smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@H+](Cc1ccc(C)cc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011843682 818125694 /nfs/dbraw/zinc/12/56/94/818125694.db2.gz UBSCJUJZJSQLST-UHFFFAOYSA-N 2 1 396.575 4.364 50 0 GIAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962590 818279270 /nfs/dbraw/zinc/27/92/70/818279270.db2.gz CMUYKLICSRDAJP-VWLOTQADSA-N 2 1 394.559 4.200 50 0 GIAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962590 818279278 /nfs/dbraw/zinc/27/92/78/818279278.db2.gz CMUYKLICSRDAJP-VWLOTQADSA-N 2 1 394.559 4.200 50 0 GIAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962590 818279287 /nfs/dbraw/zinc/27/92/87/818279287.db2.gz CMUYKLICSRDAJP-VWLOTQADSA-N 2 1 394.559 4.200 50 0 GIAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962590 818279292 /nfs/dbraw/zinc/27/92/92/818279292.db2.gz CMUYKLICSRDAJP-VWLOTQADSA-N 2 1 394.559 4.200 50 0 GIAAMP COc1ccc(-c2nc(C[NH+]3CCCCC3)cc(C[NH+]3CCCCC3)c2O)cc1 ZINC000005003401 204101811 /nfs/dbraw/zinc/10/18/11/204101811.db2.gz WTHYXMFKXKYSMD-UHFFFAOYSA-N 2 1 395.547 4.435 50 0 GIAAMP CCC[NH+]1CCC([C@H](Cc2ccccc2)[N@@H+](CCOC)Cc2cccnc2)CC1 ZINC000012152881 204376858 /nfs/dbraw/zinc/37/68/58/204376858.db2.gz GDZOTZSCUGVPOS-VWLOTQADSA-N 2 1 395.591 4.263 50 0 GIAAMP Cc1ccccc1C[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012303158 204393326 /nfs/dbraw/zinc/39/33/26/204393326.db2.gz UAXARCAQPDXBCZ-DEOSSOPVSA-N 2 1 396.575 4.289 50 0 GIAAMP Cc1cccc2c(C[N@H+]3CCOC[C@@H](C[NH+](C)C)C3)c(-c3ccccc3)[nH]c21 ZINC000072148769 205310596 /nfs/dbraw/zinc/31/05/96/205310596.db2.gz SMFDXQWTNREWLM-IBGZPJMESA-N 2 1 377.532 4.153 50 0 GIAAMP Cc1cccc2c(C[N@@H+]3CCOC[C@@H](C[NH+](C)C)C3)c(-c3ccccc3)[nH]c21 ZINC000072148769 205310599 /nfs/dbraw/zinc/31/05/99/205310599.db2.gz SMFDXQWTNREWLM-IBGZPJMESA-N 2 1 377.532 4.153 50 0 GIAAMP C[C@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)C(C)(C)n1cncn1 ZINC000225409360 206045837 /nfs/dbraw/zinc/04/58/37/206045837.db2.gz QARTVKVHKBMBLR-NRFANRHFSA-N 2 1 391.563 4.084 50 0 GIAAMP COCC[N@H+](Cc1ccc(C)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055134351 206209811 /nfs/dbraw/zinc/20/98/11/206209811.db2.gz BWWAZZFGIUUWGC-HSZRJFAPSA-N 2 1 392.587 4.323 50 0 GIAAMP COCC[NH+](Cc1ccc(C)cc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055134351 206209815 /nfs/dbraw/zinc/20/98/15/206209815.db2.gz BWWAZZFGIUUWGC-HSZRJFAPSA-N 2 1 392.587 4.323 50 0 GIAAMP COCC[NH+](Cc1ccc(C)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055134351 206209818 /nfs/dbraw/zinc/20/98/18/206209818.db2.gz BWWAZZFGIUUWGC-HSZRJFAPSA-N 2 1 392.587 4.323 50 0 GIAAMP CCc1nccc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](CC)C3)n1 ZINC000096136330 570212050 /nfs/dbraw/zinc/21/20/50/570212050.db2.gz RWORHLQPMIVPCJ-NRFANRHFSA-N 2 1 378.564 4.131 50 0 GIAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2OC)CC1 ZINC000012612536 570690674 /nfs/dbraw/zinc/69/06/74/570690674.db2.gz HYTJVKBUSIMSTE-UHFFFAOYSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OCc1csc(C)n1 ZINC000014112006 570823616 /nfs/dbraw/zinc/82/36/16/570823616.db2.gz OLGYCPQKABKRTD-UHFFFAOYSA-N 2 1 389.565 4.002 50 0 GIAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2[nH]cnc2C)CC(C)C)CC1 ZINC000011663560 818106790 /nfs/dbraw/zinc/10/67/90/818106790.db2.gz TWCLWEZGYZSHGP-UHFFFAOYSA-N 2 1 384.568 4.097 50 0 GIAAMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076861 818140598 /nfs/dbraw/zinc/14/05/98/818140598.db2.gz IVQJOOUFQPXZJG-FQEVSTJZSA-N 2 1 391.481 4.487 50 0 GIAAMP C[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076861 818140606 /nfs/dbraw/zinc/14/06/06/818140606.db2.gz IVQJOOUFQPXZJG-FQEVSTJZSA-N 2 1 391.481 4.487 50 0 GIAAMP C[NH+](Cc1cccnc1)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076861 818140613 /nfs/dbraw/zinc/14/06/13/818140613.db2.gz IVQJOOUFQPXZJG-FQEVSTJZSA-N 2 1 391.481 4.487 50 0 GIAAMP C[NH+](Cc1cccnc1)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076861 818140621 /nfs/dbraw/zinc/14/06/21/818140621.db2.gz IVQJOOUFQPXZJG-FQEVSTJZSA-N 2 1 391.481 4.487 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C3CCN(Cc4ccccc4)CC3)CC2)o1 ZINC000012749743 818180576 /nfs/dbraw/zinc/18/05/76/818180576.db2.gz LWPPXRWSIWDYOB-UHFFFAOYSA-N 2 1 395.591 4.396 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)CC2)o1 ZINC000012749743 818180581 /nfs/dbraw/zinc/18/05/81/818180581.db2.gz LWPPXRWSIWDYOB-UHFFFAOYSA-N 3 1 395.591 4.396 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)CC2)o1 ZINC000012749743 818180586 /nfs/dbraw/zinc/18/05/86/818180586.db2.gz LWPPXRWSIWDYOB-UHFFFAOYSA-N 3 1 395.591 4.396 50 0 GIAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962586 818279143 /nfs/dbraw/zinc/27/91/43/818279143.db2.gz CMUYKLICSRDAJP-RUZDIDTESA-N 2 1 394.559 4.200 50 0 GIAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962586 818279150 /nfs/dbraw/zinc/27/91/50/818279150.db2.gz CMUYKLICSRDAJP-RUZDIDTESA-N 2 1 394.559 4.200 50 0 GIAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962586 818279157 /nfs/dbraw/zinc/27/91/57/818279157.db2.gz CMUYKLICSRDAJP-RUZDIDTESA-N 2 1 394.559 4.200 50 0 GIAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000014962586 818279164 /nfs/dbraw/zinc/27/91/64/818279164.db2.gz CMUYKLICSRDAJP-RUZDIDTESA-N 2 1 394.559 4.200 50 0 GIAAMP c1ccc(C[NH+]2CCC(N3CCC([N@H+]4CCc5ccccc5C4)CC3)CC2)cc1 ZINC000004271440 204036022 /nfs/dbraw/zinc/03/60/22/204036022.db2.gz NHFCEWHZPAEOOB-UHFFFAOYSA-N 2 1 389.587 4.174 50 0 GIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000011878270 204358708 /nfs/dbraw/zinc/35/87/08/204358708.db2.gz IWVCURSWBVAHAV-NRFANRHFSA-N 2 1 397.563 4.026 50 0 GIAAMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000058418393 205175473 /nfs/dbraw/zinc/17/54/73/205175473.db2.gz WAHAFWPYTIDKTJ-UHFFFAOYSA-N 2 1 384.351 4.272 50 0 GIAAMP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000013511869 570849710 /nfs/dbraw/zinc/84/97/10/570849710.db2.gz OBUCWJVKGWIGLC-DFIYOIEZSA-N 2 1 396.575 4.482 50 0 GIAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)C[C@H]2CCCO2)CC1 ZINC000011937915 818129876 /nfs/dbraw/zinc/12/98/76/818129876.db2.gz RGGAXXZMVUXABJ-HSZRJFAPSA-N 2 1 397.538 4.114 50 0 GIAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH2+]Cc2ccsc2)c1)C1CCCCC1 ZINC000012386503 818156471 /nfs/dbraw/zinc/15/64/71/818156471.db2.gz YKNXGFCZBADCIE-NRFANRHFSA-N 2 1 388.577 4.042 50 0 GIAAMP O=C(C1CCCC1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014949827 818279223 /nfs/dbraw/zinc/27/92/23/818279223.db2.gz ZZUYRNWRMXJYSM-OAQYLSRUSA-N 2 1 389.628 4.146 50 0 GIAAMP CCC[NH+]1CCC([C@H](Cc2ccccc2)[N@@H+](CCOC)Cc2ccccn2)CC1 ZINC000014979939 818280183 /nfs/dbraw/zinc/28/01/83/818280183.db2.gz BZCCUZYWQOLLSS-VWLOTQADSA-N 2 1 395.591 4.263 50 0 GIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2cc(C)c(C)cc2C)CC1 ZINC000011820469 204354788 /nfs/dbraw/zinc/35/47/88/204354788.db2.gz AUYSAFKPZXCKFD-UHFFFAOYSA-N 2 1 395.591 4.367 50 0 GIAAMP C/C=C(\C)C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011934832 204362588 /nfs/dbraw/zinc/36/25/88/204362588.db2.gz JIMSUIGMIDNZQY-FMIXMDLBSA-N 2 1 382.592 4.313 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)C[C@H]2CCOC2)CC1 ZINC000012449022 204411950 /nfs/dbraw/zinc/41/19/50/204411950.db2.gz BGENJWYPYQMFEZ-XMMPIXPASA-N 2 1 393.575 4.141 50 0 GIAAMP COc1ccc(CC[N@H+](Cc2cc(CC(C)C)n[nH]2)CC2CC[NH+](C)CC2)cc1 ZINC000012204358 204382698 /nfs/dbraw/zinc/38/26/98/204382698.db2.gz AADCHQMKVYLICV-UHFFFAOYSA-N 2 1 398.595 4.003 50 0 GIAAMP COc1ccc(CC[N@@H+](Cc2cc(CC(C)C)[nH]n2)CC2CC[NH+](C)CC2)cc1 ZINC000012204358 204382702 /nfs/dbraw/zinc/38/27/02/204382702.db2.gz AADCHQMKVYLICV-UHFFFAOYSA-N 2 1 398.595 4.003 50 0 GIAAMP COc1ccc(CC[N@H+](Cc2cc(CC(C)C)[nH]n2)CC2CC[NH+](C)CC2)cc1 ZINC000012204358 204382705 /nfs/dbraw/zinc/38/27/05/204382705.db2.gz AADCHQMKVYLICV-UHFFFAOYSA-N 2 1 398.595 4.003 50 0 GIAAMP CC[N@@H+](Cc1cccc(C)n1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055254587 205145732 /nfs/dbraw/zinc/14/57/32/205145732.db2.gz FTZBIQOQBQYNHM-JOCHJYFZSA-N 2 1 381.564 4.175 50 0 GIAAMP CC[N@H+](Cc1cccc(C)n1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055254587 205145736 /nfs/dbraw/zinc/14/57/36/205145736.db2.gz FTZBIQOQBQYNHM-JOCHJYFZSA-N 2 1 381.564 4.175 50 0 GIAAMP CC[NH+](Cc1cccc(C)n1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055254587 205145741 /nfs/dbraw/zinc/14/57/41/205145741.db2.gz FTZBIQOQBQYNHM-JOCHJYFZSA-N 2 1 381.564 4.175 50 0 GIAAMP CC[NH+](Cc1cccc(C)n1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055254587 205145744 /nfs/dbraw/zinc/14/57/44/205145744.db2.gz FTZBIQOQBQYNHM-JOCHJYFZSA-N 2 1 381.564 4.175 50 0 GIAAMP CC1(C)CC([N@@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)CC(C)(C)[NH2+]1 ZINC000067867378 205264218 /nfs/dbraw/zinc/26/42/18/205264218.db2.gz NDBXXDLHVZTWFI-UHFFFAOYSA-N 2 1 375.463 4.287 50 0 GIAAMP CC1(C)CC([N@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)CC(C)(C)[NH2+]1 ZINC000067867378 205264221 /nfs/dbraw/zinc/26/42/21/205264221.db2.gz NDBXXDLHVZTWFI-UHFFFAOYSA-N 2 1 375.463 4.287 50 0 GIAAMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cc1O ZINC000012093423 221150451 /nfs/dbraw/zinc/15/04/51/221150451.db2.gz BCOQJVFTNLTTLN-OAQYLSRUSA-N 2 1 382.548 4.096 50 0 GIAAMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cc1O ZINC000012093423 221150454 /nfs/dbraw/zinc/15/04/54/221150454.db2.gz BCOQJVFTNLTTLN-OAQYLSRUSA-N 2 1 382.548 4.096 50 0 GIAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1O ZINC000012093423 221150459 /nfs/dbraw/zinc/15/04/59/221150459.db2.gz BCOQJVFTNLTTLN-OAQYLSRUSA-N 2 1 382.548 4.096 50 0 GIAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1O ZINC000012093423 221150461 /nfs/dbraw/zinc/15/04/61/221150461.db2.gz BCOQJVFTNLTTLN-OAQYLSRUSA-N 2 1 382.548 4.096 50 0 GIAAMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000252513115 570477704 /nfs/dbraw/zinc/47/77/04/570477704.db2.gz XJVSDCMEXSTBLQ-KFEALIJWSA-N 2 1 376.544 4.264 50 0 GIAAMP COCC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012712727 570703211 /nfs/dbraw/zinc/70/32/11/570703211.db2.gz OPXLMMNTEGECSV-NRFANRHFSA-N 2 1 396.550 4.154 50 0 GIAAMP COCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012712727 570703214 /nfs/dbraw/zinc/70/32/14/570703214.db2.gz OPXLMMNTEGECSV-NRFANRHFSA-N 2 1 396.550 4.154 50 0 GIAAMP COCC[NH+](Cc1cccc(F)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012712727 570703216 /nfs/dbraw/zinc/70/32/16/570703216.db2.gz OPXLMMNTEGECSV-NRFANRHFSA-N 2 1 396.550 4.154 50 0 GIAAMP COCC[NH+](Cc1cccc(F)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012712727 570703220 /nfs/dbraw/zinc/70/32/20/570703220.db2.gz OPXLMMNTEGECSV-NRFANRHFSA-N 2 1 396.550 4.154 50 0 GIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cc(C)c(O)c(C)c3)C2)cc1 ZINC000014971891 570868073 /nfs/dbraw/zinc/86/80/73/570868073.db2.gz HPAMTKGDMBICGY-QFIPXVFZSA-N 2 1 396.575 4.404 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cc(C)c(O)c(C)c3)C2)cc1 ZINC000014971891 570868075 /nfs/dbraw/zinc/86/80/75/570868075.db2.gz HPAMTKGDMBICGY-QFIPXVFZSA-N 2 1 396.575 4.404 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cc(C)c(O)c(C)c3)C2)cc1 ZINC000014971891 570868077 /nfs/dbraw/zinc/86/80/77/570868077.db2.gz HPAMTKGDMBICGY-QFIPXVFZSA-N 2 1 396.575 4.404 50 0 GIAAMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cc1OC ZINC000014974264 570868104 /nfs/dbraw/zinc/86/81/04/570868104.db2.gz RDXPVGPRONDETI-QFIPXVFZSA-N 2 1 396.575 4.399 50 0 GIAAMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cc1OC ZINC000014974264 570868105 /nfs/dbraw/zinc/86/81/05/570868105.db2.gz RDXPVGPRONDETI-QFIPXVFZSA-N 2 1 396.575 4.399 50 0 GIAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1OC ZINC000014974264 570868107 /nfs/dbraw/zinc/86/81/07/570868107.db2.gz RDXPVGPRONDETI-QFIPXVFZSA-N 2 1 396.575 4.399 50 0 GIAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1OC ZINC000014974264 570868108 /nfs/dbraw/zinc/86/81/08/570868108.db2.gz RDXPVGPRONDETI-QFIPXVFZSA-N 2 1 396.575 4.399 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccncc2)C[C@@H]2CCCO2)CC1 ZINC000095497837 571074855 /nfs/dbraw/zinc/07/48/55/571074855.db2.gz QLMSLHMFEXHBQC-VWLOTQADSA-N 2 1 393.575 4.283 50 0 GIAAMP C[NH+](C)CCCOc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1 ZINC000014965488 818279988 /nfs/dbraw/zinc/27/99/88/818279988.db2.gz MOQYOPGLHUTWNL-VWLOTQADSA-N 2 1 399.623 4.105 50 0 GIAAMP C[NH+](C)CCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC000014965488 818279997 /nfs/dbraw/zinc/27/99/97/818279997.db2.gz MOQYOPGLHUTWNL-VWLOTQADSA-N 3 1 399.623 4.105 50 0 GIAAMP C[NH+](C)CCCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC000014965488 818280005 /nfs/dbraw/zinc/28/00/05/818280005.db2.gz MOQYOPGLHUTWNL-VWLOTQADSA-N 3 1 399.623 4.105 50 0 GIAAMP C[NH+](C)CCCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC000014965488 818280014 /nfs/dbraw/zinc/28/00/14/818280014.db2.gz MOQYOPGLHUTWNL-VWLOTQADSA-N 3 1 399.623 4.105 50 0 GIAAMP C[NH+](C)CCCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1 ZINC000014965488 818280021 /nfs/dbraw/zinc/28/00/21/818280021.db2.gz MOQYOPGLHUTWNL-VWLOTQADSA-N 3 1 399.623 4.105 50 0 GIAAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000575317153 823953312 /nfs/dbraw/zinc/95/33/12/823953312.db2.gz CBORPPHIQDLEBG-SFHVURJKSA-N 2 1 395.469 4.311 50 0 GIAAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000575317153 823953316 /nfs/dbraw/zinc/95/33/16/823953316.db2.gz CBORPPHIQDLEBG-SFHVURJKSA-N 2 1 395.469 4.311 50 0 GIAAMP COc1cccc(C[NH+]2CCC(Cn3c(C)c[nH+]c3C3CCC3)CC2)c1OC ZINC000575549142 823976308 /nfs/dbraw/zinc/97/63/08/823976308.db2.gz HPHILSDXVMHUAQ-UHFFFAOYSA-N 2 1 383.536 4.388 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3c[nH]nc3-c3cccc(F)c3)CC2)o1 ZINC000011661199 204347337 /nfs/dbraw/zinc/34/73/37/204347337.db2.gz FKOZZRWPMCYYJJ-UHFFFAOYSA-N 2 1 396.510 4.461 50 0 GIAAMP Cc1cc(C)n(CCC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)n1 ZINC000011878454 204359730 /nfs/dbraw/zinc/35/97/30/204359730.db2.gz QCOXWDIPXPFLED-XMMPIXPASA-N 