zinc/00/74/80/495007480.db2.gz VPRXMYIKZUOSJM-ICSRJNTNSA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[N@H+]2CC[C@]3(C[C@H]([NH+](C)Cc4ccccn4)CO3)C2)s1 ZINC000096219863 495007484 /nfs/dbraw/zinc/00/74/84/495007484.db2.gz VPRXMYIKZUOSJM-ICSRJNTNSA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H]([NH+](C)Cc4ccccn4)CO3)C2)s1 ZINC000096219863 495007486 /nfs/dbraw/zinc/00/74/86/495007486.db2.gz VPRXMYIKZUOSJM-ICSRJNTNSA-N 2 1 357.523 3.317 40 0 FGABMP COc1cccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+]4CCCC4)C3)C2)c1 ZINC000096215673 495007940 /nfs/dbraw/zinc/00/79/40/495007940.db2.gz BKVRVNRFLQHYMD-JOCHJYFZSA-N 2 1 357.542 3.079 40 0 FGABMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC000096249680 495008825 /nfs/dbraw/zinc/00/88/25/495008825.db2.gz RQNIPJLBERDSPM-UYAOXDASSA-N 2 1 357.523 3.174 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC000096249680 495008828 /nfs/dbraw/zinc/00/88/28/495008828.db2.gz RQNIPJLBERDSPM-UYAOXDASSA-N 2 1 357.523 3.174 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC000096249680 495008831 /nfs/dbraw/zinc/00/88/31/495008831.db2.gz RQNIPJLBERDSPM-UYAOXDASSA-N 2 1 357.523 3.174 40 0 FGABMP C[N@@H+]1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000306129202 498738943 /nfs/dbraw/zinc/73/89/43/498738943.db2.gz HXLXFLIGMXEYSZ-UHFFFAOYSA-N 2 1 368.529 3.013 40 0 FGABMP C[N@H+]1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000306129202 498738951 /nfs/dbraw/zinc/73/89/51/498738951.db2.gz HXLXFLIGMXEYSZ-UHFFFAOYSA-N 2 1 368.529 3.013 40 0 FGABMP COC[C@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585103880 507570082 /nfs/dbraw/zinc/57/00/82/507570082.db2.gz SUCYFXGSTNOBQS-LJQANCHMSA-N 2 1 369.509 3.344 40 0 FGABMP Cc1[nH+]ccn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2cccnc21 ZINC000019287785 494439145 /nfs/dbraw/zinc/43/91/45/494439145.db2.gz CUIWBETZPMKSSG-RLAPIPATSA-N 2 1 362.477 3.298 40 0 FGABMP Cc1[nH+]ccn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2cccnc21 ZINC000019287785 494439147 /nfs/dbraw/zinc/43/91/47/494439147.db2.gz CUIWBETZPMKSSG-RLAPIPATSA-N 2 1 362.477 3.298 40 0 FGABMP CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019523553 494447090 /nfs/dbraw/zinc/44/70/90/494447090.db2.gz XYRNGZFQEOGKTI-RTBURBONSA-N 2 1 360.546 3.339 40 0 FGABMP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[C@H](C[N@H+](C)C(C)C)O3)C2)s1 ZINC000096052312 494999524 /nfs/dbraw/zinc/99/95/24/494999524.db2.gz PXUDWTQXAAJOPA-IEBWSBKVSA-N 2 1 352.544 3.147 40 0 FGABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)s1 ZINC000096052312 494999527 /nfs/dbraw/zinc/99/95/27/494999527.db2.gz PXUDWTQXAAJOPA-IEBWSBKVSA-N 2 1 352.544 3.147 40 0 FGABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)s1 ZINC000096052312 494999529 /nfs/dbraw/zinc/99/95/29/494999529.db2.gz PXUDWTQXAAJOPA-IEBWSBKVSA-N 2 1 352.544 3.147 40 0 FGABMP CC(C)[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1O2 ZINC000096242717 495008746 /nfs/dbraw/zinc/00/87/46/495008746.db2.gz MPHLATYDUFEWJD-IBGZPJMESA-N 2 1 354.498 3.277 40 0 FGABMP Cc1ccc([C@@H](C)CC[NH2+]C[C@H]2CC[C@@]3(COCC[N@H+](C(C)C)C3)O2)o1 ZINC000247904698 496926749 /nfs/dbraw/zinc/92/67/49/496926749.db2.gz JKSGYUVYDVUQAA-FBBABVLZSA-N 2 1 364.530 3.330 40 0 FGABMP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000257331961 497403406 /nfs/dbraw/zinc/40/34/06/497403406.db2.gz XVCGATLBJWXVKM-LJQANCHMSA-N 2 1 358.461 3.202 40 0 FGABMP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000257331961 497403410 /nfs/dbraw/zinc/40/34/10/497403410.db2.gz XVCGATLBJWXVKM-LJQANCHMSA-N 2 1 358.461 3.202 40 0 FGABMP C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306133366 498740631 /nfs/dbraw/zinc/74/06/31/498740631.db2.gz MJQNKJAZUAQPRM-UHFFFAOYSA-N 2 1 369.494 3.036 40 0 FGABMP C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306133366 498740638 /nfs/dbraw/zinc/74/06/38/498740638.db2.gz MJQNKJAZUAQPRM-UHFFFAOYSA-N 2 1 369.494 3.036 40 0 FGABMP COC[C@@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585103658 507571415 /nfs/dbraw/zinc/57/14/15/507571415.db2.gz QTEIIGFWKSHLQB-NRFANRHFSA-N 2 1 365.521 3.442 40 0 FGABMP COc1ccc(C[NH2+][C@H]2C[C@@H](Cc3cc(C[NH+](C)C)on3)C2(C)C)cc1 ZINC000067889793 204313036 /nfs/dbraw/zinc/31/30/36/204313036.db2.gz BPEHSYGQYJKROV-UZLBHIALSA-N 2 1 357.498 3.492 40 0 biogenic,in-vitro FGABMP C[NH+]1CCC(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000113935300 206092303 /nfs/dbraw/zinc/09/23/03/206092303.db2.gz UINFYQNADUTBAB-UHFFFAOYSA-N 2 1 363.505 3.069 40 0 FGABMP CCOc1ccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1 ZINC000019533211 494447789 /nfs/dbraw/zinc/44/77/89/494447789.db2.gz SPCPLCITMQLUNV-UHFFFAOYSA-N 2 1 366.509 3.243 40 0 FGABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656788 494453944 /nfs/dbraw/zinc/45/39/44/494453944.db2.gz ZIPFSOSEGZLZHA-QGZVFWFLSA-N 2 1 353.445 3.429 40 0 FGABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656788 494453949 /nfs/dbraw/zinc/45/39/49/494453949.db2.gz ZIPFSOSEGZLZHA-QGZVFWFLSA-N 2 1 353.445 3.429 40 0 FGABMP Cc1ccc(C[NH+]2CCOC[C@@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)s1 ZINC000096051986 495000343 /nfs/dbraw/zinc/00/03/43/495000343.db2.gz XZWIGDAYPLGCFS-IEBWSBKVSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)s1 ZINC000096051986 495000344 /nfs/dbraw/zinc/00/03/44/495000344.db2.gz XZWIGDAYPLGCFS-IEBWSBKVSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)s1 ZINC000096051986 495000345 /nfs/dbraw/zinc/00/03/45/495000345.db2.gz XZWIGDAYPLGCFS-IEBWSBKVSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@@]3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)C2)s1 ZINC000096219865 495007894 /nfs/dbraw/zinc/00/78/94/495007894.db2.gz VPRXMYIKZUOSJM-AZUAARDMSA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@@]3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)C2)s1 ZINC000096219865 495007898 /nfs/dbraw/zinc/00/78/98/495007898.db2.gz VPRXMYIKZUOSJM-AZUAARDMSA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[N@H+]2CC[C@@]3(C[C@H]([NH+](C)Cc4ccccn4)CO3)C2)s1 ZINC000096219865 495007901 /nfs/dbraw/zinc/00/79/01/495007901.db2.gz VPRXMYIKZUOSJM-AZUAARDMSA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H]([NH+](C)Cc4ccccn4)CO3)C2)s1 ZINC000096219865 495007903 /nfs/dbraw/zinc/00/79/03/495007903.db2.gz VPRXMYIKZUOSJM-AZUAARDMSA-N 2 1 357.523 3.317 40 0 FGABMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C2CCC2)C3)c1 ZINC000096215139 495007967 /nfs/dbraw/zinc/00/79/67/495007967.db2.gz NKYLKIMBHCNPLK-IFMALSPDSA-N 2 1 355.526 3.185 40 0 FGABMP c1cncc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C2CCC2)C3)c1 ZINC000096215139 495007969 /nfs/dbraw/zinc/00/79/69/495007969.db2.gz NKYLKIMBHCNPLK-IFMALSPDSA-N 2 1 355.526 3.185 40 0 FGABMP c1cncc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C2CCC2)C3)c1 ZINC000096215139 495007971 /nfs/dbraw/zinc/00/79/71/495007971.db2.gz NKYLKIMBHCNPLK-IFMALSPDSA-N 2 1 355.526 3.185 40 0 FGABMP CC(=O)N1CCC2(CC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC000096268706 495008529 /nfs/dbraw/zinc/00/85/29/495008529.db2.gz ARUZGUPSFJUPFW-UHFFFAOYSA-N 2 1 369.553 3.233 40 0 FGABMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000012224217 494215680 /nfs/dbraw/zinc/21/56/80/494215680.db2.gz QXXHCGQKVVZQAR-KRWDZBQOSA-N 2 1 364.497 3.145 40 0 FGABMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000012224217 494215685 /nfs/dbraw/zinc/21/56/85/494215685.db2.gz QXXHCGQKVVZQAR-KRWDZBQOSA-N 2 1 364.497 3.145 40 0 FGABMP C[N@@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048071 494998430 /nfs/dbraw/zinc/99/84/30/494998430.db2.gz FLDVUBKCBKMQGF-SFHVURJKSA-N 2 1 357.523 3.399 40 0 FGABMP