2 1 380.580 4.187 50 0 GIAAMP Cc1cc(C)n(CCC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)n1 ZINC000011878454 204359733 /nfs/dbraw/zinc/35/97/33/204359733.db2.gz QCOXWDIPXPFLED-XMMPIXPASA-N 2 1 380.580 4.187 50 0 GIAAMP Cc1cc(C)n(CCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)n1 ZINC000011878454 204359738 /nfs/dbraw/zinc/35/97/38/204359738.db2.gz QCOXWDIPXPFLED-XMMPIXPASA-N 2 1 380.580 4.187 50 0 GIAAMP COc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012054147 204369512 /nfs/dbraw/zinc/36/95/12/204369512.db2.gz WEWHKOOHXDPLAS-DEOSSOPVSA-N 2 1 386.580 4.331 50 0 GIAAMP FC(F)(F)CCC[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012208644 204383398 /nfs/dbraw/zinc/38/33/98/204383398.db2.gz BEQNGHIJGIHRMN-LJQANCHMSA-N 2 1 376.507 4.465 50 0 GIAAMP Cc1cc(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000095502787 136179834 /nfs/dbraw/zinc/17/98/34/136179834.db2.gz NDBNLELSKODXTG-UHFFFAOYSA-N 3 1 377.536 4.075 50 0 GIAAMP Cc1cc(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)nc2ccccc12 ZINC000095528854 136181638 /nfs/dbraw/zinc/18/16/38/136181638.db2.gz FDWAPVHYCJYBOC-UHFFFAOYSA-N 2 1 377.536 4.075 50 0 GIAAMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)C[NH+](C1CCCC1)C2 ZINC000065239009 222114770 /nfs/dbraw/zinc/11/47/70/222114770.db2.gz CLMMVRRSGIRGGP-QGZVFWFLSA-N 2 1 375.582 4.001 50 0 GIAAMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(s1)C[NH+](C1CCCC1)C2 ZINC000065239009 222114773 /nfs/dbraw/zinc/11/47/73/222114773.db2.gz CLMMVRRSGIRGGP-QGZVFWFLSA-N 2 1 375.582 4.001 50 0 GIAAMP CC[C@@H]1CCCC[NH+]1CCNC(=O)c1cc2c(s1)C[N@@H+](C1CCCC1)C2 ZINC000065239009 222114778 /nfs/dbraw/zinc/11/47/78/222114778.db2.gz CLMMVRRSGIRGGP-QGZVFWFLSA-N 2 1 375.582 4.001 50 0 GIAAMP CC[C@@H]1CCCC[NH+]1CCNC(=O)c1cc2c(s1)C[N@H+](C1CCCC1)C2 ZINC000065239009 222114781 /nfs/dbraw/zinc/11/47/81/222114781.db2.gz CLMMVRRSGIRGGP-QGZVFWFLSA-N 2 1 375.582 4.001 50 0 GIAAMP OC[C@]1(CCc2ccccc2)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019227162 570963722 /nfs/dbraw/zinc/96/37/22/570963722.db2.gz CYONRDXBEYTDII-SANMLTNESA-N 2 1 392.587 4.358 50 0 GIAAMP OC[C@]1(CCc2ccccc2)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019227162 570963725 /nfs/dbraw/zinc/96/37/25/570963725.db2.gz CYONRDXBEYTDII-SANMLTNESA-N 2 1 392.587 4.358 50 0 GIAAMP C[N@H+](C[C@@H](O)COc1cccc(C[NH+]2Cc3ccccc3C2)c1)C1CCCCC1 ZINC000095526388 571091132 /nfs/dbraw/zinc/09/11/32/571091132.db2.gz YZHPRRTVTRWSSM-XMMPIXPASA-N 2 1 394.559 4.207 50 0 GIAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH+]2Cc3ccccc3C2)c1)C1CCCCC1 ZINC000095526388 571091136 /nfs/dbraw/zinc/09/11/36/571091136.db2.gz YZHPRRTVTRWSSM-XMMPIXPASA-N 2 1 394.559 4.207 50 0 GIAAMP CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3C=C12 ZINC000012885874 818191827 /nfs/dbraw/zinc/19/18/27/818191827.db2.gz QAWLQHTXXUNGCV-SWXWDQRWSA-N 2 1 398.591 4.171 50 0 GIAAMP CC[N@@H+](Cc1ccccc1OC)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011700693 204351391 /nfs/dbraw/zinc/35/13/91/204351391.db2.gz GCUMGXTWNISIRR-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[N@H+](Cc1ccccc1OC)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011700693 204351395 /nfs/dbraw/zinc/35/13/95/204351395.db2.gz GCUMGXTWNISIRR-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1ccccc1OC)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011700693 204351400 /nfs/dbraw/zinc/35/14/00/204351400.db2.gz GCUMGXTWNISIRR-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1ccccc1OC)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011700693 204351402 /nfs/dbraw/zinc/35/14/02/204351402.db2.gz GCUMGXTWNISIRR-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](C/C=C/c3ccco3)C2)cc1 ZINC000012210077 204384485 /nfs/dbraw/zinc/38/44/85/204384485.db2.gz UWAQTGCOELVGMP-NAASZUNDSA-N 2 1 390.487 4.138 50 0 GIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](C/C=C/c3ccco3)C2)cc1 ZINC000012210077 204384488 /nfs/dbraw/zinc/38/44/88/204384488.db2.gz UWAQTGCOELVGMP-NAASZUNDSA-N 2 1 390.487 4.138 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccc(F)cc1Cl ZINC000040720234 205068469 /nfs/dbraw/zinc/06/84/69/205068469.db2.gz XSUWPPBMXMWWCZ-UHFFFAOYSA-N 2 1 394.918 4.498 50 0 GIAAMP CC(=O)Nc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000047721621 205111665 /nfs/dbraw/zinc/11/16/65/205111665.db2.gz VIVBXINZMNMIBM-KDURUIRLSA-N 2 1 379.548 4.413 50 0 GIAAMP CCn1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000055211112 205145186 /nfs/dbraw/zinc/14/51/86/205145186.db2.gz JJTCTBXUFSYMMQ-UHFFFAOYSA-N 2 1 395.595 4.263 50 0 GIAAMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)C[NH+](C1CCCC1)C2 ZINC000065239010 205221020 /nfs/dbraw/zinc/22/10/20/205221020.db2.gz CLMMVRRSGIRGGP-KRWDZBQOSA-N 2 1 375.582 4.001 50 0 GIAAMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(s1)C[NH+](C1CCCC1)C2 ZINC000065239010 205221024 /nfs/dbraw/zinc/22/10/24/205221024.db2.gz CLMMVRRSGIRGGP-KRWDZBQOSA-N 2 1 375.582 4.001 50 0 GIAAMP CC[C@H]1CCCC[NH+]1CCNC(=O)c1cc2c(s1)C[N@@H+](C1CCCC1)C2 ZINC000065239010 205221029 /nfs/dbraw/zinc/22/10/29/205221029.db2.gz CLMMVRRSGIRGGP-KRWDZBQOSA-N 2 1 375.582 4.001 50 0 GIAAMP CC[C@H]1CCCC[NH+]1CCNC(=O)c1cc2c(s1)C[N@H+](C1CCCC1)C2 ZINC000065239010 205221033 /nfs/dbraw/zinc/22/10/33/205221033.db2.gz CLMMVRRSGIRGGP-KRWDZBQOSA-N 2 1 375.582 4.001 50 0 GIAAMP C[N@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCC[NH2+]C3)C1 ZINC000299762757 206186364 /nfs/dbraw/zinc/18/63/64/206186364.db2.gz AKIKUCUYSASDCP-INIZCTEOSA-N 2 1 386.923 4.210 50 0 GIAAMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cc1O ZINC000012093422 221150550 /nfs/dbraw/zinc/15/05/50/221150550.db2.gz BCOQJVFTNLTTLN-NRFANRHFSA-N 2 1 382.548 4.096 50 0 GIAAMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cc1O ZINC000012093422 221150552 /nfs/dbraw/zinc/15/05/52/221150552.db2.gz BCOQJVFTNLTTLN-NRFANRHFSA-N 2 1 382.548 4.096 50 0 GIAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1O ZINC000012093422 221150554 /nfs/dbraw/zinc/15/05/54/221150554.db2.gz BCOQJVFTNLTTLN-NRFANRHFSA-N 2 1 382.548 4.096 50 0 GIAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1O ZINC000012093422 221150557 /nfs/dbraw/zinc/15/05/57/221150557.db2.gz BCOQJVFTNLTTLN-NRFANRHFSA-N 2 1 382.548 4.096 50 0 GIAAMP CCOC(=O)/C=C/c1ccc([C@@H]2CCC[N@H+]2CCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000097447448 570244562 /nfs/dbraw/zinc/24/45/62/570244562.db2.gz CFOIYFNSIAUVFH-JIWMQAFSSA-N 2 1 390.527 4.246 50 0 GIAAMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000012457528 570669721 /nfs/dbraw/zinc/66/97/21/570669721.db2.gz GTDXNKFENBFSPG-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000012457528 570669725 /nfs/dbraw/zinc/66/97/25/570669725.db2.gz GTDXNKFENBFSPG-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000012457528 570669729 /nfs/dbraw/zinc/66/97/29/570669729.db2.gz GTDXNKFENBFSPG-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP COc1ccc(CC[N@H+](Cc2ccc(OC)c(C)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012714811 570703719 /nfs/dbraw/zinc/70/37/19/570703719.db2.gz RZDGFGWLBSCLJC-UHFFFAOYSA-N 2 1 396.575 4.399 50 0 GIAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](C[C@H](C)CCC=C(C)C)CC2)CC1 ZINC000014979905 570869078 /nfs/dbraw/zinc/86/90/78/570869078.db2.gz RAHQZNHHLMRGDX-OAQYLSRUSA-N 2 1 377.617 4.025 50 0 GIAAMP c1nc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC000095525530 571090508 /nfs/dbraw/zinc/09/05/08/571090508.db2.gz GTQRHILEUOKADP-FQEVSTJZSA-N 2 1 390.641 4.086 50 0 GIAAMP COCC[N@@H+](CCc1ccccc1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012303475 818153710 /nfs/dbraw/zinc/15/37/10/818153710.db2.gz ZQKZLVQOAXZMFZ-UHFFFAOYSA-N 2 1 384.539 4.229 50 0 GIAAMP CCCCc1ncc(C[N@@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)[nH]1 ZINC000012317871 818154277 /nfs/dbraw/zinc/15/42/77/818154277.db2.gz ZBWLYYNUNQQXBQ-UHFFFAOYSA-N 2 1 398.595 4.147 50 0 GIAAMP CCCCc1nc(C[N@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)c[nH]1 ZINC000012317871 818154280 /nfs/dbraw/zinc/15/42/80/818154280.db2.gz ZBWLYYNUNQQXBQ-UHFFFAOYSA-N 2 1 398.595 4.147 50 0 GIAAMP CCCCc1nc(C[N@@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)c[nH]1 ZINC000012317871 818154284 /nfs/dbraw/zinc/15/42/84/818154284.db2.gz ZBWLYYNUNQQXBQ-UHFFFAOYSA-N 2 1 398.595 4.147 50 0 GIAAMP O=C(C1CCCC1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014949830 818278913 /nfs/dbraw/zinc/27/89/13/818278913.db2.gz ZZUYRNWRMXJYSM-NRFANRHFSA-N 2 1 389.628 4.146 50 0 GIAAMP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CSCCSC4)C3)C2)c1 ZINC000015073147 818287661 /nfs/dbraw/zinc/28/76/61/818287661.db2.gz UUXVAYZRCVOPFK-NRFANRHFSA-N 2 1 376.635 4.132 50 0 GIAAMP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CSCCSC4)C3)C2)c1 ZINC000015073147 818287669 /nfs/dbraw/zinc/28/76/69/818287669.db2.gz UUXVAYZRCVOPFK-NRFANRHFSA-N 2 1 376.635 4.132 50 0 GIAAMP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CSCCSC4)C3)C2)c1 ZINC000015073147 818287674 /nfs/dbraw/zinc/28/76/74/818287674.db2.gz UUXVAYZRCVOPFK-NRFANRHFSA-N 2 1 376.635 4.132 50 0 GIAAMP CCOc1ccccc1C[N@@H+]1CCC[C@H](Cn2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575547603 823976426 /nfs/dbraw/zinc/97/64/26/823976426.db2.gz LQNHYLKUDDXGDY-FQEVSTJZSA-N 2 1 397.563 4.396 50 0 GIAAMP CCOc1ccccc1C[N@H+]1CCC[C@H](Cn2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575547603 823976432 /nfs/dbraw/zinc/97/64/32/823976432.db2.gz LQNHYLKUDDXGDY-FQEVSTJZSA-N 2 1 397.563 4.396 50 0 GIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662018 204348718 /nfs/dbraw/zinc/34/87/18/204348718.db2.gz PYLLKFZVPVVKEW-QFIPXVFZSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662018 204348722 /nfs/dbraw/zinc/34/87/22/204348722.db2.gz PYLLKFZVPVVKEW-QFIPXVFZSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662018 204348725 /nfs/dbraw/zinc/34/87/25/204348725.db2.gz PYLLKFZVPVVKEW-QFIPXVFZSA-N 2 1 382.548 4.090 50 0 GIAAMP C[N@H+](Cc1nc(-c2ccccc2)no1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000011842795 204357492 /nfs/dbraw/zinc/35/74/92/204357492.db2.gz NYFKAYWGJWQUGD-UHFFFAOYSA-N 2 1 376.504 4.081 50 0 GIAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2nc(C)c[nH]2)CC(C)C)CC1 ZINC000012316712 204396118 /nfs/dbraw/zinc/39/61/18/204396118.db2.gz NTVNGIAYMYDDOI-UHFFFAOYSA-N 2 1 384.568 4.097 50 0 GIAAMP CCOc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)c1 ZINC000055228093 205144568 /nfs/dbraw/zinc/14/45/68/205144568.db2.gz AULWIBKLWNFNDA-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)c1 ZINC000055228093 205144574 /nfs/dbraw/zinc/14/45/74/205144574.db2.gz AULWIBKLWNFNDA-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c1 ZINC000055228093 205144578 /nfs/dbraw/zinc/14/45/78/205144578.db2.gz AULWIBKLWNFNDA-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1cc(C[N@@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)ccc1OC ZINC000012073281 221146864 /nfs/dbraw/zinc/14/68/64/221146864.db2.gz KIIFGEFMMLRAPS-UHFFFAOYSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012744683 570707555 /nfs/dbraw/zinc/70/75/55/570707555.db2.gz CDAIBHINCKYILG-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1ccc(OC)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012744683 570707557 /nfs/dbraw/zinc/70/75/57/570707557.db2.gz CDAIBHINCKYILG-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1ccc(OC)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012744683 570707559 /nfs/dbraw/zinc/70/75/59/570707559.db2.gz CDAIBHINCKYILG-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012744686 570707637 /nfs/dbraw/zinc/70/76/37/570707637.db2.gz CDAIBHINCKYILG-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1ccc(OC)cc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012744686 570707641 /nfs/dbraw/zinc/70/76/41/570707641.db2.gz CDAIBHINCKYILG-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1ccc(OC)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012744686 570707642 /nfs/dbraw/zinc/70/76/42/570707642.db2.gz CDAIBHINCKYILG-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000014968650 570867323 /nfs/dbraw/zinc/86/73/23/570867323.db2.gz HYTXEDZJZZZLOV-QFIPXVFZSA-N 2 1 398.595 4.249 50 0 GIAAMP CC[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000014968650 570867325 /nfs/dbraw/zinc/86/73/25/570867325.db2.gz HYTXEDZJZZZLOV-QFIPXVFZSA-N 2 1 398.595 4.249 50 0 GIAAMP CC[NH+](Cc1cnn(C(C)C)c1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000014968650 570867327 /nfs/dbraw/zinc/86/73/27/570867327.db2.gz HYTXEDZJZZZLOV-QFIPXVFZSA-N 2 1 398.595 4.249 50 0 GIAAMP CC[NH+](Cc1cnn(C(C)C)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000014968650 570867329 /nfs/dbraw/zinc/86/73/29/570867329.db2.gz HYTXEDZJZZZLOV-QFIPXVFZSA-N 2 1 398.595 4.249 50 0 GIAAMP CCOc1ccccc1C[N@@H+](CCc1ccc(OC)cc1)CC1CC[NH+](C)CC1 ZINC000012314538 818154311 /nfs/dbraw/zinc/15/43/11/818154311.db2.gz LUDXJMRSFOJUGI-UHFFFAOYSA-N 2 1 396.575 4.480 50 0 GIAAMP COCC[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012701499 818176964 /nfs/dbraw/zinc/17/69/64/818176964.db2.gz PWIUYPAQUKDMRO-UHFFFAOYSA-N 2 1 382.548 4.056 50 0 GIAAMP CCC[NH+]1CCC([C@@H](Cc2ccccc2)[N@@H+](CCOC)Cc2ccccn2)CC1 ZINC000014979937 818279803 /nfs/dbraw/zinc/27/98/03/818279803.db2.gz BZCCUZYWQOLLSS-RUZDIDTESA-N 2 1 395.591 4.263 50 0 GIAAMP c1csc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000020351547 818619132 /nfs/dbraw/zinc/61/91/32/818619132.db2.gz KPUDEEASWJLVHD-HXUWFJFHSA-N 2 1 390.641 4.086 50 0 GIAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546602 823975534 /nfs/dbraw/zinc/97/55/34/823975534.db2.gz RLHCBKZHVATRDG-FQEVSTJZSA-N 2 1 378.520 4.404 50 0 GIAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546602 823975539 /nfs/dbraw/zinc/97/55/39/823975539.db2.gz RLHCBKZHVATRDG-FQEVSTJZSA-N 2 1 378.520 4.404 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008376951 204274527 /nfs/dbraw/zinc/27/45/27/204274527.db2.gz JUFUXZBIXVGNHN-UHFFFAOYSA-N 2 1 383.319 4.280 50 0 GIAAMP c1cnn(CCC[N@@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000011821327 204355546 /nfs/dbraw/zinc/35/55/46/204355546.db2.gz HZLIOGWZDDUZIM-HSZRJFAPSA-N 2 1 395.595 4.215 50 0 GIAAMP c1cnn(CCC[N@H+](Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000011821327 204355549 /nfs/dbraw/zinc/35/55/49/204355549.db2.gz HZLIOGWZDDUZIM-HSZRJFAPSA-N 2 1 395.595 4.215 50 0 GIAAMP c1cnn(CCC[NH+](Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000011821327 204355553 /nfs/dbraw/zinc/35/55/53/204355553.db2.gz HZLIOGWZDDUZIM-HSZRJFAPSA-N 2 1 395.595 4.215 50 0 GIAAMP c1cnn(CCC[NH+](Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011821327 204355557 /nfs/dbraw/zinc/35/55/57/204355557.db2.gz HZLIOGWZDDUZIM-HSZRJFAPSA-N 2 1 395.595 4.215 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000012052026 204368940 /nfs/dbraw/zinc/36/89/40/204368940.db2.gz QFAUZNOONDOKAP-UHFFFAOYSA-N 2 1 397.607 4.074 50 0 GIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](C/C=C/c3ccco3)C2)cc1 ZINC000012210072 204383745 /nfs/dbraw/zinc/38/37/45/204383745.db2.gz UWAQTGCOELVGMP-MTGFJVSHSA-N 2 1 390.487 4.138 50 0 GIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](C/C=C/c3ccco3)C2)cc1 ZINC000012210072 204383749 /nfs/dbraw/zinc/38/37/49/204383749.db2.gz UWAQTGCOELVGMP-MTGFJVSHSA-N 2 1 390.487 4.138 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3nccn3-c3cccc(C)c3)CC2)o1 ZINC000012305499 204393134 /nfs/dbraw/zinc/39/31/34/204393134.db2.gz GFQNDNAKGUVHBE-UHFFFAOYSA-N 2 1 392.547 4.426 50 0 GIAAMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804076 205135509 /nfs/dbraw/zinc/13/55/09/205135509.db2.gz WKBHDOVBMYDMIV-PGRDOPGGSA-N 2 1 397.588 4.054 50 0 GIAAMP COCC[N@@H+](CCc1ccccc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000015076690 205356625 /nfs/dbraw/zinc/35/66/25/205356625.db2.gz DJTUYQGHBQFPFG-QHCPKHFHSA-N 2 1 392.587 4.057 50 0 GIAAMP COCC[NH+](CCc1ccccc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000015076690 205356631 /nfs/dbraw/zinc/35/66/31/205356631.db2.gz DJTUYQGHBQFPFG-QHCPKHFHSA-N 2 1 392.587 4.057 50 0 GIAAMP COCC[NH+](CCc1ccccc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000015076690 205356634 /nfs/dbraw/zinc/35/66/34/205356634.db2.gz DJTUYQGHBQFPFG-QHCPKHFHSA-N 2 1 392.587 4.057 50 0 GIAAMP CCOc1ccccc1C[N@H+](C)C[C@H]1CCC[NH+](CCc2ccc(OC)cc2)C1 ZINC000055227860 206210929 /nfs/dbraw/zinc/21/09/29/206210929.db2.gz VLVSGKXHLHTPJU-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](CCc2ccc(OC)cc2)C1 ZINC000055227860 206210935 /nfs/dbraw/zinc/21/09/35/206210935.db2.gz VLVSGKXHLHTPJU-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000055227860 206210939 /nfs/dbraw/zinc/21/09/39/206210939.db2.gz VLVSGKXHLHTPJU-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000055227860 206210943 /nfs/dbraw/zinc/21/09/43/206210943.db2.gz VLVSGKXHLHTPJU-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095497497 136179655 /nfs/dbraw/zinc/17/96/55/136179655.db2.gz RVIWCXAPPIBPMB-GOSISDBHSA-N 2 1 397.954 4.420 50 0 GIAAMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)C[NH+](C1CCCC1)C2 ZINC000065239006 222113827 /nfs/dbraw/zinc/11/38/27/222113827.db2.gz UGTKQLRVASOEQY-MRXNPFEDSA-N 2 1 375.582 4.001 50 0 GIAAMP C[C@@H]1CCCC[NH+]1CCCNC(=O)c1cc2c(s1)C[N@@H+](C1CCCC1)C2 ZINC000065239006 222113831 /nfs/dbraw/zinc/11/38/31/222113831.db2.gz UGTKQLRVASOEQY-MRXNPFEDSA-N 2 1 375.582 4.001 50 0 GIAAMP C[C@@H]1CCCC[NH+]1CCCNC(=O)c1cc2c(s1)C[N@H+](C1CCCC1)C2 ZINC000065239006 222113835 /nfs/dbraw/zinc/11/38/35/222113835.db2.gz UGTKQLRVASOEQY-MRXNPFEDSA-N 2 1 375.582 4.001 50 0 GIAAMP c1cc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)ccn1 ZINC000023374928 570358247 /nfs/dbraw/zinc/35/82/47/570358247.db2.gz JQBQASLHBISGQA-HSZRJFAPSA-N 2 1 384.612 4.024 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cn(C)nc3-c3ccccc3)CC2)o1 ZINC000012477075 570673686 /nfs/dbraw/zinc/67/36/86/570673686.db2.gz JZXPBGDVHKFFME-UHFFFAOYSA-N 2 1 392.547 4.333 50 0 GIAAMP CC(=O)Nc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cc1 ZINC000014975671 570868564 /nfs/dbraw/zinc/86/85/64/570868564.db2.gz RKSDVDMDUOHFCA-HSZRJFAPSA-N 2 1 393.575 4.340 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1 ZINC000014975671 570868565 /nfs/dbraw/zinc/86/85/65/570868565.db2.gz RKSDVDMDUOHFCA-HSZRJFAPSA-N 2 1 393.575 4.340 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1 ZINC000014975671 570868567 /nfs/dbraw/zinc/86/85/67/570868567.db2.gz RKSDVDMDUOHFCA-HSZRJFAPSA-N 2 1 393.575 4.340 50 0 GIAAMP c1nc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC000095525531 571090649 /nfs/dbraw/zinc/09/06/49/571090649.db2.gz GTQRHILEUOKADP-HXUWFJFHSA-N 2 1 390.641 4.086 50 0 GIAAMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012587876 818168616 /nfs/dbraw/zinc/16/86/16/818168616.db2.gz POYCNIFPBFQXEL-OAQYLSRUSA-N 2 1 382.523 4.147 50 0 GIAAMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012587876 818168623 /nfs/dbraw/zinc/16/86/23/818168623.db2.gz POYCNIFPBFQXEL-OAQYLSRUSA-N 2 1 382.523 4.147 50 0 GIAAMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012587876 818168629 /nfs/dbraw/zinc/16/86/29/818168629.db2.gz POYCNIFPBFQXEL-OAQYLSRUSA-N 2 1 382.523 4.147 50 0 GIAAMP Fc1ccccc1CN1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000023374931 204804826 /nfs/dbraw/zinc/80/48/26/204804826.db2.gz BCQHVDZSUJRRNI-DEOSSOPVSA-N 2 1 395.566 4.087 50 0 GIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2cccc(SC)c2)CC1 ZINC000055199066 205146289 /nfs/dbraw/zinc/14/62/89/205146289.db2.gz KOAJFYJPNSQBJF-UHFFFAOYSA-N 2 1 399.604 4.164 50 0 GIAAMP Cc1cc(N2CCC3(CCC[N@H+]3Cc3ccc(CO)o3)CC2)c2ccccc2[nH+]1 ZINC000072428647 136169988 /nfs/dbraw/zinc/16/99/88/136169988.db2.gz FEMPVCBXWJVDAD-UHFFFAOYSA-N 2 1 391.515 4.264 50 0 GIAAMP CC(C)(C[NH2+]C1CCN(c2ccc(-c3cscn3)cc2)CC1)[NH+]1CCCC1 ZINC000064166249 535147260 /nfs/dbraw/zinc/14/72/60/535147260.db2.gz HDNKYAWSTYOPAE-UHFFFAOYSA-N 2 1 384.593 4.243 50 0 GIAAMP Cc1cccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000020910549 570284145 /nfs/dbraw/zinc/28/41/45/570284145.db2.gz PJQQKJZWRNQLII-HSZRJFAPSA-N 2 1 398.639 4.333 50 0 GIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccc(F)cc1Cl ZINC000002874811 570314502 /nfs/dbraw/zinc/31/45/02/570314502.db2.gz ISJAYBNGYSGENB-UHFFFAOYSA-N 2 1 380.891 4.108 50 0 GIAAMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)cc1 ZINC000012596832 570689700 /nfs/dbraw/zinc/68/97/00/570689700.db2.gz ZSRCUIUSMMQNNW-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)cc1 ZINC000012596832 570689702 /nfs/dbraw/zinc/68/97/02/570689702.db2.gz ZSRCUIUSMMQNNW-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)cc1 ZINC000012596832 570689705 /nfs/dbraw/zinc/68/97/05/570689705.db2.gz ZSRCUIUSMMQNNW-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP COCc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)ccc1OC ZINC000012754599 570710298 /nfs/dbraw/zinc/71/02/98/570710298.db2.gz CBBYAZYQZXRFKJ-UHFFFAOYSA-N 2 1 386.536 4.087 50 0 GIAAMP C[NH+](C)CCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010435612 570790630 /nfs/dbraw/zinc/79/06/30/570790630.db2.gz XRIPAJRSQRTRTM-UHFFFAOYSA-N 2 1 377.326 4.069 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3c[nH]nc3-c3ccccc3)CC2)o1 ZINC000015077828 570879017 /nfs/dbraw/zinc/87/90/17/570879017.db2.gz LNLBYXUJDWZZPV-UHFFFAOYSA-N 2 1 378.520 4.322 50 0 GIAAMP Cc1ccccc1CC[NH+]1CCC(C[N@H+](Cc2cncn2C)C2CCCC2)CC1 ZINC000095525338 571090016 /nfs/dbraw/zinc/09/00/16/571090016.db2.gz XYHBRPWIQMKYGB-UHFFFAOYSA-N 2 1 394.607 4.428 50 0 GIAAMP C[NH+]1CCC(C[N@@H+](CCc2ccccc2)Cc2ccc3nsnc3c2)CC1 ZINC000011817642 818124120 /nfs/dbraw/zinc/12/41/20/818124120.db2.gz MFNSAAYPAXGEAH-UHFFFAOYSA-N 2 1 380.561 4.078 50 0 GIAAMP CCC[NH+]1CCC([C@@H](Cc2ccccc2)[N@@H+](CCOC)Cc2cccnc2)CC1 ZINC000012152880 818144133 /nfs/dbraw/zinc/14/41/33/818144133.db2.gz GDZOTZSCUGVPOS-RUZDIDTESA-N 2 1 395.591 4.263 50 0 GIAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCCCC1 ZINC000012430866 818158880 /nfs/dbraw/zinc/15/88/80/818158880.db2.gz WCBJMZIHKIGWPX-QHCPKHFHSA-N 2 1 397.607 4.156 50 0 GIAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCCCC1 ZINC000012430866 818158887 /nfs/dbraw/zinc/15/88/87/818158887.db2.gz WCBJMZIHKIGWPX-QHCPKHFHSA-N 2 1 397.607 4.156 50 0 GIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)CC1 ZINC000055195767 822944853 /nfs/dbraw/zinc/94/48/53/822944853.db2.gz SCCNXFUWAWXNHD-UHFFFAOYSA-N 2 1 387.955 4.096 50 0 GIAAMP C[N@H+](Cc1ccc2nsnc2c1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000014948259 207032920 /nfs/dbraw/zinc/03/29/20/207032920.db2.gz HPBCDPQIHSHKQG-LJQANCHMSA-N 2 1 398.551 4.217 50 0 GIAAMP C[NH+](Cc1ccc2nsnc2c1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000014948259 207032922 /nfs/dbraw/zinc/03/29/22/207032922.db2.gz HPBCDPQIHSHKQG-LJQANCHMSA-N 2 1 398.551 4.217 50 0 GIAAMP C[NH+](Cc1ccc2nsnc2c1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000014948259 207032926 /nfs/dbraw/zinc/03/29/26/207032926.db2.gz HPBCDPQIHSHKQG-LJQANCHMSA-N 2 1 398.551 4.217 50 0 GIAAMP c1cc([C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)nc(SCC[NH+]2CCCC2)n1 ZINC000014958804 207034153 /nfs/dbraw/zinc/03/41/53/207034153.db2.gz SPRVECQWUVNPFJ-PMACEKPBSA-N 2 1 386.609 4.200 50 0 GIAAMP CC1(C)CC(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000014965805 207035635 /nfs/dbraw/zinc/03/56/35/207035635.db2.gz QRSIBIYEYDCZEF-HXUWFJFHSA-N 2 1 377.617 4.094 50 0 GIAAMP c1ccc(CC[NH+]2CCC(N3CC[N@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)CC2)cc1 ZINC000022078494 207246264 /nfs/dbraw/zinc/24/62/64/207246264.db2.gz UFVFYWFHQFROLA-FTJBHMTQSA-N 2 1 395.635 4.422 50 0 GIAAMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NC3CC(C)(C)[NH2+]C(C)(C)C3)c12 ZINC000024747357 207294766 /nfs/dbraw/zinc/29/47/66/207294766.db2.gz WTXOZUXAZVMVDR-UHFFFAOYSA-N 2 1 381.524 4.411 50 0 GIAAMP C[NH+](C)Cc1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)o1 ZINC000299795134 209091507 /nfs/dbraw/zinc/09/15/07/209091507.db2.gz NXEJXJVRNYRALC-OTWHNJEPSA-N 2 1 378.476 4.084 50 0 GIAAMP Cc1nc[nH]c1C[N@H+]1CCCC12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000072418898 136169737 /nfs/dbraw/zinc/16/97/37/136169737.db2.gz VNBCSUZPDVUNRM-UHFFFAOYSA-N 2 1 375.520 4.210 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cccn3-c3nccs3)CC2)o1 ZINC000011879303 570591218 /nfs/dbraw/zinc/59/12/18/570591218.db2.gz HRBKZBOAHXKRGI-UHFFFAOYSA-N 2 1 384.549 4.179 50 0 GIAAMP COc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(F)c1 ZINC000012303405 570637637 /nfs/dbraw/zinc/63/76/37/570637637.db2.gz AUDAPJSJVSDMCR-UHFFFAOYSA-N 2 1 388.502 4.360 50 0 GIAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccccc3OC)C2)cc1 ZINC000055182676 570686092 /nfs/dbraw/zinc/68/60/92/570686092.db2.gz XCWSIAIDLSAODY-OAQYLSRUSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccccc3OC)C2)cc1 ZINC000055182676 570686097 /nfs/dbraw/zinc/68/60/97/570686097.db2.gz XCWSIAIDLSAODY-OAQYLSRUSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccccc3OC)C2)cc1 ZINC000055182676 570686102 /nfs/dbraw/zinc/68/61/02/570686102.db2.gz XCWSIAIDLSAODY-OAQYLSRUSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccccc3OC)C2)cc1 ZINC000055182676 570686106 /nfs/dbraw/zinc/68/61/06/570686106.db2.gz XCWSIAIDLSAODY-OAQYLSRUSA-N 2 1 382.548 4.090 50 0 GIAAMP Cc1cccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n1 ZINC000055269626 570689089 /nfs/dbraw/zinc/68/90/89/570689089.db2.gz CPWOGQNJSDYFOP-UHFFFAOYSA-N 2 1 378.564 4.442 50 0 GIAAMP CCOc1ccccc1C[N@@H+](C)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000012836714 570723503 /nfs/dbraw/zinc/72/35/03/570723503.db2.gz CTJUCPGPYJZYHC-UHFFFAOYSA-N 2 1 396.575 4.480 50 0 GIAAMP Clc1ccc(C[N@@H+]2CC[C@H](C3CCN(c4[nH+]cnc5[nH]ccc54)CC3)C2)cc1 ZINC000072142162 570869829 /nfs/dbraw/zinc/86/98/29/570869829.db2.gz OIPSFUNCYZYLJL-SFHVURJKSA-N 2 1 395.938 4.350 50 0 GIAAMP Clc1ccc(C[N@H+]2CC[C@H](C3CCN(c4[nH+]cnc5[nH]ccc54)CC3)C2)cc1 ZINC000072142162 570869832 /nfs/dbraw/zinc/86/98/32/570869832.db2.gz OIPSFUNCYZYLJL-SFHVURJKSA-N 2 1 395.938 4.350 50 0 GIAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C[C@@H]1CC=CCC1 ZINC000012596172 570884485 /nfs/dbraw/zinc/88/44/85/570884485.db2.gz AKTWKXGFVSIHBR-OAQYLSRUSA-N 2 1 386.580 4.212 50 0 GIAAMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804078 570923225 /nfs/dbraw/zinc/92/32/25/570923225.db2.gz WKBHDOVBMYDMIV-XMSQKQJNSA-N 2 1 397.588 4.054 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3nc4ccccc4nc3C)CC2)o1 ZINC000014954145 818278992 /nfs/dbraw/zinc/27/89/92/818278992.db2.gz DIMHHUGLMMLCAT-UHFFFAOYSA-N 2 1 378.520 4.184 50 0 GIAAMP C[N@@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC000014964572 207035149 /nfs/dbraw/zinc/03/51/49/207035149.db2.gz YOPUQFPHVIAKLZ-OAQYLSRUSA-N 2 1 376.560 4.217 50 0 GIAAMP Fc1ccc(N2CCC([N@H+]3CC[C@@]4(C3)CCC[NH+](CC3CCC3)C4)CC2)cc1 ZINC000012318212 207287045 /nfs/dbraw/zinc/28/70/45/207287045.db2.gz BEKWYHCPSWYJFG-DEOSSOPVSA-N 2 1 385.571 4.383 50 0 GIAAMP Fc1ccc(N2CCC([NH+]3CC[C@@]4(C3)CCC[N@H+](CC3CCC3)C4)CC2)cc1 ZINC000012318212 207287050 /nfs/dbraw/zinc/28/70/50/207287050.db2.gz BEKWYHCPSWYJFG-DEOSSOPVSA-N 2 1 385.571 4.383 50 0 GIAAMP Fc1ccc(N2CCC([NH+]3CC[C@@]4(C3)CCC[N@@H+](CC3CCC3)C4)CC2)cc1 ZINC000012318212 207287054 /nfs/dbraw/zinc/28/70/54/207287054.db2.gz BEKWYHCPSWYJFG-DEOSSOPVSA-N 2 1 385.571 4.383 50 0 GIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cncn3C3CC3)CC2)C1 ZINC000091475787 208119761 /nfs/dbraw/zinc/11/97/61/208119761.db2.gz RTAWXQVWDLELGP-OAQYLSRUSA-N 2 1 378.564 4.310 50 0 GIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cncn3C3CC3)CC2)C1 ZINC000091475791 208120499 /nfs/dbraw/zinc/12/04/99/208120499.db2.gz RTAWXQVWDLELGP-NRFANRHFSA-N 2 1 378.564 4.310 50 0 GIAAMP O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1)NC1CC1 ZINC000012004724 570598331 /nfs/dbraw/zinc/59/83/31/570598331.db2.gz JJVRWNDRNICFFU-GOSISDBHSA-N 2 1 389.609 4.005 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000040720423 570605468 /nfs/dbraw/zinc/60/54/68/570605468.db2.gz JZEJEZWJSBWQOQ-UHFFFAOYSA-N 2 1 397.744 4.381 