CNc1cc(C[N@H+](C)Cc2cccc3cccnc32)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759851 494460344 /nfs/dbraw/zinc/46/03/44/494460344.db2.gz ROEXSMXWLRIDLC-GOSISDBHSA-N 2 1 362.481 3.123 40 0 FGABMP CNc1cc(C[N@@H+](C)Cc2cccc3cccnc32)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759851 494460348 /nfs/dbraw/zinc/46/03/48/494460348.db2.gz ROEXSMXWLRIDLC-GOSISDBHSA-N 2 1 362.481 3.123 40 0 FGABMP Cn1cncc1C[N@@H+]1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257211763 497390072 /nfs/dbraw/zinc/39/00/72/497390072.db2.gz CAHLFJFYFJJSTE-ZJOUEHCJSA-N 2 1 370.472 3.324 40 0 FGABMP Cc1nccn1Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260892806 497407216 /nfs/dbraw/zinc/40/72/16/497407216.db2.gz DRELPHFGBHEDGY-KRWDZBQOSA-N 2 1 354.498 3.092 40 0 FGABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260892806 497407219 /nfs/dbraw/zinc/40/72/19/497407219.db2.gz DRELPHFGBHEDGY-KRWDZBQOSA-N 2 1 354.498 3.092 40 0 FGABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260892806 497407229 /nfs/dbraw/zinc/40/72/29/497407229.db2.gz DRELPHFGBHEDGY-KRWDZBQOSA-N 2 1 354.498 3.092 40 0 FGABMP C[N@@H+]1CCN(C(=O)CC2CCC3(CC[NH2+]CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000096268213 209147675 /nfs/dbraw/zinc/14/76/75/209147675.db2.gz DPCGROMKFAFCSX-OAQYLSRUSA-N 2 1 369.553 3.452 40 0 FGABMP C[N@H+]1CCN(C(=O)CC2CCC3(CC[NH2+]CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000096268213 209147676 /nfs/dbraw/zinc/14/76/76/209147676.db2.gz DPCGROMKFAFCSX-OAQYLSRUSA-N 2 1 369.553 3.452 40 0 FGABMP C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047978 209100433 /nfs/dbraw/zinc/10/04/33/209100433.db2.gz DMWHUJZRQITVLD-LJQANCHMSA-N 2 1 357.523 3.399 40 0 FGABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c2cccnc21 ZINC000019293387 494440872 /nfs/dbraw/zinc/44/08/72/494440872.db2.gz MZTICSVXNQGYSW-HNNXBMFYSA-N 2 1 355.873 3.033 40 0 FGABMP COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH+](Cc1ccco1)CC2 ZINC000096208104 209134219 /nfs/dbraw/zinc/13/42/19/209134219.db2.gz DWIAHKPKJPYAOT-LJQANCHMSA-N 2 1 355.482 3.178 40 0 FGABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019348806 494441819 /nfs/dbraw/zinc/44/18/19/494441819.db2.gz UJRIRDBKKZRMPD-OAHLLOKOSA-N 2 1 355.873 3.033 40 0 FGABMP Cc1ncsc1CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257206149 497390953 /nfs/dbraw/zinc/39/09/53/497390953.db2.gz BCBFLPGTNBPUMQ-PMACEKPBSA-N 2 1 357.523 3.053 40 0 FGABMP Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000257322379 497403998 /nfs/dbraw/zinc/40/39/98/497403998.db2.gz WFSVHGBAUBFGAP-LJQANCHMSA-N 2 1 358.507 3.391 40 0 FGABMP C[N@@H+]1CCN(C(=O)CC2CCC3(CC[NH2+]CC3)CC2)[C@H](c2ccccc2)C1 ZINC000096268212 209147294 /nfs/dbraw/zinc/14/72/94/209147294.db2.gz DPCGROMKFAFCSX-NRFANRHFSA-N 2 1 369.553 3.452 40 0 FGABMP C[N@H+]1CCN(C(=O)CC2CCC3(CC[NH2+]CC3)CC2)[C@H](c2ccccc2)C1 ZINC000096268212 209147296 /nfs/dbraw/zinc/14/72/96/209147296.db2.gz DPCGROMKFAFCSX-NRFANRHFSA-N 2 1 369.553 3.452 40 0 FGABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000044907940 208322901 /nfs/dbraw/zinc/32/29/01/208322901.db2.gz AIBUUHOXMZCKQJ-UHFFFAOYSA-N 2 1 354.498 3.236 40 0 FGABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019348808 494442245 /nfs/dbraw/zinc/44/22/45/494442245.db2.gz UJRIRDBKKZRMPD-HNNXBMFYSA-N 2 1 355.873 3.033 40 0 FGABMP COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccccn4)C[C@H]2C3)cc1 ZINC000306126257 498737060 /nfs/dbraw/zinc/73/70/60/498737060.db2.gz DQYZLQZDJUSFPC-QZTJIDSGSA-N 2 1 360.461 3.258 40 0 FGABMP Cc1nc2ccccc2n1[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248082618 496953068 /nfs/dbraw/zinc/95/30/68/496953068.db2.gz AQLZRZVJOJXQQV-KKSFZXQISA-N 2 1 362.477 3.421 40 0 FGABMP COC[C@@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585103876 507571186 /nfs/dbraw/zinc/57/11/86/507571186.db2.gz SUCYFXGSTNOBQS-IBGZPJMESA-N 2 1 369.509 3.344 40 0 FGABMP CCc1ncc(C[N@@H+](C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cn1 ZINC000019523288 494447861 /nfs/dbraw/zinc/44/78/61/494447861.db2.gz JHMAYBRHKHCKQT-UHFFFAOYSA-N 2 1 366.509 3.334 40 0 FGABMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096220960 209138282 /nfs/dbraw/zinc/13/82/82/209138282.db2.gz WIURPJCWKQABRS-GOSISDBHSA-N 2 1 357.523 3.399 40 0 FGABMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096220960 209138287 /nfs/dbraw/zinc/13/82/87/209138287.db2.gz WIURPJCWKQABRS-GOSISDBHSA-N 2 1 357.523 3.399 40 0 FGABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](Cc1ccco1)CC2 ZINC000096207728 209134197 /nfs/dbraw/zinc/13/41/97/209134197.db2.gz HVGYOORDIPSGKO-IBGZPJMESA-N 2 1 355.482 3.178 40 0 FGABMP COc1ncccc1C[NH+]1CCC2(CC[N@H+](Cc3nccs3)C2)CC1 ZINC000096157444 209125694 /nfs/dbraw/zinc/12/56/94/209125694.db2.gz SJSXOICVOSTHJH-UHFFFAOYSA-N 2 1 358.511 3.035 40 0 FGABMP COc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3nccs3)C2)CC1 ZINC000096157444 209125698 /nfs/dbraw/zinc/12/56/98/209125698.db2.gz SJSXOICVOSTHJH-UHFFFAOYSA-N 2 1 358.511 3.035 40 0 FGABMP COc1cccc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)c1 ZINC000012086098 207336477 /nfs/dbraw/zinc/33/64/77/207336477.db2.gz PHJTTXSGIYSPGY-UHFFFAOYSA-N 2 1 362.477 3.175 40 0 FGABMP C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047975 209100863 /nfs/dbraw/zinc/10/08/63/209100863.db2.gz CEIZHMUPPUKTDE-SFHVURJKSA-N 2 1 357.523 3.399 40 0 FGABMP C[C@H]1Cc2ccccc2CN1c1cc(NCC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000328996716 132372397 /nfs/dbraw/zinc/37/23/97/132372397.db2.gz JMKUWUGJFDKADU-HNNXBMFYSA-N 2 1 351.498 3.279 40 0 FGABMP C[N@H+]1CCc2nc(C3CC[NH+](Cc4cccc(Cl)c4)CC3)ncc2C1 ZINC000019590715 494451009 /nfs/dbraw/zinc/45/10/09/494451009.db2.gz CBXLOWJQMQFJOT-UHFFFAOYSA-N 2 1 356.901 3.498 40 0 FGABMP CN(CC[NH+](C)C)C1CC[NH+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000019582449 494451235 /nfs/dbraw/zinc/45/12/35/494451235.db2.gz UUQCBMUXEOPJER-UHFFFAOYSA-N 2 1 360.933 3.346 40 0 FGABMP CNc1cc(C[N@H+](C)Cc2ccnc3ccccc23)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759883 494460296 /nfs/dbraw/zinc/46/02/96/494460296.db2.gz DVWIJVCZOFSBEU-LJQANCHMSA-N 2 1 362.481 3.123 40 0 FGABMP CNc1cc(C[N@@H+](C)Cc2ccnc3ccccc23)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759883 494460299 /nfs/dbraw/zinc/46/02/99/494460299.db2.gz DVWIJVCZOFSBEU-LJQANCHMSA-N 2 1 362.481 3.123 40 0 FGABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585102708 507568488 /nfs/dbraw/zinc/56/84/88/507568488.db2.gz BGCBMQWRQWCAGS-QGZVFWFLSA-N 2 1 364.555 3.088 40 0 FGABMP COCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000096251765 209143885 /nfs/dbraw/zinc/14/38/85/209143885.db2.gz KTQCJPQBBIUQQF-JTHBVZDNSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000096251765 209143887 /nfs/dbraw/zinc/14/38/87/209143887.db2.gz KTQCJPQBBIUQQF-JTHBVZDNSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000096251765 209143890 /nfs/dbraw/zinc/14/38/90/209143890.db2.gz KTQCJPQBBIUQQF-JTHBVZDNSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@]2(c2ccccc2)C1 ZINC000096251765 209143895 /nfs/dbraw/zinc/14/38/95/209143895.db2.gz KTQCJPQBBIUQQF-JTHBVZDNSA-N 2 1 365.521 3.112 40 0 FGABMP COc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2)ccc1OCCC[NH+](C)C ZINC000257323608 497403520 /nfs/dbraw/zinc/40/35/20/497403520.db2.gz WLBKMNULAOWOCF-FQEVSTJZSA-N 2 1 372.509 3.191 40 0 FGABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)Cc1ccccc12 ZINC000096242387 222097417 /nfs/dbraw/zinc/09/74/17/222097417.db2.gz DFLYSNUXMGIASF-UHFFFAOYSA-N 2 1 350.462 3.395 40 0 FGABMP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072355572 494157042 /nfs/dbraw/zinc/15/70/42/494157042.db2.gz MHFXLIFLZKZMBS-GOSISDBHSA-N 2 1 363.465 3.229 40 0 FGABMP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000072355572 494157047 /nfs/dbraw/zinc/15/70/47/494157047.db2.gz MHFXLIFLZKZMBS-GOSISDBHSA-N 2 1 363.465 3.229 40 0 FGABMP c1ccc(-c2cc(C[NH2+]CCC[NH+]3CCCCCC3)c3nnnn3c2)cc1 ZINC000012224340 494216024 /nfs/dbraw/zinc/21/60/24/494216024.db2.gz KCULUWYEZHWMHB-UHFFFAOYSA-N 2 1 364.497 3.147 40 0 FGABMP COc1ccccc1C[NH2+][C@H]1C[C@@H](Cc2cc(C[NH+](C)C)on2)C1(C)C ZINC000067890215 494684319 /nfs/dbraw/zinc/68/43/19/494684319.db2.gz KAQKZLALRFZOCF-UZLBHIALSA-N 2 1 357.498 3.492 40 0 biogenic,in-vitro FGABMP C[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3cccc4ccccc43)C2)O1 ZINC000306142394 210057731 /nfs/dbraw/zinc/05/77/31/210057731.db2.gz WYJLVFPJOJSAGE-IRLDBZIGSA-N 2 1 354.494 3.151 40 0 FGABMP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCC[N@H+]2C)c1 ZINC000257226235 223027884 /nfs/dbraw/zinc/02/78/84/223027884.db2.gz FJSUZEUAYLZTIY-IBGZPJMESA-N 2 1 366.509 3.024 40 0 FGABMP OCC[N@@H+](Cc1c2cccnc2[nH]c1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000019371509 211218846 /nfs/dbraw/zinc/21/88/46/211218846.db2.gz AYIJLZVSEQULGJ-GOSISDBHSA-N 2 1 364.493 3.024 40 0 FGABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccoc1)CC2 ZINC000096240365 222095864 /nfs/dbraw/zinc/09/58/64/222095864.db2.gz VGHFRVMDUFRUCU-FQEVSTJZSA-N 2 1 355.482 3.178 40 0 FGABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096208108 222078898 /nfs/dbraw/zinc/07/88/98/222078898.db2.gz AXJNDWRTFDYLAG-FQEVSTJZSA-N 2 1 355.482 3.178 40 0 FGABMP COC[C@@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](CC1CCC1)CC2 ZINC000247940451 496930044 /nfs/dbraw/zinc/93/00/44/496930044.db2.gz GCSYFPPUXXQFKM-SFHVURJKSA-N 2 1 363.571 3.412 40 0 FGABMP COC[C@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585104083 507571351 /nfs/dbraw/zinc/57/13/51/507571351.db2.gz VXWFKEMOZRJRJP-JOCHJYFZSA-N 2 1 372.553 3.274 40 0 FGABMP CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019523555 211227874 /nfs/dbraw/zinc/22/78/74/211227874.db2.gz XYRNGZFQEOGKTI-MOPGFXCFSA-N 2 1 360.546 3.339 40 0 FGABMP COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096208116 222078312 /nfs/dbraw/zinc/07/83/12/222078312.db2.gz AKALAZBMSICJPZ-FQEVSTJZSA-N 2 1 355.482 3.178 40 0 FGABMP COc1ccc(C[NH+]2CCC(c3nccnc3-n3cc[nH+]c3C)CC2)cc1 ZINC000072350513 494156436 /nfs/dbraw/zinc/15/64/36/494156436.db2.gz BCJAJGVJAKFZHZ-UHFFFAOYSA-N 2 1 363.465 3.359 40 0 FGABMP C[NH+](C)CCn1nc([C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)c2cccnc21 ZINC000019583280 211239107 /nfs/dbraw/zinc/23/91/07/211239107.db2.gz UFXHLBPWUVIAKZ-ZWKOTPCHSA-N 2 1 353.514 3.139 40 0 FGABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096051795 222003892 /nfs/dbraw/zinc/00/38/92/222003892.db2.gz ATGWUONFOAHKOT-FQEVSTJZSA-N 2 1 369.509 3.486 40 0 FGABMP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1cccs1)CCC2 ZINC000096055899 222005246 /nfs/dbraw/zinc/00/52/46/222005246.db2.gz FAAPZIGNTRXMHH-LPHOPBHVSA-N 2 1 350.528 3.234 40 0 FGABMP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1cccs1)CCC2 ZINC000096055899 222005250 /nfs/dbraw/zinc/00/52/50/222005250.db2.gz FAAPZIGNTRXMHH-LPHOPBHVSA-N 2 1 350.528 3.234 40 0 FGABMP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1cccs1)CCC2 ZINC000096055899 222005254 /nfs/dbraw/zinc/00/52/54/222005254.db2.gz FAAPZIGNTRXMHH-LPHOPBHVSA-N 2 1 350.528 3.234 40 0 FGABMP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096055899 222005257 /nfs/dbraw/zinc/00/52/57/222005257.db2.gz FAAPZIGNTRXMHH-LPHOPBHVSA-N 2 1 350.528 3.234 40 0 FGABMP C[NH+](C)Cc1ccc(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000012148202 494209509 /nfs/dbraw/zinc/20/95/09/494209509.db2.gz BSSWAECRIMRGCQ-NRFANRHFSA-N 2 1 365.521 3.184 40 0 FGABMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000012224211 494216051 /nfs/dbraw/zinc/21/60/51/494216051.db2.gz QXXHCGQKVVZQAR-QGZVFWFLSA-N 2 1 364.497 3.145 40 0 FGABMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000012224211 494216053 /nfs/dbraw/zinc/21/60/53/494216053.db2.gz QXXHCGQKVVZQAR-QGZVFWFLSA-N 2 1 364.497 3.145 40 0 FGABMP C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096047974 494998295 /nfs/dbraw/zinc/99/82/95/494998295.db2.gz CEIZHMUPPUKTDE-GOSISDBHSA-N 2 1 357.523 3.399 40 0 FGABMP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC000257226236 223027505 /nfs/dbraw/zinc/02/75/05/223027505.db2.gz FJSUZEUAYLZTIY-LJQANCHMSA-N 2 1 366.509 3.024 40 0 FGABMP CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019523554 211227470 /nfs/dbraw/zinc/22/74/70/211227470.db2.gz XYRNGZFQEOGKTI-RBUKOAKNSA-N 2 1 360.546 3.339 40 0 FGABMP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072355573 494157435 /nfs/dbraw/zinc/15/74/35/494157435.db2.gz MHFXLIFLZKZMBS-SFHVURJKSA-N 2 1 363.465 3.229 40 0 FGABMP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)n1 ZINC000072355573 494157439 /nfs/dbraw/zinc/15/74/39/494157439.db2.gz MHFXLIFLZKZMBS-SFHVURJKSA-N 2 1 363.465 3.229 40 0 FGABMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccncc4)CO3)CC2)o1 ZINC000096048078 494998582 /nfs/dbraw/zinc/99/85/82/494998582.db2.gz KJKPHSOCANYJJO-IBGZPJMESA-N 2 1 355.482 3.239 40 0 FGABMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048045 494998684 /nfs/dbraw/zinc/99/86/84/494998684.db2.gz UQNUZWDFTFDJSL-SFHVURJKSA-N 2 1 357.523 3.399 40 0 FGABMP COC[C@@H]1C[N@@H+](Cc2cccnc2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000248133161 496959859 /nfs/dbraw/zinc/95/98/59/496959859.db2.gz ZMBXCULGPJBGAW-FQEVSTJZSA-N 2 1 369.509 3.344 40 0 FGABMP COc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)ccc1OCCC[NH+](C)C ZINC000257323609 497404127 /nfs/dbraw/zinc/40/41/27/497404127.db2.gz WLBKMNULAOWOCF-HXUWFJFHSA-N 2 1 372.509 3.191 40 0 FGABMP C[N@H+]1CCc2nc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)ncc2C1 ZINC000019590714 211240357 /nfs/dbraw/zinc/24/03/57/211240357.db2.gz UGMJSSNECTTXSF-UHFFFAOYSA-N 2 1 373.504 3.392 40 0 FGABMP CNc1cc(C[N@@H+](C)Cc2cccc3ncccc23)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759956 494460470 /nfs/dbraw/zinc/46/04/70/494460470.db2.gz KDOYBQVJEUSBEL-LJQANCHMSA-N 2 1 362.481 3.123 40 0 FGABMP C[N@@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048074 494998736 /nfs/dbraw/zinc/99/87/36/494998736.db2.gz ZSEFMFNQHRMMOY-LJQANCHMSA-N 2 1 357.523 3.399 40 0 FGABMP CCc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC000019523624 220265260 /nfs/dbraw/zinc/26/52/60/220265260.db2.gz HIZXMHWFRONMER-UHFFFAOYSA-N 2 1 368.525 3.073 40 0 FGABMP CCOc1ccc(CN2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019533364 220268840 /nfs/dbraw/zinc/26/88/40/220268840.db2.gz CZLCWJHWNNONNS-GOSISDBHSA-N 2 1 366.509 3.243 40 0 FGABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585102707 507567554 /nfs/dbraw/zinc/56/75/54/507567554.db2.gz BGCBMQWRQWCAGS-KRWDZBQOSA-N 2 1 364.555 3.088 40 0 FGABMP C[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccsc3)C2)C1 ZINC000096217295 222082188 /nfs/dbraw/zinc/08/21/88/222082188.db2.gz VWLMMULGNQXELN-UYAOXDASSA-N 2 1 357.523 3.114 40 0 FGABMP C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccsc3)C2)C1 ZINC000096217295 222082193 /nfs/dbraw/zinc/08/21/93/222082193.db2.gz VWLMMULGNQXELN-UYAOXDASSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096217295 222082196 /nfs/dbraw/zinc/08/21/96/222082196.db2.gz VWLMMULGNQXELN-UYAOXDASSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096217295 222082201 /nfs/dbraw/zinc/08/22/01/222082201.db2.gz VWLMMULGNQXELN-UYAOXDASSA-N 2 1 357.523 3.114 40 0 FGABMP COC[C@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](CC1CCC1)CC2 ZINC000247940443 496930364 /nfs/dbraw/zinc/93/03/64/496930364.db2.gz GCSYFPPUXXQFKM-GOSISDBHSA-N 