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCc1ccccc1C ZINC000040720510 570605515 /nfs/dbraw/zinc/60/55/15/570605515.db2.gz DFIRGNSZQRNTKI-UHFFFAOYSA-N 2 1 376.928 4.325 50 0 GIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000012317700 570642017 /nfs/dbraw/zinc/64/20/17/570642017.db2.gz FKJFKRVRDQUGEO-HSZRJFAPSA-N 2 1 399.498 4.265 50 0 GIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000012317700 570642018 /nfs/dbraw/zinc/64/20/18/570642018.db2.gz FKJFKRVRDQUGEO-HSZRJFAPSA-N 2 1 399.498 4.265 50 0 GIAAMP CCn1ccnc1C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012447000 570666782 /nfs/dbraw/zinc/66/67/82/570666782.db2.gz SDLHFSCDEZVDIO-HXUWFJFHSA-N 2 1 386.971 4.291 50 0 GIAAMP CCn1ccnc1C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012447000 570666786 /nfs/dbraw/zinc/66/67/86/570666786.db2.gz SDLHFSCDEZVDIO-HXUWFJFHSA-N 2 1 386.971 4.291 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC1 ZINC000055118829 570683630 /nfs/dbraw/zinc/68/36/30/570683630.db2.gz FTBAFWMYSTWYBO-UHFFFAOYSA-N 2 1 397.607 4.120 50 0 GIAAMP c1ccc(-c2noc(C3CC[NH+](C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)CC3)n2)cc1 ZINC000055269946 570689399 /nfs/dbraw/zinc/68/93/99/570689399.db2.gz CNTYSQHNBQGEKO-LEWJYISDSA-N 2 1 380.536 4.181 50 0 GIAAMP c1ccc(-c2noc(C3CC[NH+](C[C@@H]4CCC[N@H+]5CCCC[C@H]45)CC3)n2)cc1 ZINC000055269946 570689400 /nfs/dbraw/zinc/68/94/00/570689400.db2.gz CNTYSQHNBQGEKO-LEWJYISDSA-N 2 1 380.536 4.181 50 0 GIAAMP CC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cs1 ZINC000012709504 570701711 /nfs/dbraw/zinc/70/17/11/570701711.db2.gz LWRQRSMXUOEAEX-UHFFFAOYSA-N 2 1 388.552 4.476 50 0 GIAAMP Cc1nc2c(s1)[C@H]([NH+]1CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)CCC2 ZINC000170602810 570861966 /nfs/dbraw/zinc/86/19/66/570861966.db2.gz BKPWTQHTQNDHHJ-GQIGUUNPSA-N 2 1 377.598 4.040 50 0 GIAAMP Clc1ccc(C[N@@H+]2CC[C@@H](C3CCN(c4[nH+]cnc5[nH]ccc54)CC3)C2)cc1 ZINC000072142163 570870029 /nfs/dbraw/zinc/87/00/29/570870029.db2.gz OIPSFUNCYZYLJL-GOSISDBHSA-N 2 1 395.938 4.350 50 0 GIAAMP Clc1ccc(C[N@H+]2CC[C@@H](C3CCN(c4[nH+]cnc5[nH]ccc54)CC3)C2)cc1 ZINC000072142163 570870030 /nfs/dbraw/zinc/87/00/30/570870030.db2.gz OIPSFUNCYZYLJL-GOSISDBHSA-N 2 1 395.938 4.350 50 0 GIAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C[C@H]1CC=CCC1 ZINC000012596168 570884540 /nfs/dbraw/zinc/88/45/40/570884540.db2.gz AKTWKXGFVSIHBR-NRFANRHFSA-N 2 1 386.580 4.212 50 0 GIAAMP CC(C)CC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012752267 818180721 /nfs/dbraw/zinc/18/07/21/818180721.db2.gz PDTZBEIXUHRLPZ-OAQYLSRUSA-N 2 1 377.617 4.002 50 0 GIAAMP COC(=O)CC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+](C)C ZINC000014998736 207039795 /nfs/dbraw/zinc/03/97/95/207039795.db2.gz IJSYVHHGDCWUMF-LADGPHEKSA-N 2 1 394.559 4.024 50 0 GIAAMP Fc1ccc(N2CCC([N@H+]3CC[C@]4(C3)CCC[NH+](CC3CCC3)C4)CC2)cc1 ZINC000012318210 207288166 /nfs/dbraw/zinc/28/81/66/207288166.db2.gz BEKWYHCPSWYJFG-XMMPIXPASA-N 2 1 385.571 4.383 50 0 GIAAMP Fc1ccc(N2CCC([NH+]3CC[C@]4(C3)CCC[N@H+](CC3CCC3)C4)CC2)cc1 ZINC000012318210 207288175 /nfs/dbraw/zinc/28/81/75/207288175.db2.gz BEKWYHCPSWYJFG-XMMPIXPASA-N 2 1 385.571 4.383 50 0 GIAAMP Fc1ccc(N2CCC([NH+]3CC[C@]4(C3)CCC[N@@H+](CC3CCC3)C4)CC2)cc1 ZINC000012318210 207288179 /nfs/dbraw/zinc/28/81/79/207288179.db2.gz BEKWYHCPSWYJFG-XMMPIXPASA-N 2 1 385.571 4.383 50 0 GIAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)CC1 ZINC000023153285 526411114 /nfs/dbraw/zinc/41/11/14/526411114.db2.gz YYHOCWSFGWTSMB-QHCPKHFHSA-N 2 1 397.538 4.114 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1C ZINC000040720383 570605430 /nfs/dbraw/zinc/60/54/30/570605430.db2.gz LHIZHVGJTXXXEP-UHFFFAOYSA-N 2 1 377.326 4.036 50 0 GIAAMP Cc1ccccc1C[NH2+]Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012303157 570637162 /nfs/dbraw/zinc/63/71/62/570637162.db2.gz UAXARCAQPDXBCZ-XMMPIXPASA-N 2 1 396.575 4.289 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cnn(-c4ccccc4F)c3)CC2)o1 ZINC000012372895 570648218 /nfs/dbraw/zinc/64/82/18/570648218.db2.gz YTOTYMZIRNPUHH-UHFFFAOYSA-N 2 1 396.510 4.257 50 0 GIAAMP COc1ccc(C(C)=O)cc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000058314008 570726750 /nfs/dbraw/zinc/72/67/50/570726750.db2.gz SJKDNUJLERLKNY-UHFFFAOYSA-N 2 1 380.532 4.242 50 0 GIAAMP COc1ccc(C(C)=O)cc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000058314008 570726753 /nfs/dbraw/zinc/72/67/53/570726753.db2.gz SJKDNUJLERLKNY-UHFFFAOYSA-N 2 1 380.532 4.242 50 0 GIAAMP Cc1nc2c(s1)[C@@H]([NH+]1CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)CCC2 ZINC000170602811 570861867 /nfs/dbraw/zinc/86/18/67/570861867.db2.gz BKPWTQHTQNDHHJ-YRNRMSPPSA-N 2 1 377.598 4.040 50 0 GIAAMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)cc1 ZINC000055053644 822935272 /nfs/dbraw/zinc/93/52/72/822935272.db2.gz YGPXMTOMLLOODW-RUZDIDTESA-N 2 1 391.559 4.442 50 0 GIAAMP CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)cc1 ZINC000055053644 822935277 /nfs/dbraw/zinc/93/52/77/822935277.db2.gz YGPXMTOMLLOODW-RUZDIDTESA-N 2 1 391.559 4.442 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cc1 ZINC000055053644 822935281 /nfs/dbraw/zinc/93/52/81/822935281.db2.gz YGPXMTOMLLOODW-RUZDIDTESA-N 2 1 391.559 4.442 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)cc1 ZINC000055053644 822935287 /nfs/dbraw/zinc/93/52/87/822935287.db2.gz YGPXMTOMLLOODW-RUZDIDTESA-N 2 1 391.559 4.442 50 0 GIAAMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)cc1 ZINC000055226575 822946897 /nfs/dbraw/zinc/94/68/97/822946897.db2.gz HIXGEQYBXFJUQN-VWLOTQADSA-N 2 1 391.559 4.176 50 0 GIAAMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)cc1 ZINC000055226575 822946899 /nfs/dbraw/zinc/94/68/99/822946899.db2.gz HIXGEQYBXFJUQN-VWLOTQADSA-N 2 1 391.559 4.176 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cc1 ZINC000055226575 822946902 /nfs/dbraw/zinc/94/69/02/822946902.db2.gz HIXGEQYBXFJUQN-VWLOTQADSA-N 2 1 391.559 4.176 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cc1 ZINC000055226575 822946903 /nfs/dbraw/zinc/94/69/03/822946903.db2.gz HIXGEQYBXFJUQN-VWLOTQADSA-N 2 1 391.559 4.176 50 0 GIAAMP Cc1c[nH+]c(C[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1Cc1ccc(F)cc1 ZINC000575317212 823953731 /nfs/dbraw/zinc/95/37/31/823953731.db2.gz DQUMNNZRTFLPLR-HXUWFJFHSA-N 2 1 378.495 4.229 50 0 GIAAMP Cc1c[nH+]c(C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1Cc1ccc(F)cc1 ZINC000575317212 823953739 /nfs/dbraw/zinc/95/37/39/823953739.db2.gz DQUMNNZRTFLPLR-HXUWFJFHSA-N 2 1 378.495 4.229 50 0 GIAAMP CC1(C)CC(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000014965809 207034932 /nfs/dbraw/zinc/03/49/32/207034932.db2.gz QRSIBIYEYDCZEF-FQEVSTJZSA-N 2 1 377.617 4.094 50 0 GIAAMP Cc1[nH+]ccn1Cc1cccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1 ZINC000096006899 208251114 /nfs/dbraw/zinc/25/11/14/208251114.db2.gz OIWFELPLHZGDAJ-UHFFFAOYSA-N 2 1 375.516 4.160 50 0 GIAAMP c1cnn(CCC[N@@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000011821326 570586215 /nfs/dbraw/zinc/58/62/15/570586215.db2.gz HZLIOGWZDDUZIM-QHCPKHFHSA-N 2 1 395.595 4.215 50 0 GIAAMP c1cnn(CCC[N@H+](Cc2cccnc2)C[C@@H]2CCC[NH+](C3CCCCC3)C2)c1 ZINC000011821326 570586217 /nfs/dbraw/zinc/58/62/17/570586217.db2.gz HZLIOGWZDDUZIM-QHCPKHFHSA-N 2 1 395.595 4.215 50 0 GIAAMP c1cnn(CCC[NH+](Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000011821326 570586219 /nfs/dbraw/zinc/58/62/19/570586219.db2.gz HZLIOGWZDDUZIM-QHCPKHFHSA-N 2 1 395.595 4.215 50 0 GIAAMP c1cnn(CCC[NH+](Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011821326 570586220 /nfs/dbraw/zinc/58/62/20/570586220.db2.gz HZLIOGWZDDUZIM-QHCPKHFHSA-N 2 1 395.595 4.215 50 0 GIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879910 570591063 /nfs/dbraw/zinc/59/10/63/570591063.db2.gz LLZAZGGWTAUFPP-QFIPXVFZSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879910 570591065 /nfs/dbraw/zinc/59/10/65/570591065.db2.gz LLZAZGGWTAUFPP-QFIPXVFZSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879910 570591070 /nfs/dbraw/zinc/59/10/70/570591070.db2.gz LLZAZGGWTAUFPP-QFIPXVFZSA-N 2 1 382.548 4.090 50 0 GIAAMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1Cl ZINC000058248638 570723244 /nfs/dbraw/zinc/72/32/44/570723244.db2.gz KZBJLMLJCSCULO-OAHLLOKOSA-N 2 1 393.984 4.043 50 0 GIAAMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012055073 570957150 /nfs/dbraw/zinc/95/71/50/570957150.db2.gz YZQDFEMCBPPWKU-DEOSSOPVSA-N 2 1 386.580 4.331 50 0 GIAAMP CCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000011663000 818106776 /nfs/dbraw/zinc/10/67/76/818106776.db2.gz FYVJTLWNCWLZCQ-NRFANRHFSA-N 2 1 384.543 4.489 50 0 GIAAMP Cc1ccccc1CC[NH+]1CCC(C[N@@H+](Cc2ncc[nH]2)C2CCCC2)CC1 ZINC000012316507 818154585 /nfs/dbraw/zinc/15/45/85/818154585.db2.gz FKCGIONKVLMFEH-UHFFFAOYSA-N 2 1 380.580 4.417 50 0 GIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)C[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000015065977 818286549 /nfs/dbraw/zinc/28/65/49/818286549.db2.gz WLHCCBDUKNXBSD-JOCHJYFZSA-N 2 1 388.596 4.087 50 0 GIAAMP Oc1cccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020202903 818616744 /nfs/dbraw/zinc/61/67/44/818616744.db2.gz FCCSUHWPGVMJLG-HSZRJFAPSA-N 2 1 399.623 4.335 50 0 GIAAMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)cc1 ZINC000055226582 822946954 /nfs/dbraw/zinc/94/69/54/822946954.db2.gz HIXGEQYBXFJUQN-RUZDIDTESA-N 2 1 391.559 4.176 50 0 GIAAMP CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)cc1 ZINC000055226582 822946955 /nfs/dbraw/zinc/94/69/55/822946955.db2.gz HIXGEQYBXFJUQN-RUZDIDTESA-N 2 1 391.559 4.176 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cc1 ZINC000055226582 822946958 /nfs/dbraw/zinc/94/69/58/822946958.db2.gz HIXGEQYBXFJUQN-RUZDIDTESA-N 2 1 391.559 4.176 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cc1 ZINC000055226582 822946960 /nfs/dbraw/zinc/94/69/60/822946960.db2.gz HIXGEQYBXFJUQN-RUZDIDTESA-N 2 1 391.559 4.176 50 0 GIAAMP CC[N@@H+](Cc1cccc2nonc21)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000014967316 207034776 /nfs/dbraw/zinc/03/47/76/207034776.db2.gz JCCVJOBEIRLUBF-LJQANCHMSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[N@H+](Cc1cccc2nonc21)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000014967316 207034778 /nfs/dbraw/zinc/03/47/78/207034778.db2.gz JCCVJOBEIRLUBF-LJQANCHMSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[NH+](Cc1cccc2nonc21)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000014967316 207034782 /nfs/dbraw/zinc/03/47/82/207034782.db2.gz JCCVJOBEIRLUBF-LJQANCHMSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[NH+](Cc1cccc2nonc21)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000014967316 207034786 /nfs/dbraw/zinc/03/47/86/207034786.db2.gz JCCVJOBEIRLUBF-LJQANCHMSA-N 2 1 396.510 4.139 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)CC2)o1 ZINC000014977764 207037239 /nfs/dbraw/zinc/03/72/39/207037239.db2.gz PBJCNQFMLGWULJ-UHFFFAOYSA-N 2 1 378.520 4.118 50 0 GIAAMP Cc1ccc(-n2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072480041 208033388 /nfs/dbraw/zinc/03/33/88/208033388.db2.gz DSFPUIOZUCJPMG-SZPZYZBQSA-N 2 1 386.543 4.150 50 0 GIAAMP Cc1ccc(-n2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072480041 208033394 /nfs/dbraw/zinc/03/33/94/208033394.db2.gz DSFPUIOZUCJPMG-SZPZYZBQSA-N 2 1 386.543 4.150 50 0 GIAAMP Cc1ccc(-n2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072480041 208033402 /nfs/dbraw/zinc/03/34/02/208033402.db2.gz DSFPUIOZUCJPMG-SZPZYZBQSA-N 2 1 386.543 4.150 50 0 GIAAMP Cc1ccc(-n2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072480041 208033409 /nfs/dbraw/zinc/03/34/09/208033409.db2.gz DSFPUIOZUCJPMG-SZPZYZBQSA-N 2 1 386.543 4.150 50 0 GIAAMP C[N@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCC[NH2+]C3)C1 ZINC000299762760 209083776 /nfs/dbraw/zinc/08/37/76/209083776.db2.gz AKIKUCUYSASDCP-MRXNPFEDSA-N 2 1 386.923 4.210 50 0 GIAAMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000191858373 570441799 /nfs/dbraw/zinc/44/17/99/570441799.db2.gz XJVSDCMEXSTBLQ-GIDFYXQGSA-N 2 1 376.544 4.264 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCc1ccccc1F ZINC000008254158 570526149 /nfs/dbraw/zinc/52/61/49/570526149.db2.gz SGVNEVKHTIFJPD-UHFFFAOYSA-N 2 1 380.891 4.156 50 0 GIAAMP COc1ccc(CC[N@H+](Cc2ccccc2OC)CC2CC[NH+](C)CC2)cc1 ZINC000012052294 570601705 /nfs/dbraw/zinc/60/17/05/570601705.db2.gz XOTJDLXPYPMLEQ-UHFFFAOYSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cccc(C(C)=O)c3)CC2)cc1 ZINC000012592634 570688288 /nfs/dbraw/zinc/68/82/88/570688288.db2.gz KQHKMSIBQOSMOY-UHFFFAOYSA-N 2 1 394.559 4.284 50 0 GIAAMP CCOc1cccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c1 ZINC000012753306 570709712 /nfs/dbraw/zinc/70/97/12/570709712.db2.gz SOWMNSHOGSALBR-UHFFFAOYSA-N 2 1 396.575 4.480 50 0 GIAAMP OCC[NH2+]CCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013732821 570783548 /nfs/dbraw/zinc/78/35/48/570783548.db2.gz OSWNDJMHWQYNCX-UHFFFAOYSA-N 2 1 398.934 4.134 50 0 GIAAMP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000013511876 570849676 /nfs/dbraw/zinc/84/96/76/570849676.db2.gz OBUCWJVKGWIGLC-RLSLOFABSA-N 2 1 396.575 4.482 50 0 GIAAMP Cc1cccc2cc(C[NH2+]Cc3ccsc3)c(N3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000012025441 818137091 /nfs/dbraw/zinc/13/70/91/818137091.db2.gz DMESBNPEETYOIH-OAQYLSRUSA-N 2 1 392.572 4.179 50 0 GIAAMP Cc1nn(C(C)C)c(C)c1C[N@H+](CCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000012429246 818158527 /nfs/dbraw/zinc/15/85/27/818158527.db2.gz FRRSNTOABUHAPZ-QHCPKHFHSA-N 2 1 382.596 4.467 50 0 GIAAMP Cc1nn(C(C)C)c(C)c1C[N@@H+](CCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000012429246 818158533 /nfs/dbraw/zinc/15/85/33/818158533.db2.gz FRRSNTOABUHAPZ-QHCPKHFHSA-N 2 1 382.596 4.467 50 0 GIAAMP Cc1nn(C(C)C)c(C)c1C[NH+](CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000012429246 818158536 /nfs/dbraw/zinc/15/85/36/818158536.db2.gz FRRSNTOABUHAPZ-QHCPKHFHSA-N 2 1 382.596 4.467 50 0 GIAAMP Cc1nn(C(C)C)c(C)c1C[NH+](CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000012429246 