2 1 363.571 3.412 40 0 FGABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCc2cccc(N)c2)c1 ZINC000001701932 534961074 /nfs/dbraw/zinc/96/10/74/534961074.db2.gz WNZMAGKIGDUEIH-UHFFFAOYSA-N 2 1 364.497 3.020 40 0 FGABMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C2CCC2)C3)c1 ZINC000096215165 222080631 /nfs/dbraw/zinc/08/06/31/222080631.db2.gz NKYLKIMBHCNPLK-RBBKRZOGSA-N 2 1 355.526 3.185 40 0 FGABMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C2CCC2)C3)c1 ZINC000096215165 222080635 /nfs/dbraw/zinc/08/06/35/222080635.db2.gz NKYLKIMBHCNPLK-RBBKRZOGSA-N 2 1 355.526 3.185 40 0 FGABMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C2CCC2)C3)c1 ZINC000096215165 222080639 /nfs/dbraw/zinc/08/06/39/222080639.db2.gz NKYLKIMBHCNPLK-RBBKRZOGSA-N 2 1 355.526 3.185 40 0 FGABMP c1ccc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](CC2CC2)C3)nc1 ZINC000096220286 222083119 /nfs/dbraw/zinc/08/31/19/222083119.db2.gz QTIHXFDQNHHRNT-IRLDBZIGSA-N 2 1 355.526 3.042 40 0 FGABMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](CC2CC2)C3)nc1 ZINC000096220286 222083121 /nfs/dbraw/zinc/08/31/21/222083121.db2.gz QTIHXFDQNHHRNT-IRLDBZIGSA-N 2 1 355.526 3.042 40 0 FGABMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](CC2CC2)C3)nc1 ZINC000096220286 222083125 /nfs/dbraw/zinc/08/31/25/222083125.db2.gz QTIHXFDQNHHRNT-IRLDBZIGSA-N 2 1 355.526 3.042 40 0 FGABMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC000096055180 222004574 /nfs/dbraw/zinc/00/45/74/222004574.db2.gz CPERSQQVLXVPMY-UYAOXDASSA-N 2 1 357.523 3.174 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC000096055180 222004577 /nfs/dbraw/zinc/00/45/77/222004577.db2.gz CPERSQQVLXVPMY-UYAOXDASSA-N 2 1 357.523 3.174 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC000096055180 222004581 /nfs/dbraw/zinc/00/45/81/222004581.db2.gz CPERSQQVLXVPMY-UYAOXDASSA-N 2 1 357.523 3.174 40 0 FGABMP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215384 222079936 /nfs/dbraw/zinc/07/99/36/222079936.db2.gz NQYICAJOUNIOJP-JOCHJYFZSA-N 2 1 372.509 3.130 40 0 FGABMP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215384 222079939 /nfs/dbraw/zinc/07/99/39/222079939.db2.gz NQYICAJOUNIOJP-JOCHJYFZSA-N 2 1 372.509 3.130 40 0 FGABMP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215384 222079942 /nfs/dbraw/zinc/07/99/42/222079942.db2.gz NQYICAJOUNIOJP-JOCHJYFZSA-N 2 1 372.509 3.130 40 0 FGABMP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215384 222079944 /nfs/dbraw/zinc/07/99/44/222079944.db2.gz NQYICAJOUNIOJP-JOCHJYFZSA-N 2 1 372.509 3.130 40 0 FGABMP Cc1ncc(-c2cc(CC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccn2)n1C ZINC000257309673 534720456 /nfs/dbraw/zinc/72/04/56/534720456.db2.gz UBXBENGZCZTWGC-UHFFFAOYSA-N 2 1 367.541 3.139 40 0 FGABMP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000257331960 534734439 /nfs/dbraw/zinc/73/44/39/534734439.db2.gz XVCGATLBJWXVKM-IBGZPJMESA-N 2 1 358.461 3.202 40 0 FGABMP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000257331960 534734444 /nfs/dbraw/zinc/73/44/44/534734444.db2.gz XVCGATLBJWXVKM-IBGZPJMESA-N 2 1 358.461 3.202 40 0 FGABMP COc1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc(C(C)C)[nH+]1)C2 ZINC000328982079 132372177 /nfs/dbraw/zinc/37/21/77/132372177.db2.gz GXWWQPZDSYXSQL-UHFFFAOYSA-N 2 1 369.513 3.145 40 0 FGABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccco1)CC2 ZINC000096051784 222003549 /nfs/dbraw/zinc/00/35/49/222003549.db2.gz MDCUBZPLSOZCGN-IBGZPJMESA-N 2 1 355.482 3.178 40 0 FGABMP C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096218042 222082562 /nfs/dbraw/zinc/08/25/62/222082562.db2.gz SEZDSOYMOFHVGJ-RBBKRZOGSA-N 2 1 351.494 3.052 40 0 FGABMP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096218042 222082564 /nfs/dbraw/zinc/08/25/64/222082564.db2.gz SEZDSOYMOFHVGJ-RBBKRZOGSA-N 2 1 351.494 3.052 40 0 FGABMP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096218042 222082569 /nfs/dbraw/zinc/08/25/69/222082569.db2.gz SEZDSOYMOFHVGJ-RBBKRZOGSA-N 2 1 351.494 3.052 40 0 FGABMP COc1ccccc1C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCN12 ZINC000072327124 494152513 /nfs/dbraw/zinc/15/25/13/494152513.db2.gz FYOPOVKPQKXUOQ-UHFFFAOYSA-N 2 1 362.477 3.175 40 0 FGABMP C[NH+](C)CC1CCC2(CC1)C[N@@H+](C[C@@H]1CCOC1)Cc1ccccc1O2 ZINC000012122641 494207376 /nfs/dbraw/zinc/20/73/76/494207376.db2.gz BDJVYOPIPCQDPB-LVIWNVNYSA-N 2 1 358.526 3.408 40 0 FGABMP Cc1ccccc1C[N@@H+]1CC[C@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019237162 494439282 /nfs/dbraw/zinc/43/92/82/494439282.db2.gz ZXIBUISPYAABNN-IBGZPJMESA-N 2 1 363.509 3.291 40 0 FGABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c2cccnc21 ZINC000019293386 494440734 /nfs/dbraw/zinc/44/07/34/494440734.db2.gz MZTICSVXNQGYSW-OAHLLOKOSA-N 2 1 355.873 3.033 40 0 FGABMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656790 494453708 /nfs/dbraw/zinc/45/37/08/494453708.db2.gz ZIPFSOSEGZLZHA-KRWDZBQOSA-N 2 1 353.445 3.429 40 0 FGABMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656790 494453711 /nfs/dbraw/zinc/45/37/11/494453711.db2.gz ZIPFSOSEGZLZHA-KRWDZBQOSA-N 2 1 353.445 3.429 40 0 FGABMP CNc1cc(C[N@@H+](C)Cc2cccc3ncccc23)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759954 494460418 /nfs/dbraw/zinc/46/04/18/494460418.db2.gz KDOYBQVJEUSBEL-IBGZPJMESA-N 2 1 362.481 3.123 40 0 FGABMP Cc1noc(C)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC000096158678 495005407 /nfs/dbraw/zinc/00/54/07/495005407.db2.gz CRTBVDPALYSELM-QGZVFWFLSA-N 2 1 359.470 3.140 40 0 FGABMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccncc4)CO3)CC2)o1 ZINC000096048079 494998765 /nfs/dbraw/zinc/99/87/65/494998765.db2.gz KJKPHSOCANYJJO-LJQANCHMSA-N 2 1 355.482 3.239 40 0 FGABMP Cn1ccnc1C[NH2+][C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096079039 495000606 /nfs/dbraw/zinc/00/06/06/495000606.db2.gz NBCJOGDDSFCUTR-HXUWFJFHSA-N 2 1 350.510 3.398 40 0 FGABMP COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585104127 507570563 /nfs/dbraw/zinc/57/05/63/507570563.db2.gz WSCKQRJJBLEEKB-GOSISDBHSA-N 2 1 364.555 3.088 40 0 FGABMP C[C@@H]1Cc2ccccc2CN1c1cc(NCC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000328996717 132372452 /nfs/dbraw/zinc/37/24/52/132372452.db2.gz JMKUWUGJFDKADU-OAHLLOKOSA-N 2 1 351.498 3.279 40 0 FGABMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cnc(N3CCC[C@H](C)C3)nc2)CC1 ZINC000019715675 494457643 /nfs/dbraw/zinc/45/76/43/494457643.db2.gz XNZULNFLLWDXHL-KRWDZBQOSA-N 2 1 368.529 3.130 40 0 FGABMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)o1 ZINC000096048050 494998101 /nfs/dbraw/zinc/99/81/01/494998101.db2.gz BSNWHPPWSAAKDD-IBGZPJMESA-N 2 1 355.482 3.239 40 0 FGABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)NC1(C[NH+]2CCC(C)CC2)CCCCC1 ZINC000019287758 494439401 /nfs/dbraw/zinc/43/94/01/494439401.db2.gz AEYAPZFHTMSYPR-GOSISDBHSA-N 2 1 360.546 3.379 40 0 FGABMP Cn1ccnc1C[NH2+][C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000096079040 495000572 /nfs/dbraw/zinc/00/05/72/495000572.db2.gz NBCJOGDDSFCUTR-FQEVSTJZSA-N 2 1 350.510 3.398 40 0 FGABMP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000257244896 497394387 /nfs/dbraw/zinc/39/43/87/497394387.db2.gz INHADHGKPUCPFM-IBGZPJMESA-N 2 1 366.509 3.024 40 0 FGABMP Cc1ccc(C[NH+]2CCOC[C@]3(CC[C@H](C[N@H+](C)C(C)C)O3)C2)s1 ZINC000096052311 494999917 /nfs/dbraw/zinc/99/99/17/494999917.db2.gz PXUDWTQXAAJOPA-MJGOQNOKSA-N 2 1 352.544 3.147 40 0 FGABMP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)s1 ZINC000096052311 494999922 /nfs/dbraw/zinc/99/99/22/494999922.db2.gz PXUDWTQXAAJOPA-MJGOQNOKSA-N 2 1 352.544 3.147 40 0 FGABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C(C)C)O3)C2)s1 ZINC000096052311 