818158542 /nfs/dbraw/zinc/15/85/42/818158542.db2.gz FRRSNTOABUHAPZ-QHCPKHFHSA-N 2 1 382.596 4.467 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cnn(-c4cccc(F)c4)c3)CC2)o1 ZINC000012716130 818177538 /nfs/dbraw/zinc/17/75/38/818177538.db2.gz WULOZAHMYKOIKP-UHFFFAOYSA-N 2 1 396.510 4.257 50 0 GIAAMP C[N@@H+](C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000055153700 822941749 /nfs/dbraw/zinc/94/17/49/822941749.db2.gz RPJUHOSYHOZGPC-SFHVURJKSA-N 2 1 384.486 4.071 50 0 GIAAMP C[NH+](C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000055153700 822941751 /nfs/dbraw/zinc/94/17/51/822941751.db2.gz RPJUHOSYHOZGPC-SFHVURJKSA-N 2 1 384.486 4.071 50 0 GIAAMP C[NH+](C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000055153700 822941754 /nfs/dbraw/zinc/94/17/54/822941754.db2.gz RPJUHOSYHOZGPC-SFHVURJKSA-N 2 1 384.486 4.071 50 0 GIAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575550866 823976144 /nfs/dbraw/zinc/97/61/44/823976144.db2.gz YXLDCNJMSWCNOW-FQEVSTJZSA-N 2 1 378.520 4.024 50 0 GIAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575550866 823976153 /nfs/dbraw/zinc/97/61/53/823976153.db2.gz YXLDCNJMSWCNOW-FQEVSTJZSA-N 2 1 378.520 4.024 50 0 GIAAMP CC[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000014968654 207035271 /nfs/dbraw/zinc/03/52/71/207035271.db2.gz HYTXEDZJZZZLOV-JOCHJYFZSA-N 2 1 398.595 4.249 50 0 GIAAMP CC[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000014968654 207035275 /nfs/dbraw/zinc/03/52/75/207035275.db2.gz HYTXEDZJZZZLOV-JOCHJYFZSA-N 2 1 398.595 4.249 50 0 GIAAMP CC[NH+](Cc1cnn(C(C)C)c1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000014968654 207035280 /nfs/dbraw/zinc/03/52/80/207035280.db2.gz HYTXEDZJZZZLOV-JOCHJYFZSA-N 2 1 398.595 4.249 50 0 GIAAMP CC[NH+](Cc1cnn(C(C)C)c1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000014968654 207035284 /nfs/dbraw/zinc/03/52/84/207035284.db2.gz HYTXEDZJZZZLOV-JOCHJYFZSA-N 2 1 398.595 4.249 50 0 GIAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH+]2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511580 208214531 /nfs/dbraw/zinc/21/45/31/208214531.db2.gz JKLQISNSBUGCTA-JOCHJYFZSA-N 2 1 386.580 4.209 50 0 GIAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@@H+]2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511580 208214538 /nfs/dbraw/zinc/21/45/38/208214538.db2.gz JKLQISNSBUGCTA-JOCHJYFZSA-N 2 1 386.580 4.209 50 0 GIAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@H+]2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511580 208214543 /nfs/dbraw/zinc/21/45/43/208214543.db2.gz JKLQISNSBUGCTA-JOCHJYFZSA-N 2 1 386.580 4.209 50 0 GIAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCCCC23CC3)cc1 ZINC000095521799 208219304 /nfs/dbraw/zinc/21/93/04/208219304.db2.gz XASBORKELHCMQW-QHCPKHFHSA-N 2 1 394.559 4.077 50 0 GIAAMP C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(C[N@@H+]2CCCCC23CC3)cc1 ZINC000095521799 208219310 /nfs/dbraw/zinc/21/93/10/208219310.db2.gz XASBORKELHCMQW-QHCPKHFHSA-N 2 1 394.559 4.077 50 0 GIAAMP C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(C[N@H+]2CCCCC23CC3)cc1 ZINC000095521799 208219318 /nfs/dbraw/zinc/21/93/18/208219318.db2.gz XASBORKELHCMQW-QHCPKHFHSA-N 2 1 394.559 4.077 50 0 GIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(SC)nc3)CC2)C1 ZINC000096165474 208282463 /nfs/dbraw/zinc/28/24/63/208282463.db2.gz ITDUKSYVALDEBA-OAQYLSRUSA-N 2 1 396.604 4.290 50 0 GIAAMP C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)C[NH+](Cc1cccs1)CCO2 ZINC000299793338 209090740 /nfs/dbraw/zinc/09/07/40/209090740.db2.gz IRPRPARYOLJGHY-UHFFFAOYSA-N 2 1 393.556 4.212 50 0 GIAAMP C[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)C[NH+](Cc1cccs1)CCO2 ZINC000299793338 209090743 /nfs/dbraw/zinc/09/07/43/209090743.db2.gz IRPRPARYOLJGHY-UHFFFAOYSA-N 2 1 393.556 4.212 50 0 GIAAMP C[NH+](CCc1ccccn1)Cc1ccc2c(c1)C[N@@H+](Cc1cccs1)CCO2 ZINC000299793338 209090745 /nfs/dbraw/zinc/09/07/45/209090745.db2.gz IRPRPARYOLJGHY-UHFFFAOYSA-N 2 1 393.556 4.212 50 0 GIAAMP C[NH+](CCc1ccccn1)Cc1ccc2c(c1)C[N@H+](Cc1cccs1)CCO2 ZINC000299793338 209090746 /nfs/dbraw/zinc/09/07/46/209090746.db2.gz IRPRPARYOLJGHY-UHFFFAOYSA-N 2 1 393.556 4.212 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008377222 570530186 /nfs/dbraw/zinc/53/01/86/570530186.db2.gz JPVHAUXSZCMXHP-UHFFFAOYSA-N 2 1 383.319 4.280 50 0 GIAAMP COCC[NH+]1CCC(C[N@@H+](CC[C@@H](C)c2ccccc2)Cc2ccncc2)CC1 ZINC000012318532 570642256 /nfs/dbraw/zinc/64/22/56/570642256.db2.gz ZORVGRFUPVZVHL-JOCHJYFZSA-N 2 1 395.591 4.436 50 0 GIAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccccc3OC)C2)cc1 ZINC000055182675 570686197 /nfs/dbraw/zinc/68/61/97/570686197.db2.gz XCWSIAIDLSAODY-NRFANRHFSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccccc3OC)C2)cc1 ZINC000055182675 570686198 /nfs/dbraw/zinc/68/61/98/570686198.db2.gz XCWSIAIDLSAODY-NRFANRHFSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccccc3OC)C2)cc1 ZINC000055182675 570686201 /nfs/dbraw/zinc/68/62/01/570686201.db2.gz XCWSIAIDLSAODY-NRFANRHFSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccccc3OC)C2)cc1 ZINC000055182675 570686203 /nfs/dbraw/zinc/68/62/03/570686203.db2.gz XCWSIAIDLSAODY-NRFANRHFSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1cc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc1OC(F)F ZINC000007736202 571028592 /nfs/dbraw/zinc/02/85/92/571028592.db2.gz QCHVLWGKTANFAE-UHFFFAOYSA-N 2 1 390.474 4.093 50 0 GIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000011878269 818126372 /nfs/dbraw/zinc/12/63/72/818126372.db2.gz IWVCURSWBVAHAV-OAQYLSRUSA-N 2 1 397.563 4.026 50 0 GIAAMP Cc1ccccc1CC[NH+]1CCC(C[N@H+](Cc2cnn(C)c2)C2CCCC2)CC1 ZINC000014976975 818279676 /nfs/dbraw/zinc/27/96/76/818279676.db2.gz QODWJQLCFXVUDJ-UHFFFAOYSA-N 2 1 394.607 4.428 50 0 GIAAMP CC[N@@H+](Cc1cccc2nonc21)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000014967311 207034858 /nfs/dbraw/zinc/03/48/58/207034858.db2.gz JCCVJOBEIRLUBF-IBGZPJMESA-N 2 1 396.510 4.139 50 0 GIAAMP CC[N@H+](Cc1cccc2nonc21)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000014967311 207034859 /nfs/dbraw/zinc/03/48/59/207034859.db2.gz JCCVJOBEIRLUBF-IBGZPJMESA-N 2 1 396.510 4.139 50 0 GIAAMP CC[NH+](Cc1cccc2nonc21)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000014967311 207034863 /nfs/dbraw/zinc/03/48/63/207034863.db2.gz JCCVJOBEIRLUBF-IBGZPJMESA-N 2 1 396.510 4.139 50 0 GIAAMP CC[NH+](Cc1cccc2nonc21)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000014967311 207034867 /nfs/dbraw/zinc/03/48/67/207034867.db2.gz JCCVJOBEIRLUBF-IBGZPJMESA-N 2 1 396.510 4.139 50 0 GIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874999 207218334 /nfs/dbraw/zinc/21/83/34/207218334.db2.gz PYESKPYCRHCCCG-UHFFFAOYSA-N 2 1 376.928 4.277 50 0 GIAAMP C(=C/c1ccccc1)\C[NH+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000019636335 570536285 /nfs/dbraw/zinc/53/62/85/570536285.db2.gz HKQQIGWNXZWLLH-KPKJPENVSA-N 2 1 389.587 4.025 50 0 GIAAMP c1coc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011817353 570584890 /nfs/dbraw/zinc/58/48/90/570584890.db2.gz BCVYGLZFTXYOJY-VWLOTQADSA-N 2 1 394.559 4.140 50 0 GIAAMP COCC[NH+]1CCC(C[N@@H+](CC[C@H](C)c2ccccc2)Cc2ccncc2)CC1 ZINC000012318533 570642400 /nfs/dbraw/zinc/64/24/00/570642400.db2.gz ZORVGRFUPVZVHL-QFIPXVFZSA-N 2 1 395.591 4.436 50 0 GIAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCCc1ccccc1 ZINC000012432046 570660084 /nfs/dbraw/zinc/66/00/84/570660084.db2.gz ZOIYERAETUBWJX-UHFFFAOYSA-N 2 1 399.623 4.054 50 0 GIAAMP Cn1c2ccccc2nc1C[N@@H+](C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000067805462 570792246 /nfs/dbraw/zinc/79/22/46/570792246.db2.gz OUAHBQPIOHIAMJ-UHFFFAOYSA-N 2 1 394.538 4.099 50 0 GIAAMP Fc1ccccc1N1CCC([N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)CC1 ZINC000012315344 818154533 /nfs/dbraw/zinc/15/45/33/818154533.db2.gz BMBGMGWHGDHZBA-XMMPIXPASA-N 2 1 385.571 4.383 50 0 GIAAMP Fc1ccccc1N1CCC([NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)CC1 ZINC000012315344 818154537 /nfs/dbraw/zinc/15/45/37/818154537.db2.gz BMBGMGWHGDHZBA-XMMPIXPASA-N 2 1 385.571 4.383 50 0 GIAAMP Fc1ccccc1N1CCC([NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)CC1 ZINC000012315344 818154540 /nfs/dbraw/zinc/15/45/40/818154540.db2.gz BMBGMGWHGDHZBA-XMMPIXPASA-N 2 1 385.571 4.383 50 0 GIAAMP CC(C)CC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012752271 818181286 /nfs/dbraw/zinc/18/12/86/818181286.db2.gz PDTZBEIXUHRLPZ-NRFANRHFSA-N 2 1 377.617 4.002 50 0 GIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)C[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000015065978 818286616 /nfs/dbraw/zinc/28/66/16/818286616.db2.gz WLHCCBDUKNXBSD-QFIPXVFZSA-N 2 1 388.596 4.087 50 0 GIAAMP c1ccc(CC[NH+]2CCC(N3CC[N@H+]4CCC[C@H]4[C@H]3C3CCCCC3)CC2)cc1 ZINC000022078484 818769578 /nfs/dbraw/zinc/76/95/78/818769578.db2.gz UFVFYWFHQFROLA-IZZNHLLZSA-N 2 1 395.635 4.422 50 0 GIAAMP CCOc1cc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000014950148 207033463 /nfs/dbraw/zinc/03/34/63/207033463.db2.gz OWUJQCUXOOMYEP-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000014950148 207033468 /nfs/dbraw/zinc/03/34/68/207033468.db2.gz OWUJQCUXOOMYEP-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1cc(C[NH+](CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000014950148 207033470 /nfs/dbraw/zinc/03/34/70/207033470.db2.gz OWUJQCUXOOMYEP-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP COCC[N@@H+](CCCC(F)(F)F)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012298334 207286577 /nfs/dbraw/zinc/28/65/77/207286577.db2.gz SQVPPBUWLAWLQE-UHFFFAOYSA-N 2 1 390.465 4.329 50 0 GIAAMP COc1cccc([C@H](C[NH2+]C2CC[NH+](C)CC2)c2c[nH]c3ccccc32)c1OC ZINC000023881020 570333714 /nfs/dbraw/zinc/33/37/14/570333714.db2.gz QDZQHAWGXSNUFD-NRFANRHFSA-N 2 1 393.531 4.001 50 0 GIAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccccc2Cl)CC1 ZINC000011874913 570589992 /nfs/dbraw/zinc/58/99/92/570589992.db2.gz XDAVWOKJZFTCCI-UHFFFAOYSA-N 2 1 387.955 4.096 50 0 GIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccccc2Cl)CC1 ZINC000011874913 570589996 /nfs/dbraw/zinc/58/99/96/570589996.db2.gz XDAVWOKJZFTCCI-UHFFFAOYSA-N 2 1 387.955 4.096 50 0 GIAAMP Cc1cc(C)n(CCC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)n1 ZINC000011878453 570590394 /nfs/dbraw/zinc/59/03/94/570590394.db2.gz QCOXWDIPXPFLED-DEOSSOPVSA-N 2 1 380.580 4.187 50 0 GIAAMP Cc1cc(C)n(CCC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)n1 ZINC000011878453 570590397 /nfs/dbraw/zinc/59/03/97/570590397.db2.gz QCOXWDIPXPFLED-DEOSSOPVSA-N 2 1 380.580 4.187 50 0 GIAAMP Cc1cc(C)n(CCC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)n1 ZINC000011878453 570590401 /nfs/dbraw/zinc/59/04/01/570590401.db2.gz QCOXWDIPXPFLED-DEOSSOPVSA-N 2 1 380.580 4.187 50 0 GIAAMP COc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012054148 570601640 /nfs/dbraw/zinc/60/16/40/570601640.db2.gz WEWHKOOHXDPLAS-XMMPIXPASA-N 2 1 386.580 4.331 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1c(F)cccc1Cl ZINC000040720250 570604961 /nfs/dbraw/zinc/60/49/61/570604961.db2.gz IRQOTKHMCHBACZ-UHFFFAOYSA-N 2 1 394.918 4.498 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000040720614 570605490 /nfs/dbraw/zinc/60/54/90/570605490.db2.gz ODZMIGXKJLYIFR-UHFFFAOYSA-N 2 1 383.319 4.280 50 0 GIAAMP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004769656 570729952 /nfs/dbraw/zinc/72/99/52/570729952.db2.gz OBUCWJVKGWIGLC-FHAGJXEFSA-N 2 1 396.575 4.482 50 0 GIAAMP C[N@H+](Cc1ccc2nsnc2c1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000014948256 210131198 /nfs/dbraw/zinc/13/11/98/210131198.db2.gz HPBCDPQIHSHKQG-IBGZPJMESA-N 2 1 398.551 4.217 50 0 GIAAMP C[NH+](Cc1ccc2nsnc2c1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000014948256 210131204 /nfs/dbraw/zinc/13/12/04/210131204.db2.gz HPBCDPQIHSHKQG-IBGZPJMESA-N 2 1 398.551 4.217 50 0 GIAAMP C[NH+](Cc1ccc2nsnc2c1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000014948256 210131207 /nfs/dbraw/zinc/13/12/07/210131207.db2.gz HPBCDPQIHSHKQG-IBGZPJMESA-N 2 1 398.551 4.217 50 0 GIAAMP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3csc(NC)n3)CC2)C1 ZINC000096167127 211316884 /nfs/dbraw/zinc/31/68/84/211316884.db2.gz MEXLMRYPYHECIU-IBGZPJMESA-N 2 1 384.593 4.276 50 0 GIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3csc(NC)n3)CC2)C1 ZINC000096167127 211316886 /nfs/dbraw/zinc/31/68/86/211316886.db2.gz MEXLMRYPYHECIU-IBGZPJMESA-N 2 1 384.593 4.276 50 0 GIAAMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000095496766 211251294 /nfs/dbraw/zinc/25/12/94/211251294.db2.gz MIVLGDZTZMNKLL-UHFFFAOYSA-N 2 1 394.485 4.123 50 0 GIAAMP Cc1nc(C[N@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)c[nH]1 ZINC000095496766 211251301 /nfs/dbraw/zinc/25/13/01/211251301.db2.gz MIVLGDZTZMNKLL-UHFFFAOYSA-N 2 1 394.485 4.123 50 0 GIAAMP Cc1nc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)c[nH]1 ZINC000095496766 211251306 /nfs/dbraw/zinc/25/13/06/211251306.db2.gz MIVLGDZTZMNKLL-UHFFFAOYSA-N 2 1 394.485 4.123 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccncc2)C[C@H]2CCCO2)CC1 ZINC000095497838 211250776 /nfs/dbraw/zinc/25/07/76/211250776.db2.gz QLMSLHMFEXHBQC-RUZDIDTESA-N 2 1 393.575 4.283 50 0 GIAAMP c1cncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020910238 210368387 /nfs/dbraw/zinc/36/83/87/210368387.db2.gz SNRKJHSHNKLCLQ-QHCPKHFHSA-N 2 1 384.612 4.024 50 0 GIAAMP Cc1c(C[NH+]2CCC([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)cnn1C ZINC000020782375 210361052 /nfs/dbraw/zinc/36/10/52/210361052.db2.gz UKZODUDAJMGZNX-FQEVSTJZSA-N 2 1 386.971 4.116 50 0 GIAAMP Cc1cc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)on1 ZINC000072434217 136170166 /nfs/dbraw/zinc/17/01/66/136170166.db2.gz GCAMPKIQZQHMEW-UHFFFAOYSA-N 2 1 376.504 4.475 50 0 GIAAMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000248861805 570389882 /nfs/dbraw/zinc/38/98/82/570389882.db2.gz XJVSDCMEXSTBLQ-KEOOTSPTSA-N 2 1 376.544 4.264 50 0 GIAAMP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)C(C)(C)n1cncn1 ZINC000225409395 