494999926 /nfs/dbraw/zinc/99/99/26/494999926.db2.gz PXUDWTQXAAJOPA-MJGOQNOKSA-N 2 1 352.544 3.147 40 0 FGABMP COc1cccc(F)c1CN1CCC[C@@H]1c1nc(C)ncc1CN(C)C ZINC000257300153 497401181 /nfs/dbraw/zinc/40/11/81/497401181.db2.gz RTDJQJJFPYOHIP-GOSISDBHSA-N 2 1 358.461 3.331 40 0 FGABMP CC[NH+]1CCN(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000006953415 493989541 /nfs/dbraw/zinc/98/95/41/493989541.db2.gz SSYHVZUNDDYWRN-UHFFFAOYSA-N 2 1 363.505 3.023 40 0 FGABMP CC[NH+]1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000006953415 493989548 /nfs/dbraw/zinc/98/95/48/493989548.db2.gz SSYHVZUNDDYWRN-UHFFFAOYSA-N 2 1 363.505 3.023 40 0 FGABMP Cn1cc(C[N@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019290715 494440930 /nfs/dbraw/zinc/44/09/30/494440930.db2.gz FKFHFZVSUMTRTC-UHFFFAOYSA-N 2 1 354.498 3.058 40 0 FGABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225298106 497059451 /nfs/dbraw/zinc/05/94/51/497059451.db2.gz DRELPHFGBHEDGY-QGZVFWFLSA-N 2 1 354.498 3.092 40 0 FGABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225298106 497059456 /nfs/dbraw/zinc/05/94/56/497059456.db2.gz DRELPHFGBHEDGY-QGZVFWFLSA-N 2 1 354.498 3.092 40 0 FGABMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](CC2CC2)C3)c1 ZINC000096220308 209137395 /nfs/dbraw/zinc/13/73/95/209137395.db2.gz YVTSXQXOJHRKGD-VXKWHMMOSA-N 2 1 355.526 3.042 40 0 FGABMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](CC2CC2)C3)c1 ZINC000096220308 209137397 /nfs/dbraw/zinc/13/73/97/209137397.db2.gz YVTSXQXOJHRKGD-VXKWHMMOSA-N 2 1 355.526 3.042 40 0 FGABMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](CC2CC2)C3)c1 ZINC000096220308 209137402 /nfs/dbraw/zinc/13/74/02/209137402.db2.gz YVTSXQXOJHRKGD-VXKWHMMOSA-N 2 1 355.526 3.042 40 0 FGABMP COC[C@H]1CC2(C[N@H+]1Cc1ccncc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096208109 209134155 /nfs/dbraw/zinc/13/41/55/209134155.db2.gz AXJNDWRTFDYLAG-HXUWFJFHSA-N 2 1 355.482 3.178 40 0 FGABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 ZINC000019346712 494442085 /nfs/dbraw/zinc/44/20/85/494442085.db2.gz LDJBEHICXNCXGQ-CQSZACIVSA-N 2 1 373.863 3.172 40 0 FGABMP OCC[N@@H+](Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000019371513 494443730 /nfs/dbraw/zinc/44/37/30/494443730.db2.gz NCBOFECIOWPFCB-UHFFFAOYSA-N 2 1 364.493 3.024 40 0 FGABMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048048 209100083 /nfs/dbraw/zinc/10/00/83/209100083.db2.gz OKBOQWBGXBHNDZ-LJQANCHMSA-N 2 1 357.523 3.399 40 0 FGABMP C[N@H+]1CCc2nc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)ncc2C1 ZINC000019590723 494451617 /nfs/dbraw/zinc/45/16/17/494451617.db2.gz BEJBVRPPGCWZIF-UHFFFAOYSA-N 2 1 373.504 3.392 40 0 FGABMP Cc1ccc(C[NH+]2CCOC[C@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)s1 ZINC000248152467 496964492 /nfs/dbraw/zinc/96/44/92/496964492.db2.gz XZWIGDAYPLGCFS-HKUYNNGSSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)s1 ZINC000248152467 496964496 /nfs/dbraw/zinc/96/44/96/496964496.db2.gz XZWIGDAYPLGCFS-HKUYNNGSSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)s1 ZINC000248152467 496964500 /nfs/dbraw/zinc/96/45/00/496964500.db2.gz XZWIGDAYPLGCFS-HKUYNNGSSA-N 2 1 352.544 3.004 40 0 FGABMP COC[C@@H]1C[N@@H+](CC2CCOCC2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585104101 507571317 /nfs/dbraw/zinc/57/13/17/507571317.db2.gz VXWFKEMOZRJRJP-QFIPXVFZSA-N 2 1 372.553 3.274 40 0 FGABMP Cc1noc(C)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC000096158677 209127892 /nfs/dbraw/zinc/12/78/92/209127892.db2.gz CRTBVDPALYSELM-KRWDZBQOSA-N 2 1 359.470 3.140 40 0 FGABMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048044 209100655 /nfs/dbraw/zinc/10/06/55/209100655.db2.gz UQNUZWDFTFDJSL-GOSISDBHSA-N 2 1 357.523 3.399 40 0 FGABMP C[N@@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096048070 209101065 /nfs/dbraw/zinc/10/10/65/209101065.db2.gz FLDVUBKCBKMQGF-GOSISDBHSA-N 2 1 357.523 3.399 40 0 FGABMP C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047979 209100306 /nfs/dbraw/zinc/10/03/06/209100306.db2.gz DMWHUJZRQITVLD-IBGZPJMESA-N 2 1 357.523 3.399 40 0 FGABMP C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306144027 498743603 /nfs/dbraw/zinc/74/36/03/498743603.db2.gz YTTKODAOBRGSNF-UHFFFAOYSA-N 2 1 369.494 3.036 40 0 FGABMP C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306144027 498743609 /nfs/dbraw/zinc/74/36/09/498743609.db2.gz YTTKODAOBRGSNF-UHFFFAOYSA-N 2 1 369.494 3.036 40 0 FGABMP CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccc(OC)cc1)CCC2 ZINC000096055907 209105029 /nfs/dbraw/zinc/10/50/29/209105029.db2.gz FZGXUMGRNCMINM-UGKGYDQZSA-N 2 1 374.525 3.181 40 0 FGABMP CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1C[NH+](Cc1ccc(OC)cc1)CCC2 ZINC000096055907 209105030 /nfs/dbraw/zinc/10/50/30/209105030.db2.gz FZGXUMGRNCMINM-UGKGYDQZSA-N 2 1 374.525 3.181 40 0 FGABMP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096055907 209105034 /nfs/dbraw/zinc/10/50/34/209105034.db2.gz FZGXUMGRNCMINM-UGKGYDQZSA-N 2 1 374.525 3.181 40 0 FGABMP CCOC(=O)[C@@]12C[NH+](C(C)C)C[C@@H]1C[N@@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096055907 209105035 /nfs/dbraw/zinc/10/50/35/209105035.db2.gz FZGXUMGRNCMINM-UGKGYDQZSA-N 2 1 374.525 3.181 40 0 FGABMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccnc4)CO3)CC2)o1 ZINC000096047982 209100746 /nfs/dbraw/zinc/10/07/46/209100746.db2.gz XHHFMLOAVRPGOP-IBGZPJMESA-N 2 1 355.482 3.239 40 0 FGABMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccnc4)CO3)CC2)o1 ZINC000096047983 209100671 /nfs/dbraw/zinc/10/06/71/209100671.db2.gz XHHFMLOAVRPGOP-LJQANCHMSA-N 2 1 355.482 3.239 40 0 FGABMP COc1cc(C)ccc1C[N@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](C)C3)C1 ZINC000019134001 494437153 /nfs/dbraw/zinc/43/71/53/494437153.db2.gz OXDLOJJONJYZQI-GOSISDBHSA-N 2 1 366.509 3.161 40 0 FGABMP COc1cc(C)ccc1C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019134001 494437154 /nfs/dbraw/zinc/43/71/54/494437154.db2.gz OXDLOJJONJYZQI-GOSISDBHSA-N 2 1 366.509 3.161 40 0 FGABMP COc1cc(C)ccc1C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019134001 494437158 /nfs/dbraw/zinc/43/71/58/494437158.db2.gz OXDLOJJONJYZQI-GOSISDBHSA-N 2 1 366.509 3.161 40 0 FGABMP C[NH+](C)CCn1nc([C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)c2cccnc21 ZINC000019583283 494451325 /nfs/dbraw/zinc/45/13/25/494451325.db2.gz UFXHLBPWUVIAKZ-ROUUACIJSA-N 2 1 353.514 3.139 40 0 FGABMP COc1ccccc1C1(O)CC[NH+](CC(C)(C)C[NH+]2CCCCC2)CC1 ZINC000057822734 493803005 /nfs/dbraw/zinc/80/30/05/493803005.db2.gz MJURQFPKWSBXKZ-UHFFFAOYSA-N 2 1 360.542 3.491 40 0 FGABMP Cc1ccccc1C[N@@H+]1CC[C@@H](c2nn(CC[NH+](C)C)c3ncccc23)C1 ZINC000019237161 494439244 /nfs/dbraw/zinc/43/92/44/494439244.db2.gz ZXIBUISPYAABNN-LJQANCHMSA-N 2 1 363.509 3.291 40 0 FGABMP COCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000096251766 209144007 /nfs/dbraw/zinc/14/40/07/209144007.db2.gz KTQCJPQBBIUQQF-GMAHTHKFSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000096251766 209144011 /nfs/dbraw/zinc/14/40/11/209144011.db2.gz KTQCJPQBBIUQQF-GMAHTHKFSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000096251766 209144012 /nfs/dbraw/zinc/14/40/12/209144012.db2.gz KTQCJPQBBIUQQF-GMAHTHKFSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000096251766 209144016 /nfs/dbraw/zinc/14/40/16/209144016.db2.gz KTQCJPQBBIUQQF-GMAHTHKFSA-N 2 1 365.521 3.112 40 0 FGABMP C[N@@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048083 209100475 /nfs/dbraw/zinc/10/04/75/209100475.db2.gz USMMEIKCFYMOMW-NRFANRHFSA-N 2 1 369.484 3.476 40 0 FGABMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048054 209099838 /nfs/dbraw/zinc/09/98/38/209099838.db2.gz OUUVDMGXIQMNNV-OAQYLSRUSA-N 2 1 369.484 3.476 40 0 FGABMP C[NH+](C)CC1CCC2(CC1)C[N@@H+](C[C@H]1CCOC1)Cc1ccccc1O2 ZINC000012122646 494207388 /nfs/dbraw/zinc/20/73/88/494207388.db2.gz BDJVYOPIPCQDPB-GSVIPDFHSA-N 2 1 358.526 3.408 40 0 FGABMP CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019523556 494447424 /nfs/dbraw/zinc/44/74/24/494447424.db2.gz XYRNGZFQEOGKTI-OALUTQOASA-N 2 1 360.546 3.339 40 0 FGABMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cnc(N3CCC[C@@H](C)C3)nc2)CC1 ZINC000019715674 494457452 /nfs/dbraw/zinc/45/74/52/494457452.db2.gz XNZULNFLLWDXHL-QGZVFWFLSA-N 2 1 368.529 3.130 40 0 FGABMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1Cc1c(C)noc1C ZINC000019581002 211238752 /nfs/dbraw/zinc/23/87/52/211238752.db2.gz YODSUYIGVDKBRX-SFHVURJKSA-N 2 1 357.498 3.274 40 0 FGABMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1Cc1c(C)noc1C ZINC000019581002 211238755 /nfs/dbraw/zinc/23/87/55/211238755.db2.gz YODSUYIGVDKBRX-SFHVURJKSA-N 2 1 357.498 3.274 40 0 FGABMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1Cc1c(C)noc1C ZINC000019581002 211238760 /nfs/dbraw/zinc/23/87/60/211238760.db2.gz YODSUYIGVDKBRX-SFHVURJKSA-N 2 1 357.498 3.274 40 0 FGABMP C[NH+](C)CCn1nc([C@@H]2CC[N@@H+](C[C@@H]3CC=CCC3)C2)c2cccnc21 ZINC000257310620 497401707 /nfs/dbraw/zinc/40/17/07/497401707.db2.gz UFXHLBPWUVIAKZ-QZTJIDSGSA-N 2 1 353.514 3.139 40 0 FGABMP Clc1ccc2c(c1)[nH+]ccc2N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000020494339 132896820 /nfs/dbraw/zinc/89/68/20/132896820.db2.gz UHNSJAUKQWTSDS-HXUWFJFHSA-N 2 1 356.901 3.104 40 0 FGABMP c1ccc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C2CCC2)C3)nc1 ZINC000096218080 222081893 /nfs/dbraw/zinc/08/18/93/222081893.db2.gz BHMUKTIVUMIQCL-DENIHFKCSA-N 2 1 355.526 3.185 40 0 FGABMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C2CCC2)C3)nc1 ZINC000096218080 222081897 /nfs/dbraw/zinc/08/18/97/222081897.db2.gz BHMUKTIVUMIQCL-DENIHFKCSA-N 2 1 355.526 3.185 40 0 FGABMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C2CCC2)C3)nc1 ZINC000096218080 222081900 /nfs/dbraw/zinc/08/19/00/222081900.db2.gz BHMUKTIVUMIQCL-DENIHFKCSA-N 2 1 355.526 3.185 40 0 FGABMP COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](C1CCOCC1)CC2 ZINC000585104128 507570036 /nfs/dbraw/zinc/57/00/36/507570036.db2.gz WSCKQRJJBLEEKB-SFHVURJKSA-N 2 1 364.555 3.088 40 0 FGABMP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCC[C@H]2CCC[N@H+]2C)c1 ZINC000257244897 223036466 /nfs/dbraw/zinc/03/64/66/223036466.db2.gz INHADHGKPUCPFM-LJQANCHMSA-N 2 1 366.509 3.024 40 0 FGABMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC000096158886 222057913 /nfs/dbraw/zinc/05/79/13/222057913.db2.gz GFLFASZKUPTJJU-UHFFFAOYSA-N 2 1 351.494 3.257 40 0 FGABMP C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096215179 222080292 /nfs/dbraw/zinc/08/02/92/222080292.db2.gz YZFBTSATAUNEKF-FGZHOGPDSA-N 2 1 351.494 3.052 40 0 FGABMP C[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096215179 222080296 /nfs/dbraw/zinc/08/02/96/222080296.db2.gz YZFBTSATAUNEKF-FGZHOGPDSA-N 2 1 351.494 3.052 40 0 FGABMP C[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096215179 222080300 /nfs/dbraw/zinc/08/03/00/222080300.db2.gz YZFBTSATAUNEKF-FGZHOGPDSA-N 2 1 351.494 3.052 40 0 FGABMP CCn1ncc(C[N@H+]2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)c1C ZINC000072394187 494163536 /nfs/dbraw/zinc/16/35/36/494163536.db2.gz PEOJKIVCLMTDPQ-UHFFFAOYSA-N 2 1 368.525 3.379 40 0 FGABMP Cc1[nH+]ccn1C[C@H](C)C(=O)NC1(C[NH+]2CCC(C)CC2)CCCCC1 ZINC000019287756 211211950 /nfs/dbraw/zinc/21/19/50/211211950.db2.gz AEYAPZFHTMSYPR-SFHVURJKSA-N 2 1 360.546 3.379 40 0 FGABMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1nccs1)CC2 ZINC000096051792 222002675 /nfs/dbraw/zinc/00/26/75/222002675.db2.gz KQVKXZXULUHXTN-SFHVURJKSA-N 2 1 372.538 3.041 40 0 FGABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1nccs1)CC2 ZINC000096051792 222002683 /nfs/dbraw/zinc/00/26/83/222002683.db2.gz KQVKXZXULUHXTN-SFHVURJKSA-N 2 1 372.538 3.041 40 0 FGABMP CC1CC[NH+](CCC[NH2+]Cc2cc(-c3ccccc3)cn3nnnc23)CC1 ZINC000012224206 494216097 /nfs/dbraw/zinc/21/60/97/494216097.db2.gz QHLIYTVMZAEQPI-UHFFFAOYSA-N 2 1 364.497 3.003 40 0 FGABMP C[NH+](C)CC(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000019713479 494456213 /nfs/dbraw/zinc/45/62/13/494456213.db2.gz UYJBPQNGHHOJQT-URVUXULASA-N 2 1 357.542 3.025 40 0 FGABMP C[NH+](C)CC(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@H+]2C ZINC000019713479 494456215 /nfs/dbraw/zinc/45/62/15/494456215.db2.gz UYJBPQNGHHOJQT-URVUXULASA-N 2 1 357.542 3.025 40 0 FGABMP COc1cc(C)ccc1C[N@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](C)C3)C1 ZINC000019134005 211204442 /nfs/dbraw/zinc/20/44/42/211204442.db2.gz OXDLOJJONJYZQI-SFHVURJKSA-N 2 1 366.509 3.161 40 0 FGABMP COc1cc(C)ccc1C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C)C3)C1 ZINC000019134005 211204445 /nfs/dbraw/zinc/20/44/45/211204445.db2.gz OXDLOJJONJYZQI-SFHVURJKSA-N 2 1 366.509 3.161 40 0 FGABMP COc1cc(C)ccc1C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019134005 211204450 /nfs/dbraw/zinc/20/44/50/211204450.db2.gz OXDLOJJONJYZQI-SFHVURJKSA-N 2 1 366.509 3.161 40 0 FGABMP c1ccc(C[N@H+]2C[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C2)cc1 ZINC000096244936 222099049 /nfs/dbraw/zinc/09/90/49/222099049.db2.gz ZPFGVAAOABTWTR-UPVQGACJSA-N 2 1 361.533 3.467 40 0 FGABMP C[N@@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048075 494998376 /nfs/dbraw/zinc/99/83/76/494998376.db2.gz ZSEFMFNQHRMMOY-IBGZPJMESA-N 2 1 357.523 3.399 40 0 FGABMP C[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096220199 222084059 /nfs/dbraw/zinc/08/40/59/222084059.db2.gz USACSPZLWATONC-YLJYHZDGSA-N 2 1 357.523 3.114 40 0 FGABMP C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096220199 222084064 /nfs/dbraw/zinc/08/40/64/222084064.db2.gz USACSPZLWATONC-YLJYHZDGSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096220199 222084069 /nfs/dbraw/zinc/08/40/69/222084069.db2.gz USACSPZLWATONC-YLJYHZDGSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096220199 222084074 /nfs/dbraw/zinc/08/40/74/222084074.db2.gz USACSPZLWATONC-YLJYHZDGSA-N 2 1 357.523 3.114 40 0 FGABMP COC[C@H]1C[N@@H+](Cc2ccccn2)CC12CC[NH+](Cc1ccccc1)CC2 ZINC000585103801 507571525 /nfs/dbraw/zinc/57/15/25/507571525.db2.gz QTEIIGFWKSHLQB-OAQYLSRUSA-N 2 1 365.521 3.442 40 0 FGABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cnn(C)c1C)Cc1ccccc1O2 ZINC000019553784 211229836 /nfs/dbraw/zinc/22/98/36/211229836.db2.gz PBGOYTDDQPCKLT-UHFFFAOYSA-N 2 1 354.498 3.024 40 0 FGABMP Cn1ccnc1C[NH+]1CCC2(C[C@@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096241551 222096970 /nfs/dbraw/zinc/09/69/70/222096970.db2.gz NKRYATDFDKCLJD-HXUWFJFHSA-N 2 1 350.510 3.495 40 0 FGABMP COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH+](Cc1ccoc1)CC2 ZINC000096208117 222078788 /nfs/dbraw/zinc/07/87/88/222078788.db2.gz AKALAZBMSICJPZ-HXUWFJFHSA-N 2 1 355.482 3.178 40 0 FGABMP C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccsc3)C2)C1 ZINC000096219859 222083424 /nfs/dbraw/zinc/08/34/24/222083424.db2.gz ZAWVYFHOYNMJJE-WOJBJXKFSA-N 2 1 357.523 3.114 40 0 FGABMP C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccsc3)C2)C1 ZINC000096219859 222083428 /nfs/dbraw/zinc/08/34/28/222083428.db2.gz ZAWVYFHOYNMJJE-WOJBJXKFSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096219859 222083432 /nfs/dbraw/zinc/08/34/32/222083432.db2.gz ZAWVYFHOYNMJJE-WOJBJXKFSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096219859 222083434 /nfs/dbraw/zinc/08/34/34/222083434.db2.gz ZAWVYFHOYNMJJE-WOJBJXKFSA-N 2 1 357.523 3.114 40 0 FGABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCOc2ccccc2)c1 