570570832 /nfs/dbraw/zinc/57/08/32/570570832.db2.gz QARTVKVHKBMBLR-OAQYLSRUSA-N 2 1 391.563 4.084 50 0 GIAAMP CC[N@@H+](Cc1ccc2nonc2c1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011814325 570583481 /nfs/dbraw/zinc/58/34/81/570583481.db2.gz HLPQRSGCGVFLHW-FQEVSTJZSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[N@H+](Cc1ccc2nonc2c1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011814325 570583482 /nfs/dbraw/zinc/58/34/82/570583482.db2.gz HLPQRSGCGVFLHW-FQEVSTJZSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[NH+](Cc1ccc2nonc2c1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011814325 570583486 /nfs/dbraw/zinc/58/34/86/570583486.db2.gz HLPQRSGCGVFLHW-FQEVSTJZSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[NH+](Cc1ccc2nonc2c1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011814325 570583491 /nfs/dbraw/zinc/58/34/91/570583491.db2.gz HLPQRSGCGVFLHW-FQEVSTJZSA-N 2 1 396.510 4.139 50 0 GIAAMP O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)s2)C1)NC1CC1 ZINC000012004720 570598279 /nfs/dbraw/zinc/59/82/79/570598279.db2.gz JJVRWNDRNICFFU-SFHVURJKSA-N 2 1 389.609 4.005 50 0 GIAAMP COc1ccc(CC[N@H+](Cc2ccc(OC)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000012072413 570604040 /nfs/dbraw/zinc/60/40/40/570604040.db2.gz SMOBPVCVMYBVBQ-UHFFFAOYSA-N 2 1 382.548 4.090 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCc1c(F)cccc1Cl ZINC000040720244 570604494 /nfs/dbraw/zinc/60/44/94/570604494.db2.gz JPWHAFNJKNNHIO-UHFFFAOYSA-N 2 1 380.891 4.156 50 0 GIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720569 570605470 /nfs/dbraw/zinc/60/54/70/570605470.db2.gz FBASMBIMTUCEBB-UHFFFAOYSA-N 2 1 376.928 4.277 50 0 GIAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1Cl ZINC000058248644 570723312 /nfs/dbraw/zinc/72/33/12/570723312.db2.gz KZBJLMLJCSCULO-HNNXBMFYSA-N 2 1 393.984 4.043 50 0 GIAAMP CCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000011662999 818106693 /nfs/dbraw/zinc/10/66/93/818106693.db2.gz FYVJTLWNCWLZCQ-OAQYLSRUSA-N 2 1 384.543 4.489 50 0 GIAAMP O=C(CCC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012574195 818167789 /nfs/dbraw/zinc/16/77/89/818167789.db2.gz GGHMTSCKQCCNKS-XMMPIXPASA-N 2 1 397.607 4.060 50 0 GIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3OC)CC2)cc1 ZINC000014956450 818278943 /nfs/dbraw/zinc/27/89/43/818278943.db2.gz DYLFLACBEFYESK-UHFFFAOYSA-N 2 1 382.548 4.090 50 0 GIAAMP Oc1cccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020202900 818616685 /nfs/dbraw/zinc/61/66/85/818616685.db2.gz FCCSUHWPGVMJLG-QHCPKHFHSA-N 2 1 399.623 4.335 50 0 GIAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000575317150 823953245 /nfs/dbraw/zinc/95/32/45/823953245.db2.gz CBORPPHIQDLEBG-GOSISDBHSA-N 2 1 395.469 4.311 50 0 GIAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000575317150 823953255 /nfs/dbraw/zinc/95/32/55/823953255.db2.gz CBORPPHIQDLEBG-GOSISDBHSA-N 2 1 395.469 4.311 50 0 GIAAMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cc1OC ZINC000014974268 210137797 /nfs/dbraw/zinc/13/77/97/210137797.db2.gz RDXPVGPRONDETI-JOCHJYFZSA-N 2 1 396.575 4.399 50 0 GIAAMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cc1OC ZINC000014974268 210137803 /nfs/dbraw/zinc/13/78/03/210137803.db2.gz RDXPVGPRONDETI-JOCHJYFZSA-N 2 1 396.575 4.399 50 0 GIAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1OC ZINC000014974268 210137805 /nfs/dbraw/zinc/13/78/05/210137805.db2.gz RDXPVGPRONDETI-JOCHJYFZSA-N 2 1 396.575 4.399 50 0 GIAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1OC ZINC000014974268 210137810 /nfs/dbraw/zinc/13/78/10/210137810.db2.gz RDXPVGPRONDETI-JOCHJYFZSA-N 2 1 396.575 4.399 50 0 GIAAMP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3c(F)cccc3F)CC2)cc1 ZINC000014967995 210136565 /nfs/dbraw/zinc/13/65/65/210136565.db2.gz PQSBRXAMPHNEGL-UHFFFAOYSA-N 2 1 388.502 4.360 50 0 GIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3c(F)cccc3F)CC2)cc1 ZINC000014967995 210136570 /nfs/dbraw/zinc/13/65/70/210136570.db2.gz PQSBRXAMPHNEGL-UHFFFAOYSA-N 2 1 388.502 4.360 50 0 GIAAMP Cc1[nH+]ccc(N2CC[NH+](C)CC2)c1Oc1ncc(C(F)(F)F)cc1Cl ZINC000001401429 209326043 /nfs/dbraw/zinc/32/60/43/209326043.db2.gz FJMACWQDKRIOGF-UHFFFAOYSA-N 2 1 386.805 4.001 50 0 GIAAMP Cc1cccc2c(C[N@H+]3CCOC[C@H](C[NH+](C)C)C3)c(-c3ccccc3)[nH]c21 ZINC000072148768 211076177 /nfs/dbraw/zinc/07/61/77/211076177.db2.gz SMFDXQWTNREWLM-LJQANCHMSA-N 2 1 377.532 4.153 50 0 GIAAMP Cc1cccc2c(C[N@@H+]3CCOC[C@H](C[NH+](C)C)C3)c(-c3ccccc3)[nH]c21 ZINC000072148768 211076181 /nfs/dbraw/zinc/07/61/81/211076181.db2.gz SMFDXQWTNREWLM-LJQANCHMSA-N 2 1 377.532 4.153 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874652 210365760 /nfs/dbraw/zinc/36/57/60/210365760.db2.gz HZXQMPQTRSEDGK-UHFFFAOYSA-N 2 1 377.326 4.036 50 0 GIAAMP CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000020780762 210360493 /nfs/dbraw/zinc/36/04/93/210360493.db2.gz ZPEFDRZWHSMTCH-NRFANRHFSA-N 2 1 398.620 4.225 50 0 GIAAMP CC[N@@H+](Cc1ccccc1OC)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011700706 570580114 /nfs/dbraw/zinc/58/01/14/570580114.db2.gz GCUMGXTWNISIRR-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[N@H+](Cc1ccccc1OC)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011700706 570580116 /nfs/dbraw/zinc/58/01/16/570580116.db2.gz GCUMGXTWNISIRR-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1ccccc1OC)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011700706 570580118 /nfs/dbraw/zinc/58/01/18/570580118.db2.gz GCUMGXTWNISIRR-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1ccccc1OC)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011700706 570580120 /nfs/dbraw/zinc/58/01/20/570580120.db2.gz GCUMGXTWNISIRR-JOCHJYFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)cc1 ZINC000012717652 570704947 /nfs/dbraw/zinc/70/49/47/570704947.db2.gz YOXLLRMJHDSRIG-UHFFFAOYSA-N 2 1 396.575 4.480 50 0 GIAAMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012055075 570957245 /nfs/dbraw/zinc/95/72/45/570957245.db2.gz YZQDFEMCBPPWKU-XMMPIXPASA-N 2 1 386.580 4.331 50 0 GIAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnc(C)[nH]2)CC(C)C)CC1 ZINC000015065969 210148380 /nfs/dbraw/zinc/14/83/80/210148380.db2.gz CVQIVHYVFXLLBQ-UHFFFAOYSA-N 2 1 384.568 4.097 50 0 GIAAMP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2c[nH]c(C)n2)CC(C)C)CC1 ZINC000015065969 210148385 /nfs/dbraw/zinc/14/83/85/210148385.db2.gz CVQIVHYVFXLLBQ-UHFFFAOYSA-N 2 1 384.568 4.097 50 0 GIAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2c[nH]c(C)n2)CC(C)C)CC1 ZINC000015065969 210148389 /nfs/dbraw/zinc/14/83/89/210148389.db2.gz CVQIVHYVFXLLBQ-UHFFFAOYSA-N 2 1 384.568 4.097 50 0 GIAAMP C[N@@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C[C@H]1CCOC(C)(C)C1 ZINC000014964577 210135599 /nfs/dbraw/zinc/13/55/99/210135599.db2.gz YOPUQFPHVIAKLZ-NRFANRHFSA-N 2 1 376.560 4.217 50 0 GIAAMP Cc1cccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000020910545 210368968 /nfs/dbraw/zinc/36/89/68/210368968.db2.gz PJQQKJZWRNQLII-QHCPKHFHSA-N 2 1 398.639 4.333 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874917 210364394 /nfs/dbraw/zinc/36/43/94/210364394.db2.gz TYTGSNQSJSOWMJ-UHFFFAOYSA-N 2 1 376.928 4.325 50 0 GIAAMP Clc1cccc(C[NH+]2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000019888972 210304662 /nfs/dbraw/zinc/30/46/62/210304662.db2.gz IKBIUFSHOGLTSY-UHFFFAOYSA-N 2 1 383.967 4.122 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)C[C@@H]2CCOC2)CC1 ZINC000012449021 570418804 /nfs/dbraw/zinc/41/88/04/570418804.db2.gz BGENJWYPYQMFEZ-DEOSSOPVSA-N 2 1 393.575 4.141 50 0 GIAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnn(C)c2C)CC(C)C)CC1 ZINC000011816144 570584260 /nfs/dbraw/zinc/58/42/60/570584260.db2.gz YBPOWDZPWDNUHV-UHFFFAOYSA-N 2 1 398.595 4.107 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000040720374 570605291 /nfs/dbraw/zinc/60/52/91/570605291.db2.gz IAKDJKMIAYSOCT-UHFFFAOYSA-N 2 1 377.326 4.036 50 0 GIAAMP COCc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012612547 570690648 /nfs/dbraw/zinc/69/06/48/570690648.db2.gz UXFJPVZJYIKFBQ-NRFANRHFSA-N 2 1 390.568 4.062 50 0 GIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000057263068 570701615 /nfs/dbraw/zinc/70/16/15/570701615.db2.gz BMHCRHJBQUMGFD-UHFFFAOYSA-N 2 1 380.891 4.108 50 0 GIAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2cccc(F)c2F)CC1 ZINC000012431512 818158905 /nfs/dbraw/zinc/15/89/05/818158905.db2.gz GOAPWPVXQGLOTM-UHFFFAOYSA-N 2 1 388.502 4.360 50 0 GIAAMP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012587871 818168462 /nfs/dbraw/zinc/16/84/62/818168462.db2.gz POYCNIFPBFQXEL-NRFANRHFSA-N 2 1 382.523 4.147 50 0 GIAAMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012587871 818168468 /nfs/dbraw/zinc/16/84/68/818168468.db2.gz POYCNIFPBFQXEL-NRFANRHFSA-N 2 1 382.523 4.147 50 0 GIAAMP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012587871 818168472 /nfs/dbraw/zinc/16/84/72/818168472.db2.gz POYCNIFPBFQXEL-NRFANRHFSA-N 2 1 382.523 4.147 50 0 GIAAMP c1cc([C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)nc(SCC[NH+]2CCCC2)n1 ZINC000014958798 818278954 /nfs/dbraw/zinc/27/89/54/818278954.db2.gz SPRVECQWUVNPFJ-VQTJNVASSA-N 2 1 386.609 4.200 50 0 GIAAMP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CSCCSC4)C3)C2)c1 ZINC000015073146 818287704 /nfs/dbraw/zinc/28/77/04/818287704.db2.gz UUXVAYZRCVOPFK-OAQYLSRUSA-N 2 1 376.635 4.132 50 0 GIAAMP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CSCCSC4)C3)C2)c1 ZINC000015073146 818287713 /nfs/dbraw/zinc/28/77/13/818287713.db2.gz UUXVAYZRCVOPFK-OAQYLSRUSA-N 2 1 376.635 4.132 50 0 GIAAMP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CSCCSC4)C3)C2)c1 ZINC000015073146 818287719 /nfs/dbraw/zinc/28/77/19/818287719.db2.gz UUXVAYZRCVOPFK-OAQYLSRUSA-N 2 1 376.635 4.132 50 0 GIAAMP CCc1nc(C)c(C[N@@H+](CC)CC2CC[NH+](CCc3ccccc3C)CC2)[nH]1 ZINC000015069466 818287762 /nfs/dbraw/zinc/28/77/62/818287762.db2.gz JBWHBMBNQPXAED-UHFFFAOYSA-N 2 1 382.596 4.366 50 0 GIAAMP CCOc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](CCc2ccc(OC)cc2)C1 ZINC000055227856 212059419 /nfs/dbraw/zinc/05/94/19/212059419.db2.gz VLVSGKXHLHTPJU-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](CCc2ccc(OC)cc2)C1 ZINC000055227856 212059423 /nfs/dbraw/zinc/05/94/23/212059423.db2.gz VLVSGKXHLHTPJU-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000055227856 212059427 /nfs/dbraw/zinc/05/94/27/212059427.db2.gz VLVSGKXHLHTPJU-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000055227856 212059430 /nfs/dbraw/zinc/05/94/30/212059430.db2.gz VLVSGKXHLHTPJU-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3csc(NC)n3)CC2)C1 ZINC000096167126 211315561 /nfs/dbraw/zinc/31/55/61/211315561.db2.gz MEXLMRYPYHECIU-LJQANCHMSA-N 2 1 384.593 4.276 50 0 GIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3csc(NC)n3)CC2)C1 ZINC000096167126 211315564 /nfs/dbraw/zinc/31/55/64/211315564.db2.gz MEXLMRYPYHECIU-LJQANCHMSA-N 2 1 384.593 4.276 50 0 GIAAMP C[N@@H+]1CCCN(c2ncccc2CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000067741356 211019821 /nfs/dbraw/zinc/01/98/21/211019821.db2.gz DQWJNNRPXNJCKD-UHFFFAOYSA-N 2 1 381.911 4.037 50 0 GIAAMP C[N@H+]1CCCN(c2ncccc2CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000067741356 211019824 /nfs/dbraw/zinc/01/98/24/211019824.db2.gz DQWJNNRPXNJCKD-UHFFFAOYSA-N 2 1 381.911 4.037 50 0 GIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cc(C)c(O)c(C)c3)CC2)cc1 ZINC000011839600 221130666 /nfs/dbraw/zinc/13/06/66/221130666.db2.gz NSNBGPVEKOUUOO-UHFFFAOYSA-N 2 1 396.575 4.404 50 0 GIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccccc1C ZINC000040720577 570605477 /nfs/dbraw/zinc/60/54/77/570605477.db2.gz OHYSJRKNTNWPPB-UHFFFAOYSA-N 2 1 376.928 4.277 50 0 GIAAMP CCCn1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)c(C)n1 ZINC000012203346 570625020 /nfs/dbraw/zinc/62/50/20/570625020.db2.gz TWZQAQKQPXMLRB-UHFFFAOYSA-N 2 1 386.559 4.127 50 0 GIAAMP CCn1cc(C[N@@H+](CC(C)C)CC2CC[NH+](Cc3ccccc3OC)CC2)cn1 ZINC000011879613 818127062 /nfs/dbraw/zinc/12/70/62/818127062.db2.gz OSSJRIVNYNARAU-UHFFFAOYSA-N 2 1 398.595 4.282 50 0 GIAAMP COCC[N@H+](Cc1cccc(C)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014968145 818279771 /nfs/dbraw/zinc/27/97/71/818279771.db2.gz NRGZHOLXFIQLST-UHFFFAOYSA-N 2 1 396.575 4.364 50 0 GIAAMP COc1cccc(C[N@@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3C3CCOCC3)C2)c1 ZINC000575547751 823976350 /nfs/dbraw/zinc/97/63/50/823976350.db2.gz VFTHUADGSCOJDW-HXUWFJFHSA-N 2 1 383.536 4.006 50 0 GIAAMP COc1cccc(C[N@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3C3CCOCC3)C2)c1 ZINC000575547751 823976358 /nfs/dbraw/zinc/97/63/58/823976358.db2.gz VFTHUADGSCOJDW-HXUWFJFHSA-N 2 1 383.536 4.006 50 0 GIAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCCCC23CC3)cc1 ZINC000095521800 211267155 /nfs/dbraw/zinc/26/71/55/211267155.db2.gz XASBORKELHCMQW-HSZRJFAPSA-N 2 1 394.559 4.077 50 0 GIAAMP C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@@H+]2CCCCC23CC3)cc1 ZINC000095521800 211267160 /nfs/dbraw/zinc/26/71/60/211267160.db2.gz XASBORKELHCMQW-HSZRJFAPSA-N 2 1 394.559 4.077 50 0 GIAAMP C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@H+]2CCCCC23CC3)cc1 ZINC000095521800 211267167 /nfs/dbraw/zinc/26/71/67/211267167.db2.gz XASBORKELHCMQW-HSZRJFAPSA-N 2 1 394.559 4.077 50 0 GIAAMP c1ccc([C@@H]2C[N@H+](C3CC3)CC3(CC[NH+](CCc4ccccn4)CC3)C2)cc1 ZINC000095388213 211235735 /nfs/dbraw/zinc/23/57/35/211235735.db2.gz BEPQNURMHGLHJM-QFIPXVFZSA-N 2 1 375.560 4.358 50 0 GIAAMP c1ccc2sc(N3CCC[NH+](C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)CC3)nc2c1 ZINC000072171722 211081820 /nfs/dbraw/zinc/08/18/20/211081820.db2.gz PGZZAWJCSDYGBK-AZUAARDMSA-N 2 1 384.593 4.073 50 0 GIAAMP c1ccc2sc(N3CCC[NH+](C[C@@H]4CCC[N@H+]5CCCC[C@H]45)CC3)nc2c1 ZINC000072171722 211081826 /nfs/dbraw/zinc/08/18/26/211081826.db2.gz PGZZAWJCSDYGBK-AZUAARDMSA-N 2 1 384.593 4.073 50 0 GIAAMP c1ccc2sc(N3CCC[N@@H+](C[C@@H]4CCC[NH+]5CCCC[C@H]45)CC3)nc2c1 ZINC000072171722 211081828 /nfs/dbraw/zinc/08/18/28/211081828.db2.gz