ZINC000001716434 534961703 /nfs/dbraw/zinc/96/17/03/534961703.db2.gz IHIHTZZDMBOPNY-UHFFFAOYSA-N 2 1 365.481 3.274 40 0 FGABMP COc1cccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+]4CCCC4)C3)C2)c1 ZINC000096215676 222080113 /nfs/dbraw/zinc/08/01/13/222080113.db2.gz BKVRVNRFLQHYMD-QFIPXVFZSA-N 2 1 357.542 3.079 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@@]3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)C2)s1 ZINC000107226804 222392880 /nfs/dbraw/zinc/39/28/80/222392880.db2.gz VPRXMYIKZUOSJM-UYAOXDASSA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@@]3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)C2)s1 ZINC000107226804 222392882 /nfs/dbraw/zinc/39/28/82/222392882.db2.gz VPRXMYIKZUOSJM-UYAOXDASSA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[N@H+]2CC[C@@]3(C[C@@H]([NH+](C)Cc4ccccn4)CO3)C2)s1 ZINC000107226804 222392886 /nfs/dbraw/zinc/39/28/86/222392886.db2.gz VPRXMYIKZUOSJM-UYAOXDASSA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H]([NH+](C)Cc4ccccn4)CO3)C2)s1 ZINC000107226804 222392888 /nfs/dbraw/zinc/39/28/88/222392888.db2.gz VPRXMYIKZUOSJM-UYAOXDASSA-N 2 1 357.523 3.317 40 0 FGABMP Clc1ccc2c(c1)[nH+]ccc2N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000020494342 494474592 /nfs/dbraw/zinc/47/45/92/494474592.db2.gz UHNSJAUKQWTSDS-FQEVSTJZSA-N 2 1 356.901 3.104 40 0 FGABMP Cc1nc2ccccc2n1[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248082614 496953424 /nfs/dbraw/zinc/95/34/24/496953424.db2.gz AQLZRZVJOJXQQV-IERDGZPVSA-N 2 1 362.477 3.421 40 0 FGABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 ZINC000019346714 220251973 /nfs/dbraw/zinc/25/19/73/220251973.db2.gz LDJBEHICXNCXGQ-AWEZNQCLSA-N 2 1 373.863 3.172 40 0 FGABMP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215382 222080083 /nfs/dbraw/zinc/08/00/83/222080083.db2.gz NQYICAJOUNIOJP-QFIPXVFZSA-N 2 1 372.509 3.130 40 0 FGABMP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215382 222080085 /nfs/dbraw/zinc/08/00/85/222080085.db2.gz NQYICAJOUNIOJP-QFIPXVFZSA-N 2 1 372.509 3.130 40 0 FGABMP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215382 222080088 /nfs/dbraw/zinc/08/00/88/222080088.db2.gz NQYICAJOUNIOJP-QFIPXVFZSA-N 2 1 372.509 3.130 40 0 FGABMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc2c1OCO2 ZINC000096215382 222080090 /nfs/dbraw/zinc/08/00/90/222080090.db2.gz NQYICAJOUNIOJP-QFIPXVFZSA-N 2 1 372.509 3.130 40 0 FGABMP C[NH+](C)Cc1ccc(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000012148201 494209474 /nfs/dbraw/zinc/20/94/74/494209474.db2.gz BSSWAECRIMRGCQ-OAQYLSRUSA-N 2 1 365.521 3.184 40 0 FGABMP CNc1cc(C[N@H+](C)Cc2ccnc3ccccc23)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759880 494459854 /nfs/dbraw/zinc/45/98/54/494459854.db2.gz DVWIJVCZOFSBEU-IBGZPJMESA-N 2 1 362.481 3.123 40 0 FGABMP CNc1cc(C[N@@H+](C)Cc2ccnc3ccccc23)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759880 494459859 /nfs/dbraw/zinc/45/98/59/494459859.db2.gz DVWIJVCZOFSBEU-IBGZPJMESA-N 2 1 362.481 3.123 40 0 FGABMP Cc1ccc(C[NH+]2CCOC[C@@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)s1 ZINC000107738665 494594916 /nfs/dbraw/zinc/59/49/16/494594916.db2.gz XZWIGDAYPLGCFS-PKOBYXMFSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)s1 ZINC000107738665 494594920 /nfs/dbraw/zinc/59/49/20/494594920.db2.gz XZWIGDAYPLGCFS-PKOBYXMFSA-N 2 1 352.544 3.004 40 0 FGABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)s1 ZINC000107738665 494594924 /nfs/dbraw/zinc/59/49/24/494594924.db2.gz XZWIGDAYPLGCFS-PKOBYXMFSA-N 2 1 352.544 3.004 40 0 FGABMP O=C(C[NH+]1CCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026439197 494824888 /nfs/dbraw/zinc/82/48/88/494824888.db2.gz GAOKHFOVOWJXSU-UHFFFAOYSA-N 2 1 363.505 3.016 40 0 FGABMP Cc1cccc(C[N@@H+]2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)c1 ZINC000019234943 220241213 /nfs/dbraw/zinc/24/12/13/220241213.db2.gz GBFMMZJHZIAGOT-IBGZPJMESA-N 2 1 363.509 3.291 40 0 FGABMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1Cc1c(C)noc1C ZINC000019580999 220276377 /nfs/dbraw/zinc/27/63/77/220276377.db2.gz YODSUYIGVDKBRX-GOSISDBHSA-N 2 1 357.498 3.274 40 0 FGABMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1Cc1c(C)noc1C ZINC000019580999 220276368 /nfs/dbraw/zinc/27/63/68/220276368.db2.gz YODSUYIGVDKBRX-GOSISDBHSA-N 2 1 357.498 3.274 40 0 FGABMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1Cc1c(C)noc1C ZINC000019580999 220276373 /nfs/dbraw/zinc/27/63/73/220276373.db2.gz YODSUYIGVDKBRX-GOSISDBHSA-N 2 1 357.498 3.274 40 0 FGABMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1nccs1)CC2 ZINC000096051793 222002877 /nfs/dbraw/zinc/00/28/77/222002877.db2.gz KQVKXZXULUHXTN-GOSISDBHSA-N 2 1 372.538 3.041 40 0 FGABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1nccs1)CC2 ZINC000096051793 222002880 /nfs/dbraw/zinc/00/28/80/222002880.db2.gz KQVKXZXULUHXTN-GOSISDBHSA-N 2 1 372.538 3.041 40 0 FGABMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096048049 494998336 /nfs/dbraw/zinc/99/83/36/494998336.db2.gz OKBOQWBGXBHNDZ-IBGZPJMESA-N 2 1 357.523 3.399 40 0 FGABMP CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3ccccc3Cl)O2)C1 ZINC000306124518 529045862 /nfs/dbraw/zinc/04/58/62/529045862.db2.gz BSKJYOTXXKISIE-IEBWSBKVSA-N 2 1 352.906 3.088 40 0 FGABMP COc1cc(C)ccc1C[NH+]1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019133922 220237693 /nfs/dbraw/zinc/23/76/93/220237693.db2.gz AHRVFOWAIUFCEV-UHFFFAOYSA-N 2 1 366.509 3.161 40 0 FGABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccoc1)CC2 ZINC000096240366 222095953 /nfs/dbraw/zinc/09/59/53/222095953.db2.gz VGHFRVMDUFRUCU-HXUWFJFHSA-N 2 1 355.482 3.178 40 0 FGABMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](CN3C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000096244935 222099247 /nfs/dbraw/zinc/09/92/47/222099247.db2.gz ZPFGVAAOABTWTR-VWNXMTODSA-N 2 1 361.533 3.467 40 0 FGABMP OCC[N@@H+](Cc1c2cccnc2[nH]c1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000019371511 220252644 /nfs/dbraw/zinc/25/26/44/220252644.db2.gz AYIJLZVSEQULGJ-SFHVURJKSA-N 2 1 364.493 3.024 40 0 FGABMP C[N@H+]1CCc2nc([C@H]3CCC[NH+](Cc4cccc5ncccc45)C3)ncc2C1 ZINC000019590479 220277843 /nfs/dbraw/zinc/27/78/43/220277843.db2.gz VMPCXXROLLAIIQ-SFHVURJKSA-N 2 1 373.504 3.392 40 0 FGABMP C[NH+]1CCc2nc([C@H]3CCC[N@H+](Cc4cccc5ncccc45)C3)ncc2C1 ZINC000019590479 220277846 /nfs/dbraw/zinc/27/78/46/220277846.db2.gz VMPCXXROLLAIIQ-SFHVURJKSA-N 2 1 373.504 3.392 40 0 FGABMP C[NH+]1CCc2nc([C@H]3CCC[N@@H+](Cc4cccc5ncccc45)C3)ncc2C1 ZINC000019590479 220277848 /nfs/dbraw/zinc/27/78/48/220277848.db2.gz VMPCXXROLLAIIQ-SFHVURJKSA-N 2 1 373.504 3.392 40 0 FGABMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096048055 222000263 /nfs/dbraw/zinc/00/02/63/222000263.db2.gz OUUVDMGXIQMNNV-NRFANRHFSA-N 2 1 369.484 3.476 40 0 FGABMP COCC[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccoc1)c1ccccc1O2 ZINC000096242755 222096981 /nfs/dbraw/zinc/09/69/81/222096981.db2.gz ZZVLDYPWFFEXDI-IBGZPJMESA-N 2 1 356.466 3.374 40 0 FGABMP C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000096215986 222081268 /nfs/dbraw/zinc/08/12/68/222081268.db2.gz YZFBTSATAUNEKF-FCHUYYIVSA-N 2 1 351.494 3.052 40 0 FGABMP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096215986 222081271 /nfs/dbraw/zinc/08/12/71/222081271.db2.gz YZFBTSATAUNEKF-FCHUYYIVSA-N 2 1 351.494 3.052 40 0 FGABMP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000096215986 222081274 /nfs/dbraw/zinc/08/12/74/222081274.db2.gz YZFBTSATAUNEKF-FCHUYYIVSA-N 2 1 351.494 3.052 40 0 FGABMP C[N@@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096216622 222081369 /nfs/dbraw/zinc/08/13/69/222081369.db2.gz XFBUEYJTABYDNP-AZUAARDMSA-N 2 1 357.523 3.114 40 0 FGABMP C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096216622 222081371 /nfs/dbraw/zinc/08/13/71/222081371.db2.gz XFBUEYJTABYDNP-AZUAARDMSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096216622 222081373 /nfs/dbraw/zinc/08/13/73/222081373.db2.gz XFBUEYJTABYDNP-AZUAARDMSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096216622 222081375 /nfs/dbraw/zinc/08/13/75/222081375.db2.gz XFBUEYJTABYDNP-AZUAARDMSA-N 2 1 357.523 3.114 40 0 FGABMP c1ccc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](CC2CC2)C3)nc1 ZINC000096219364 222083820 /nfs/dbraw/zinc/08/38/20/222083820.db2.gz QTIHXFDQNHHRNT-UNMCSNQZSA-N 2 1 355.526 3.042 40 0 FGABMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](CC2CC2)C3)nc1 ZINC000096219364 222083824 /nfs/dbraw/zinc/08/38/24/222083824.db2.gz QTIHXFDQNHHRNT-UNMCSNQZSA-N 2 1 355.526 3.042 40 0 FGABMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](CC2CC2)C3)nc1 ZINC000096219364 222083827 /nfs/dbraw/zinc/08/38/27/222083827.db2.gz QTIHXFDQNHHRNT-UNMCSNQZSA-N 2 1 355.526 3.042 40 0 FGABMP CNc1cc(C[N@H+](C)Cc2cccc3cccnc32)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759849 494459753 /nfs/dbraw/zinc/45/97/53/494459753.db2.gz ROEXSMXWLRIDLC-SFHVURJKSA-N 2 1 362.481 3.123 40 0 FGABMP CNc1cc(C[N@@H+](C)Cc2cccc3cccnc32)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759849 494459756 /nfs/dbraw/zinc/45/97/56/494459756.db2.gz ROEXSMXWLRIDLC-SFHVURJKSA-N 2 1 362.481 3.123 40 0 FGABMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)o1 ZINC000096048051 494998937 /nfs/dbraw/zinc/99/89/37/494998937.db2.gz BSNWHPPWSAAKDD-LJQANCHMSA-N 2 1 355.482 3.239 40 0 FGABMP COc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+](C)Cc4ccco4)[C@H]3C2)cc1 ZINC000096056298 222004205 /nfs/dbraw/zinc/00/42/05/222004205.db2.gz DTBXODZYNNSTON-YUXAGFNASA-N 2 1 370.493 3.257 40 0 FGABMP COc1ccc(C[NH+]2CC[C@H]3CO[C@H](C[N@H+](C)Cc4ccco4)[C@H]3C2)cc1 ZINC000096056298 222004209 /nfs/dbraw/zinc/00/42/09/222004209.db2.gz DTBXODZYNNSTON-YUXAGFNASA-N 2 1 370.493 3.257 40 0 FGABMP COc1ccc(C[NH+]2CC[C@H]3CO[C@H](C[N@@H+](C)Cc4ccco4)[C@H]3C2)cc1 ZINC000096056298 222004213 /nfs/dbraw/zinc/00/42/13/222004213.db2.gz DTBXODZYNNSTON-YUXAGFNASA-N 2 1 370.493 3.257 40 0 FGABMP COCC[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccoc1)c1ccccc1O2 ZINC000096242756 222097248 /nfs/dbraw/zinc/09/72/48/222097248.db2.gz ZZVLDYPWFFEXDI-LJQANCHMSA-N 2 1 356.466 3.374 40 0 FGABMP COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CC[NH+](Cc1ccco1)CC2 ZINC000096208103 222078047 /nfs/dbraw/zinc/07/80/47/222078047.db2.gz DWIAHKPKJPYAOT-IBGZPJMESA-N 2 1 355.482 3.178 40 0 FGABMP CC[NH+](CC)c1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228937381 571278253 /nfs/dbraw/zinc/27/82/53/571278253.db2.gz XZDFCVFYWNHKGR-UHFFFAOYSA-N 2 1 365.485 3.341 40 0 FGABMP C[N@H+]1CCc2nc([C@@H]3CCC[NH+](Cc4cccc5ncccc45)C3)ncc2C1 ZINC000019590478 220278969 /nfs/dbraw/zinc/27/89/69/220278969.db2.gz VMPCXXROLLAIIQ-GOSISDBHSA-N 2 1 373.504 3.392 40 0 FGABMP C[NH+]1CCc2nc([C@@H]3CCC[N@H+](Cc4cccc5ncccc45)C3)ncc2C1 ZINC000019590478 220278975 /nfs/dbraw/zinc/27/89/75/220278975.db2.gz VMPCXXROLLAIIQ-GOSISDBHSA-N 2 1 373.504 3.392 40 0 FGABMP C[NH+]1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccc5ncccc45)C3)ncc2C1 ZINC000019590478 220278979 /nfs/dbraw/zinc/27/89/79/220278979.db2.gz VMPCXXROLLAIIQ-GOSISDBHSA-N 2 1 373.504 3.392 40 0 FGABMP Cn1ccnc1C[NH+]1CCC2(C[C@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096241550 222097375 /nfs/dbraw/zinc/09/73/75/222097375.db2.gz NKRYATDFDKCLJD-FQEVSTJZSA-N 2 1 350.510 3.495 40 0 FGABMP C[N@@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096220453 222083146 /nfs/dbraw/zinc/08/31/46/222083146.db2.gz USACSPZLWATONC-FXAWDEMLSA-N 2 1 357.523 3.114 40 0 FGABMP C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096220453 222083149 /nfs/dbraw/zinc/08/31/49/222083149.db2.gz USACSPZLWATONC-FXAWDEMLSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096220453 222083150 /nfs/dbraw/zinc/08/31/50/222083150.db2.gz USACSPZLWATONC-FXAWDEMLSA-N 2 1 357.523 3.114 40 0 FGABMP C[NH+]1C[C@@H](COCc2ccccn2)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096220453 222083153 /nfs/dbraw/zinc/08/31/53/222083153.db2.gz USACSPZLWATONC-FXAWDEMLSA-N 2 1 357.523 3.114 40 0 FGABMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](CC2CC2)C3)c1 ZINC000096218875 222083715 /nfs/dbraw/zinc/08/37/15/222083715.db2.gz YVTSXQXOJHRKGD-YADHBBJMSA-N 2 1 355.526 3.042 40 0 FGABMP c1cncc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](CC2CC2)C3)c1 ZINC000096218875 222083722 /nfs/dbraw/zinc/08/37/22/222083722.db2.gz YVTSXQXOJHRKGD-YADHBBJMSA-N 2 1 355.526 3.042 40 0 FGABMP c1cncc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](CC2CC2)C3)c1 ZINC000096218875 222083727 /nfs/dbraw/zinc/08/37/27/222083727.db2.gz YVTSXQXOJHRKGD-YADHBBJMSA-N 2 1 355.526 3.042 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@]3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)C2)s1 ZINC000107226808 222392289 /nfs/dbraw/zinc/39/22/89/222392289.db2.gz VPRXMYIKZUOSJM-QUCCMNQESA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[NH+]2CC[C@]3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)C2)s1 ZINC000107226808 222392292 /nfs/dbraw/zinc/39/22/92/222392292.db2.gz VPRXMYIKZUOSJM-QUCCMNQESA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H]([NH+](C)Cc4ccccn4)CO3)C2)s1 ZINC000107226808 222392294 /nfs/dbraw/zinc/39/22/94/222392294.db2.gz VPRXMYIKZUOSJM-QUCCMNQESA-N 2 1 357.523 3.317 40 0 FGABMP Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H]([NH+](C)Cc4ccccn4)CO3)C2)s1 ZINC000107226808 222392295 /nfs/dbraw/zinc/39/22/95/222392295.db2.gz VPRXMYIKZUOSJM-QUCCMNQESA-N 2 1 357.523 3.317 40 0 FGABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](CC4CCOCC4)C3)CC2)c1 ZINC000096046653 494998783 /nfs/dbraw/zinc/99/87/83/494998783.db2.gz SOICIGSJJNUEBW-UHFFFAOYSA-N 2 1 358.526 3.410 40 0 FGABMP COC[C@H]1C[N@@H+](Cc2cccnc2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000248133167 496960154 /nfs/dbraw/zinc/96/01/54/496960154.db2.gz ZMBXCULGPJBGAW-HXUWFJFHSA-N 2 1 369.509 3.344 40 0 FGABMP COc1cc2c(cc1C[NH+]1CCC(O)(Cn3cc[nH+]c3C)CC1)CCCC2 ZINC000019287964 220245851 /nfs/dbraw/zinc/24/58/51/220245851.db2.gz IUGRFACMMXODHF-UHFFFAOYSA-N 2 1 369.509 3.106 40 0 FGABMP COCC[N@@H+]1C[C@H]2C[NH+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000247870872 496923785 /nfs/dbraw/zinc/92/37/85/496923785.db2.gz KTQCJPQBBIUQQF-GGAORHGYSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[N@H+]1C[C@H]2C[NH+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000247870872 496923786 /nfs/dbraw/zinc/92/37/86/496923786.db2.gz KTQCJPQBBIUQQF-GGAORHGYSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[NH+]1C[C@H]2C[N@H+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000247870872 496923787 /nfs/dbraw/zinc/92/37/87/496923787.db2.gz KTQCJPQBBIUQQF-GGAORHGYSA-N 2 1 365.521 3.112 40 0 FGABMP COCC[NH+]1C[C@H]2C[N@@H+](Cc3cccc(C)n3)CC[C@@]2(c2ccccc2)C1 ZINC000247870872 496923788 /nfs/dbraw/zinc/92/37/88/496923788.db2.gz KTQCJPQBBIUQQF-GGAORHGYSA-N 2 1 365.521 3.112 40 0 FGABMP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[C@@H](C[N@H+](C)C(C)C)O3)C2)s1 ZINC000248060276 496948541 /nfs/dbraw/zinc/94/85/41/496948541.db2.gz PXUDWTQXAAJOPA-PKOBYXMFSA-N 2 1 352.544 3.147 40 0 FGABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)s1 ZINC000248060276 496948542 /nfs/dbraw/zinc/94/85/42/496948542.db2.gz PXUDWTQXAAJOPA-PKOBYXMFSA-N 2 1 352.544 3.147 40 0 FGABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)s1 ZINC000248060276 496948547 /nfs/dbraw/zinc/94/85/47/496948547.db2.gz PXUDWTQXAAJOPA-PKOBYXMFSA-N 2 1 352.544 3.147 40 0 FGABMP