PGZZAWJCSDYGBK-AZUAARDMSA-N 2 1 384.593 4.073 50 0 GIAAMP c1ccc2sc(N3CCC[N@H+](C[C@@H]4CCC[NH+]5CCCC[C@H]45)CC3)nc2c1 ZINC000072171722 211081834 /nfs/dbraw/zinc/08/18/34/211081834.db2.gz PGZZAWJCSDYGBK-AZUAARDMSA-N 2 1 384.593 4.073 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCc1ccc(F)cc1Cl ZINC000040720228 210791034 /nfs/dbraw/zinc/79/10/34/210791034.db2.gz HLZFXDMJZHPXBL-UHFFFAOYSA-N 2 1 380.891 4.156 50 0 GIAAMP CCn1ccnc1C[N@H+]1CCCC12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000072475702 136171238 /nfs/dbraw/zinc/17/12/38/136171238.db2.gz LDMDQWPJCIKXAS-UHFFFAOYSA-N 2 1 389.547 4.395 50 0 GIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000012317699 570641980 /nfs/dbraw/zinc/64/19/80/570641980.db2.gz FKJFKRVRDQUGEO-QHCPKHFHSA-N 2 1 399.498 4.265 50 0 GIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000012317699 570641982 /nfs/dbraw/zinc/64/19/82/570641982.db2.gz FKJFKRVRDQUGEO-QHCPKHFHSA-N 2 1 399.498 4.265 50 0 GIAAMP COCC[N@H+](Cc1ccc(F)cc1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012713579 570703359 /nfs/dbraw/zinc/70/33/59/570703359.db2.gz JELQBJGXSHDOLB-UHFFFAOYSA-N 2 1 388.502 4.325 50 0 GIAAMP CC[N@H+](Cc1cccc(OC)c1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012725562 570706712 /nfs/dbraw/zinc/70/67/12/570706712.db2.gz ZNPMHSTYZDDRHR-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1cccc(OC)c1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012725562 570706714 /nfs/dbraw/zinc/70/67/14/570706714.db2.gz ZNPMHSTYZDDRHR-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1cccc(OC)c1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012725562 570706716 /nfs/dbraw/zinc/70/67/16/570706716.db2.gz ZNPMHSTYZDDRHR-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000170072060 570801379 /nfs/dbraw/zinc/80/13/79/570801379.db2.gz XJVSDCMEXSTBLQ-ARXROMJUSA-N 2 1 376.544 4.264 50 0 GIAAMP C[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076862 818140554 /nfs/dbraw/zinc/14/05/54/818140554.db2.gz IVQJOOUFQPXZJG-HXUWFJFHSA-N 2 1 391.481 4.487 50 0 GIAAMP C[N@H+](Cc1cccnc1)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076862 818140563 /nfs/dbraw/zinc/14/05/63/818140563.db2.gz IVQJOOUFQPXZJG-HXUWFJFHSA-N 2 1 391.481 4.487 50 0 GIAAMP C[NH+](Cc1cccnc1)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076862 818140569 /nfs/dbraw/zinc/14/05/69/818140569.db2.gz IVQJOOUFQPXZJG-HXUWFJFHSA-N 2 1 391.481 4.487 50 0 GIAAMP C[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012076862 818140572 /nfs/dbraw/zinc/14/05/72/818140572.db2.gz IVQJOOUFQPXZJG-HXUWFJFHSA-N 2 1 391.481 4.487 50 0 GIAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575550874 823976104 /nfs/dbraw/zinc/97/61/04/823976104.db2.gz YXLDCNJMSWCNOW-HXUWFJFHSA-N 2 1 378.520 4.024 50 0 GIAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575550874 823976114 /nfs/dbraw/zinc/97/61/14/823976114.db2.gz YXLDCNJMSWCNOW-HXUWFJFHSA-N 2 1 378.520 4.024 50 0 GIAAMP CN1CCC[N@@H+](Cc2cccc3c4ccccc4oc32)CC12CC[NH+](C)CC2 ZINC000067850642 211024513 /nfs/dbraw/zinc/02/45/13/211024513.db2.gz DMNUCDRQLAYHIF-UHFFFAOYSA-N 2 1 377.532 4.188 50 0 GIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cccc(OC)c3)CC2)cc1 ZINC000011838708 221130501 /nfs/dbraw/zinc/13/05/01/221130501.db2.gz FSQLWRZCVOMKNM-UHFFFAOYSA-N 2 1 382.548 4.090 50 0 GIAAMP Cc1nn(C)cc1C[N@H+]1CCCC12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000072477944 136171334 /nfs/dbraw/zinc/17/13/34/136171334.db2.gz YTEWGSCDTHGWPD-UHFFFAOYSA-N 2 1 389.547 4.220 50 0 GIAAMP CCn1cc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cn1 ZINC000072432169 536051252 /nfs/dbraw/zinc/05/12/52/536051252.db2.gz VJGADNDWZDPWFO-UHFFFAOYSA-N 2 1 389.547 4.395 50 0 GIAAMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000048251797 570226989 /nfs/dbraw/zinc/22/69/89/570226989.db2.gz PXVUKTWAFQIOLO-UHFFFAOYSA-N 2 1 383.540 4.051 50 0 GIAAMP CCCCc1ncc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)[nH]1 ZINC000011819394 570585391 /nfs/dbraw/zinc/58/53/91/570585391.db2.gz LSRBOTMIPWISAT-UHFFFAOYSA-N 2 1 386.559 4.278 50 0 GIAAMP CCCCc1nc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c[nH]1 ZINC000011819394 570585395 /nfs/dbraw/zinc/58/53/95/570585395.db2.gz LSRBOTMIPWISAT-UHFFFAOYSA-N 2 1 386.559 4.278 50 0 GIAAMP CCCCc1nc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c[nH]1 ZINC000011819394 570585398 /nfs/dbraw/zinc/58/53/98/570585398.db2.gz LSRBOTMIPWISAT-UHFFFAOYSA-N 2 1 386.559 4.278 50 0 GIAAMP COCC[N@H+](Cc1cccs1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000055243298 570688400 /nfs/dbraw/zinc/68/84/00/570688400.db2.gz YXRUYUCNYMXTJN-UHFFFAOYSA-N 2 1 376.541 4.248 50 0 GIAAMP COc1cccc2[nH]cc(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c21 ZINC000157098680 570700559 /nfs/dbraw/zinc/70/05/59/570700559.db2.gz WDHLDWMPNARNTA-UHFFFAOYSA-N 2 1 377.532 4.016 50 0 GIAAMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)C[NH+](C1CCCC1)C2 ZINC000065239007 570744146 /nfs/dbraw/zinc/74/41/46/570744146.db2.gz UGTKQLRVASOEQY-INIZCTEOSA-N 2 1 375.582 4.001 50 0 GIAAMP C[C@H]1CCCC[NH+]1CCCNC(=O)c1cc2c(s1)C[N@@H+](C1CCCC1)C2 ZINC000065239007 570744151 /nfs/dbraw/zinc/74/41/51/570744151.db2.gz UGTKQLRVASOEQY-INIZCTEOSA-N 2 1 375.582 4.001 50 0 GIAAMP C[C@H]1CCCC[NH+]1CCCNC(=O)c1cc2c(s1)C[N@H+](C1CCCC1)C2 ZINC000065239007 570744154 /nfs/dbraw/zinc/74/41/54/570744154.db2.gz UGTKQLRVASOEQY-INIZCTEOSA-N 2 1 375.582 4.001 50 0 GIAAMP CC[N@H+](Cc1ccc2cccc(F)c2n1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012308440 818153818 /nfs/dbraw/zinc/15/38/18/818153818.db2.gz YMNUAJKRHGVYJG-UHFFFAOYSA-N 2 1 398.570 4.002 50 0 GIAAMP CC[N@@H+](Cc1ccc2cccc(F)c2n1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012308440 818153822 /nfs/dbraw/zinc/15/38/22/818153822.db2.gz YMNUAJKRHGVYJG-UHFFFAOYSA-N 3 1 398.570 4.002 50 0 GIAAMP CC[N@H+](Cc1ccc2cccc(F)c2n1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012308440 818153828 /nfs/dbraw/zinc/15/38/28/818153828.db2.gz YMNUAJKRHGVYJG-UHFFFAOYSA-N 3 1 398.570 4.002 50 0 GIAAMP Cc1cccc(C[NH+]2CCC(Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000575553391 823976957 /nfs/dbraw/zinc/97/69/57/823976957.db2.gz YBTPXPGLUXLYSF-UHFFFAOYSA-N 2 1 378.560 4.282 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2nccs2)C[C@@H]2CCCO2)CC1 ZINC000095525416 211268949 /nfs/dbraw/zinc/26/89/49/211268949.db2.gz REOPMQBKQYPSMO-QFIPXVFZSA-N 2 1 399.604 4.345 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2nccs2)C[C@@H]2CCCO2)CC1 ZINC000095525416 211268953 /nfs/dbraw/zinc/26/89/53/211268953.db2.gz REOPMQBKQYPSMO-QFIPXVFZSA-N 2 1 399.604 4.345 50 0 GIAAMP CC(C)n1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000067895045 211028169 /nfs/dbraw/zinc/02/81/69/211028169.db2.gz OYBVDOOPRWBENU-QHCPKHFHSA-N 2 1 388.600 4.100 50 0 GIAAMP CCn1c(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)nc2ccccc21 ZINC000011819840 221129955 /nfs/dbraw/zinc/12/99/55/221129955.db2.gz XJADJELTDSDXIE-UHFFFAOYSA-N 2 1 380.536 4.302 50 0 GIAAMP C/C=C(\C)C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011934831 221138530 /nfs/dbraw/zinc/13/85/30/221138530.db2.gz JIMSUIGMIDNZQY-ORTAHOAGSA-N 2 1 382.592 4.313 50 0 GIAAMP Cc1ccc2[nH+]ccc(N3CCC[C@H](c4[nH+]ccn4CCC[NH+](C)C)C3)c2c1 ZINC000095498225 136179797 /nfs/dbraw/zinc/17/97/97/136179797.db2.gz UQSLTYKVZNEYPQ-IBGZPJMESA-N 3 1 377.536 4.075 50 0 GIAAMP Fc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000058165458 570377519 /nfs/dbraw/zinc/37/75/19/570377519.db2.gz ZNUWZQAOJBHMHM-UHFFFAOYSA-N 2 1 377.301 4.342 50 0 GIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662019 570577023 /nfs/dbraw/zinc/57/70/23/570577023.db2.gz PYLLKFZVPVVKEW-JOCHJYFZSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662019 570577026 /nfs/dbraw/zinc/57/70/26/570577026.db2.gz PYLLKFZVPVVKEW-JOCHJYFZSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662019 570577029 /nfs/dbraw/zinc/57/70/29/570577029.db2.gz PYLLKFZVPVVKEW-JOCHJYFZSA-N 2 1 382.548 4.090 50 0 GIAAMP C[N@H+](Cc1cccc(F)c1F)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012298426 570634958 /nfs/dbraw/zinc/63/49/58/570634958.db2.gz XHPALAHFTVJXCJ-UHFFFAOYSA-N 2 1 376.466 4.490 50 0 GIAAMP CC[N@H+](Cc1cccc(SC)c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012387501 570651953 /nfs/dbraw/zinc/65/19/53/570651953.db2.gz VVCBUPCREJUFDB-UHFFFAOYSA-N 2 1 375.626 4.037 50 0 GIAAMP CC[N@@H+](Cc1cccc(SC)c1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012387501 570651955 /nfs/dbraw/zinc/65/19/55/570651955.db2.gz VVCBUPCREJUFDB-UHFFFAOYSA-N 3 1 375.626 4.037 50 0 GIAAMP CC[N@H+](Cc1cccc(SC)c1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012387501 570651956 /nfs/dbraw/zinc/65/19/56/570651956.db2.gz VVCBUPCREJUFDB-UHFFFAOYSA-N 3 1 375.626 4.037 50 0 GIAAMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3OC)C2)cc1 ZINC000012457527 570669745 /nfs/dbraw/zinc/66/97/45/570669745.db2.gz GTDXNKFENBFSPG-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000012457527 570669746 /nfs/dbraw/zinc/66/97/46/570669746.db2.gz GTDXNKFENBFSPG-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000012457527 570669749 /nfs/dbraw/zinc/66/97/49/570669749.db2.gz GTDXNKFENBFSPG-QFIPXVFZSA-N 2 1 396.575 4.480 50 0 GIAAMP O=C(C1=CCCC1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012574309 570682060 /nfs/dbraw/zinc/68/20/60/570682060.db2.gz DVLAEVFONRUNEH-NRFANRHFSA-N 2 1 387.612 4.066 50 0 GIAAMP CCOc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)c1 ZINC000055228089 570688415 /nfs/dbraw/zinc/68/84/15/570688415.db2.gz AULWIBKLWNFNDA-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)c1 ZINC000055228089 570688416 /nfs/dbraw/zinc/68/84/16/570688416.db2.gz AULWIBKLWNFNDA-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c1 ZINC000055228089 570688417 /nfs/dbraw/zinc/68/84/17/570688417.db2.gz AULWIBKLWNFNDA-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004769658 570729832 /nfs/dbraw/zinc/72/98/32/570729832.db2.gz OBUCWJVKGWIGLC-RNHFSVANSA-N 2 1 396.575 4.482 50 0 GIAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCCCC1 ZINC000012430865 818158711 /nfs/dbraw/zinc/15/87/11/818158711.db2.gz WCBJMZIHKIGWPX-HSZRJFAPSA-N 2 1 397.607 4.156 50 0 GIAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCCCC1 ZINC000012430865 818158718 /nfs/dbraw/zinc/15/87/18/818158718.db2.gz WCBJMZIHKIGWPX-HSZRJFAPSA-N 2 1 397.607 4.156 50 0 GIAAMP Cc1nn(C(C)C)c(C)c1C[N@H+](CCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000012429245 818158793 /nfs/dbraw/zinc/15/87/93/818158793.db2.gz FRRSNTOABUHAPZ-HSZRJFAPSA-N 2 1 382.596 4.467 50 0 GIAAMP Cc1nn(C(C)C)c(C)c1C[N@@H+](CCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000012429245 818158796 /nfs/dbraw/zinc/15/87/96/818158796.db2.gz FRRSNTOABUHAPZ-HSZRJFAPSA-N 2 1 382.596 4.467 50 0 GIAAMP Cc1nn(C(C)C)c(C)c1C[NH+](CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000012429245 818158800 /nfs/dbraw/zinc/15/88/00/818158800.db2.gz FRRSNTOABUHAPZ-HSZRJFAPSA-N 2 1 382.596 4.467 50 0 GIAAMP Cc1nn(C(C)C)c(C)c1C[NH+](CCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000012429245 818158808 /nfs/dbraw/zinc/15/88/08/818158808.db2.gz FRRSNTOABUHAPZ-HSZRJFAPSA-N 2 1 382.596 4.467 50 0 GIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2cc3ccccc3o2)Cc2ccncc2)CC1 ZINC000012448826 818160967 /nfs/dbraw/zinc/16/09/67/818160967.db2.gz BOSXQWRQFNCLHD-UHFFFAOYSA-N 2 1 393.531 4.188 50 0 GIAAMP COc1ccccc1-c1csc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000191513003 823694042 /nfs/dbraw/zinc/69/40/42/823694042.db2.gz JQAOFKWBJAWPCH-GOSISDBHSA-N 2 1 385.577 4.482 50 0 GIAAMP CC(=O)Nc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cc1 ZINC000014975668 210137896 /nfs/dbraw/zinc/13/78/96/210137896.db2.gz RKSDVDMDUOHFCA-QHCPKHFHSA-N 2 1 393.575 4.340 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1 ZINC000014975668 210137901 /nfs/dbraw/zinc/13/79/01/210137901.db2.gz RKSDVDMDUOHFCA-QHCPKHFHSA-N 2 1 393.575 4.340 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1 ZINC000014975668 210137904 /nfs/dbraw/zinc/13/79/04/210137904.db2.gz RKSDVDMDUOHFCA-QHCPKHFHSA-N 2 1 393.575 4.340 50 0 GIAAMP CC(C)[NH+]1CCC(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299784538 212037464 /nfs/dbraw/zinc/03/74/64/212037464.db2.gz OFQXIMMKACXHFP-BDTNDASRSA-N 2 1 394.563 4.426 50 0 GIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(SC)nc3)CC2)C1 ZINC000096165475 211315445 /nfs/dbraw/zinc/31/54/45/211315445.db2.gz ITDUKSYVALDEBA-NRFANRHFSA-N 2 1 396.604 4.290 50 0 GIAAMP Cc1ccc2[nH+]ccc(N3CCC[C@@H](c4[nH+]ccn4CCC[NH+](C)C)C3)c2c1 ZINC000095498226 136179773 /nfs/dbraw/zinc/17/97/73/136179773.db2.gz UQSLTYKVZNEYPQ-LJQANCHMSA-N 3 1 377.536 4.075 50 0 GIAAMP CCCc1cc(N2CCC([N@H+](C)Cc3cccc4cnccc43)CC2)nc(C)[nH+]1 ZINC000095504602 136180234 /nfs/dbraw/zinc/18/02/34/136180234.db2.gz MAHFKCSPIXYANQ-UHFFFAOYSA-N 2 1 389.547 4.387 50 0 GIAAMP CCCc1cc(N2CCC([N@@H+](C)Cc3cccc4cnccc43)CC2)nc(C)[nH+]1 ZINC000095504602 136180235 /nfs/dbraw/zinc/18/02/35/136180235.db2.gz MAHFKCSPIXYANQ-UHFFFAOYSA-N 2 1 389.547 4.387 50 0 GIAAMP CC[N@@H+](Cc1ccc2nonc2c1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011814326 570583900 /nfs/dbraw/zinc/58/39/00/570583900.db2.gz HLPQRSGCGVFLHW-HXUWFJFHSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[N@H+](Cc1ccc2nonc2c1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011814326 570583903 /nfs/dbraw/zinc/58/39/03/570583903.db2.gz HLPQRSGCGVFLHW-HXUWFJFHSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[NH+](Cc1ccc2nonc2c1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011814326 570583906 /nfs/dbraw/zinc/58/39/06/570583906.db2.gz HLPQRSGCGVFLHW-HXUWFJFHSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[NH+](Cc1ccc2nonc2c1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011814326 570583908 /nfs/dbraw/zinc/58/39/08/570583908.db2.gz HLPQRSGCGVFLHW-HXUWFJFHSA-N 2 1 396.510 4.139 50 0 GIAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3cc4ccccc4s3)CC2)CC1 ZINC000012050059 570600838 /nfs/dbraw/zinc/60/08/38/570600838.db2.gz LGRLGBSIQZYFBI-UHFFFAOYSA-N 2 1 399.604 4.058 50 0 GIAAMP CC[N@H+](Cc1ccc(OC)c(O)c1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012301701 570636645 /nfs/dbraw/zinc/63/66/45/570636645.db2.gz TVAXYEIVHPKUKQ-UHFFFAOYSA-N 2 1 396.575 4.486 50 0 GIAAMP Cn1c2ccccc2nc1C[N@@H+](C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012306968 570639249 /nfs/dbraw/zinc/63/92/49/570639249.db2.gz ZBTQPDTXXVTLIZ-UHFFFAOYSA-N 2 1 394.538 4.099 50 0 GIAAMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)cc1 ZINC000012596836 570689636 /nfs/dbraw/zinc/68/96/36/570689636.db2.gz ZSRCUIUSMMQNNW-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)cc1 ZINC000012596836 570689639 /nfs/dbraw/zinc/68/96/39/570689639.db2.gz ZSRCUIUSMMQNNW-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)cc1 ZINC000012596836 570689643 /nfs/dbraw/zinc/68/96/43/570689643.db2.gz ZSRCUIUSMMQNNW-HSZRJFAPSA-N 2 1 396.575 4.480 50 0 GIAAMP COc1ccc(CC[N@H+](Cc2ccc3c(c2)CCO3)CC2CC[NH+](C)CC2)cc1 ZINC000012702247 570699190 /nfs/dbraw/zinc/69/91/90/570699190.db2.gz NZKZWCNRPXXIHL-UHFFFAOYSA-N 2 1 394.559 4.017 50 0 GIAAMP Cc1c(C[NH+]2CCC([C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)cnn1C ZINC000020782372 818631498 /nfs/dbraw/zinc/63/14/98/818631498.db2.gz UKZODUDAJMGZNX-HXUWFJFHSA-N 2 1 386.971 4.116 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cc(=O)c4ccccc4[nH]3)CC2)o1 ZINC000011754010 221125277 /nfs/dbraw/zinc/12/52/77/221125277.db2.gz NFVOYOPQPGTWKB-UHFFFAOYSA-N 2 1 379.504 4.186 50 0 GIAAMP CCn1cncc1C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012446606 221197133 /nfs/dbraw/zinc/19/71/33/221197133.db2.gz LDWBTSQOZODOAZ-FQEVSTJZSA-N 2 1 386.971 4.291 50 0 GIAAMP O=C(C1=CCCC1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012574303 221209255 /nfs/dbraw/zinc/20/92/55/221209255.db2.gz DVLAEVFONRUNEH-OAQYLSRUSA-N 2 1 387.612 4.066 50 0 GIAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH2+]Cc2ccsc2)c1)C1CCCCC1 ZINC000012386502 221187557 /nfs/dbraw/zinc/18/75/57/221187557.db2.gz YKNXGFCZBADCIE-OAQYLSRUSA-N 2 1 388.577 4.042 50 0 GIAAMP CCOc1cc(C[N@@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000014950151 221321018 /nfs/dbraw/zinc/32/10/18/221321018.db2.gz OWUJQCUXOOMYEP-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000014950151 221321020 /nfs/dbraw/zinc/32/10/20/221321020.db2.gz OWUJQCUXOOMYEP-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CCOc1cc(C[NH+](CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000014950151 221321021 /nfs/dbraw/zinc/32/10/21/221321021.db2.gz OWUJQCUXOOMYEP-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP COc1ccc(OCC[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000018898942 221392748 /nfs/dbraw/zinc/39/27/48/221392748.db2.gz FHIVQMCJAJFVBO-UHFFFAOYSA-N 2 1 397.906 4.098 50 0 GIAAMP Cc1cc(N2CCC3(CCC[N@H+]3Cc3cccnc3N)CC2)c2ccccc2[nH+]1 ZINC000072438403 136170562 /nfs/dbraw/zinc/17/05/62/136170562.db2.gz COQNTUUTCMZGPH-UHFFFAOYSA-N 2 1 387.531 4.155 50 0 GIAAMP Cc1cc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)c2cc3c(cc2[nH+]1)OCO3 ZINC000095500876 136180019 /nfs/dbraw/zinc/18/00/19/136180019.db2.gz LDVBILLPAUJPLT-UHFFFAOYSA-N 2 1 390.487 4.262 50 0 GIAAMP CCc1nccc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](CC)C3)n1 ZINC000096136331 222386449 /nfs/dbraw/zinc/38/64/49/222386449.db2.gz RWORHLQPMIVPCJ-OAQYLSRUSA-N 2 1 378.564 4.131 50 0 GIAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)CC1 ZINC000023153286 526410144 /nfs/dbraw/zinc/41/01/44/526410144.db2.gz YYHOCWSFGWTSMB-HSZRJFAPSA-N 2 1 397.538 4.114 50 0 GIAAMP CC[C@H](c1ccccn1)[N@@H+](C)Cc1cc(C)cc(CN2CC[NH+](C)CC2)c1C ZINC000215871382 570292778 /nfs/dbraw/zinc/29/27/78/570292778.db2.gz WGQZWSJUFVSTPT-XMMPIXPASA-N 2 1 380.580 4.029 50 0 GIAAMP CC[C@H](c1ccccn1)[N@H+](C)Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C ZINC000215871382 570292781 /nfs/dbraw/zinc/29/27/81/570292781.db2.gz WGQZWSJUFVSTPT-XMMPIXPASA-N 2 1 380.580 4.029 50 0 GIAAMP CC[C@H](c1ccccn1)[N@@H+](C)Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C ZINC000215871382 570292783 /nfs/dbraw/zinc/29/27/83/570292783.db2.gz WGQZWSJUFVSTPT-XMMPIXPASA-N 2 1 380.580 4.029 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008376986 570530088 /nfs/dbraw/zinc/53/00/88/570530088.db2.gz OCECHSCLZFPVFU-UHFFFAOYSA-N 2 1 397.744 4.381 50 0 GIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccccc1F ZINC000008373834 570530209 /nfs/dbraw/zinc/53/02/09/570530209.db2.gz WJLNXVWFZVIUQY-UHFFFAOYSA-N 2 1 380.891 4.108 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1cccc(Cl)c1 ZINC000040720279 570604773 /nfs/dbraw/zinc/60/47/73/570604773.db2.gz XPZRXMNWDUWLEX-UHFFFAOYSA-N 2 1 376.928 4.359 50 0 GIAAMP CC(C)[NH+]1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299803059 570898128 /nfs/dbraw/zinc/89/81/28/570898128.db2.gz VVHNRYJQQSYWGW-HBMCJLEFSA-N 2 1 380.536 4.350 50 0 GIAAMP C[NH+](C)CCCOc1cccc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1 ZINC000014965482 818280141 /nfs/dbraw/zinc/28/01/41/818280141.db2.gz MOQYOPGLHUTWNL-RUZDIDTESA-N 2 1 399.623 4.105 50 0 GIAAMP C[NH+](C)CCCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC000014965482 818280147 /nfs/dbraw/zinc/28/01/47/818280147.db2.gz MOQYOPGLHUTWNL-RUZDIDTESA-N 3 1 399.623 4.105 50 0 GIAAMP C[NH+](C)CCCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c1 ZINC000014965482 818280154 /nfs/dbraw/zinc/28/01/54/818280154.db2.gz MOQYOPGLHUTWNL-RUZDIDTESA-N 3 1 399.623 4.105 50 0 GIAAMP C[NH+](C)CCCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC000014965482 818280159 /nfs/dbraw/zinc/28/01/59/818280159.db2.gz MOQYOPGLHUTWNL-RUZDIDTESA-N 3 1 399.623 4.105 50 0 GIAAMP C[NH+](C)CCCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1 ZINC000014965482 818280167 /nfs/dbraw/zinc/28/01/67/818280167.db2.gz MOQYOPGLHUTWNL-RUZDIDTESA-N 3 1 399.623 4.105 50 0 GIAAMP CC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cs1 ZINC000020858916 818634086 /nfs/dbraw/zinc/63/40/86/818634086.db2.gz KGBAIRVLGPSVDF-UHFFFAOYSA-N 2 1 388.552 4.476 50 0 GIAAMP c1ccc(CC[NH+]2CCC(N3CC[N@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)CC2)cc1 ZINC000022078487 818769625 /nfs/dbraw/zinc/76/96/25/818769625.db2.gz UFVFYWFHQFROLA-UIOOFZCWSA-N 2 1 395.635 4.422 50 0 GIAAMP C[N@@H+](C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000055153702 822941806 /nfs/dbraw/zinc/94/18/06/822941806.db2.gz RPJUHOSYHOZGPC-GOSISDBHSA-N 2 1 384.486 4.071 50 0 GIAAMP C[NH+](C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000055153702 822941809 /nfs/dbraw/zinc/94/18/09/822941809.db2.gz RPJUHOSYHOZGPC-GOSISDBHSA-N 2 1 384.486 4.071 50 0 GIAAMP C[NH+](C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C1CCOCC1 ZINC000055153702 822941810 /nfs/dbraw/zinc/94/18/10/822941810.db2.gz RPJUHOSYHOZGPC-GOSISDBHSA-N 2 1 384.486 4.071 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccccc1Cl ZINC000008254683 221032815 /nfs/dbraw/zinc/03/28/15/221032815.db2.gz BKDVPHJUBFVZMP-UHFFFAOYSA-N 2 1 376.928 4.359 50 0 GIAAMP COCC[N@H+](Cc1cccc(F)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011753959 221124674 /nfs/dbraw/zinc/12/46/74/221124674.db2.gz IEXYHJSGUMYSJU-UHFFFAOYSA-N 2 1 388.502 4.325 50 0 GIAAMP COCC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012712731 221221191 /nfs/dbraw/zinc/22/11/91/221221191.db2.gz OPXLMMNTEGECSV-OAQYLSRUSA-N 2 1 396.550 4.154 50 0 GIAAMP COCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012712731 221221192 /nfs/dbraw/zinc/22/11/92/221221192.db2.gz OPXLMMNTEGECSV-OAQYLSRUSA-N 2 1 396.550 4.154 50 0 GIAAMP COCC[NH+](Cc1cccc(F)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012712731 221221195 /nfs/dbraw/zinc/22/11/95/221221195.db2.gz OPXLMMNTEGECSV-OAQYLSRUSA-N 2 1 396.550 4.154 50 0 GIAAMP COCC[NH+](Cc1cccc(F)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012712731 221221196 /nfs/dbraw/zinc/22/11/96/221221196.db2.gz OPXLMMNTEGECSV-OAQYLSRUSA-N 2 1 396.550 4.154 50 0 GIAAMP CC[N@H+]1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000014955455 221320073 /nfs/dbraw/zinc/32/00/73/221320073.db2.gz SUVSKQSWBIFVMD-UHFFFAOYSA-N 2 1 380.532 4.082 50 0 GIAAMP COc1cccc2c1OCC(C[N@@H+](C)CC1CC[NH+](Cc3ccc(C)o3)CC1)=C2 ZINC000015064267 221328239 /nfs/dbraw/zinc/32/82/39/221328239.db2.gz HHVHOVDKZABFFI-UHFFFAOYSA-N 2 1 396.531 4.216 50 0 GIAAMP C[NH+]1CCC(C[N@@H+](CCc2ccccc2)Cc2cccn2-c2nccs2)CC1 ZINC000015066375 221329372 /nfs/dbraw/zinc/32/93/72/221329372.db2.gz YNEXKUXUOMJTRR-UHFFFAOYSA-N 2 1 394.588 4.320 50 0 GIAAMP Cc1c(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cnn1C ZINC000072420320 136169762 /nfs/dbraw/zinc/16/97/62/136169762.db2.gz OWVONSRQGSUOBN-UHFFFAOYSA-N 2 1 389.547 4.220 50 0 GIAAMP CC[N@@H+](Cc1cccc(C)n1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055254586 222017696 /nfs/dbraw/zinc/01/76/96/222017696.db2.gz FTZBIQOQBQYNHM-QFIPXVFZSA-N 2 1 381.564 4.175 50 0 GIAAMP CC[N@H+](Cc1cccc(C)n1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055254586 222017698 /nfs/dbraw/zinc/01/76/98/222017698.db2.gz FTZBIQOQBQYNHM-QFIPXVFZSA-N 2 1 381.564 4.175 50 0 GIAAMP CC[NH+](Cc1cccc(C)n1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055254586 222017701 /nfs/dbraw/zinc/01/77/01/222017701.db2.gz FTZBIQOQBQYNHM-QFIPXVFZSA-N 2 1 381.564 4.175 50 0 GIAAMP CC[NH+](Cc1cccc(C)n1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055254586 222017703 /nfs/dbraw/zinc/01/77/03/222017703.db2.gz FTZBIQOQBQYNHM-QFIPXVFZSA-N 2 1 381.564 4.175 50 0 GIAAMP OC[C@]1(Cc2ccc(F)cc2)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000039413282 570591547 /nfs/dbraw/zinc/59/15/47/570591547.db2.gz SQHCCZZAIZAQGZ-VWLOTQADSA-N 2 1 396.550 4.107 50 0 GIAAMP OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000039413282 570591548 /nfs/dbraw/zinc/59/15/48/570591548.db2.gz SQHCCZZAIZAQGZ-VWLOTQADSA-N 2 1 396.550 4.107 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cc(C)ccc3-n3cccn3)CC2)o1 ZINC000012477495 570674344 /nfs/dbraw/zinc/67/43/44/570674344.db2.gz TVPZSXJKYYMZDQ-UHFFFAOYSA-N 2 1 392.547 4.426 50 0 GIAAMP Fc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)CC1 ZINC000011937914 818130115 /nfs/dbraw/zinc/13/01/15/818130115.db2.gz RGGAXXZMVUXABJ-QHCPKHFHSA-N 2 1 397.538 4.114 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccoc2)C[C@@H]2CCCO2)CC1 ZINC000012457510 221198315 /nfs/dbraw/zinc/19/83/15/221198315.db2.gz YPZYLZXPBHNETA-DEOSSOPVSA-N 2 1 382.548 4.481 50 0 GIAAMP O=C(CCC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012574202 221208307 /nfs/dbraw/zinc/20/83/07/221208307.db2.gz GGHMTSCKQCCNKS-DEOSSOPVSA-N 2 1 397.607 4.060 50 0 GIAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](C[C@@H](C)CCC=C(C)C)CC2)CC1 ZINC000014979902 221323584 /nfs/dbraw/zinc/32/35/84/221323584.db2.gz RAHQZNHHLMRGDX-NRFANRHFSA-N 2 1 377.617 4.025 50 0 GIAAMP COCC[N@@H+](CCc1ccccc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000015076692 221330617 /nfs/dbraw/zinc/33/06/17/221330617.db2.gz DJTUYQGHBQFPFG-HSZRJFAPSA-N 2 1 392.587 4.057 50 0 GIAAMP COCC[NH+](CCc1ccccc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000015076692 221330620 /nfs/dbraw/zinc/33/06/20/221330620.db2.gz DJTUYQGHBQFPFG-HSZRJFAPSA-N 2 1 392.587 4.057 50 0 GIAAMP COCC[NH+](CCc1ccccc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000015076692 221330625 /nfs/dbraw/zinc/33/06/25/221330625.db2.gz DJTUYQGHBQFPFG-HSZRJFAPSA-N 2 1 392.587 4.057 50 0 GIAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095497498 136179700 /nfs/dbraw/zinc/17/97/00/136179700.db2.gz RVIWCXAPPIBPMB-SFHVURJKSA-N 2 1 397.954 4.420 50 0 GIAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000095496770 136179787 /nfs/dbraw/zinc/17/97/87/136179787.db2.gz PFVLLNGNFTYGHT-IBGZPJMESA-N 3 1 377.536 4.075 50 0 GIAAMP Cc1cc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)nc(C)[nH+]1 ZINC000096524732 136187301 /nfs/dbraw/zinc/18/73/01/136187301.db2.gz CNTUIAZBJKXBDP-UHFFFAOYSA-N 2 1 387.531 4.028 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCc1c(Cl)cccc1Cl ZINC000040719464 221926889 /nfs/dbraw/zinc/92/68/89/221926889.db2.gz OXZGNSWTKGXUEE-UHFFFAOYSA-N 2 1 383.319 4.280 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2nccs2)C[C@H]2CCCO2)CC1 ZINC000095525417 222349195 /nfs/dbraw/zinc/34/91/95/222349195.db2.gz REOPMQBKQYPSMO-JOCHJYFZSA-N 2 1 399.604 4.345 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2nccs2)C[C@H]2CCCO2)CC1 ZINC000095525417 222349199 /nfs/dbraw/zinc/34/91/99/222349199.db2.gz REOPMQBKQYPSMO-JOCHJYFZSA-N 2 1 399.604 4.345 50 0 GIAAMP CCOC(=O)/C=C/c1ccc([C@H]2CCC[N@H+]2CCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000097447449 570244375 /nfs/dbraw/zinc/24/43/75/570244375.db2.gz CFOIYFNSIAUVFH-ZXXUSRDYSA-N 2 1 390.527 4.246 50 0 GIAAMP Fc1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030913923 570501057 /nfs/dbraw/zinc/50/10/57/570501057.db2.gz CYCZDVLDMKDEQC-UHFFFAOYSA-N 2 1 389.518 4.438 50 0 GIAAMP OCC[NH2+]CCC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040720780 570605833 /nfs/dbraw/zinc/60/58/33/570605833.db2.gz GKJRVNNKSLSXHV-UHFFFAOYSA-N 2 1 398.934 4.134 50 0 GIAAMP Cc1cc(C)c(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1C ZINC000011997035 818135302 /nfs/dbraw/zinc/13/53/02/818135302.db2.gz QOMNOKNNTFDYJR-JOCHJYFZSA-N 2 1 399.623 4.157 50 0 GIAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)C[C@H](C)c2ccccc2)CC1 ZINC000019218312 818587982 /nfs/dbraw/zinc/58/79/82/818587982.db2.gz VVEHAGQTXORIOU-NRFANRHFSA-N 2 1 381.564 4.046 50 0 GIAAMP c1csc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000020351545 818619057 /nfs/dbraw/zinc/61/90/57/818619057.db2.gz KPUDEEASWJLVHD-FQEVSTJZSA-N 2 1 390.641 4.086 50 0 GIAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546607 823975428 /nfs/dbraw/zinc/97/54/28/823975428.db2.gz RLHCBKZHVATRDG-HXUWFJFHSA-N 2 1 378.520 4.404 50 0 GIAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546607 823975439 /nfs/dbraw/zinc/97/54/39/823975439.db2.gz RLHCBKZHVATRDG-HXUWFJFHSA-N 2 1 378.520 4.404 50 0 GIAAMP C[N@H+](Cc1cccc(F)c1F)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000011817664 221127716 /nfs/dbraw/zinc/12/77/16/221127716.db2.gz MKXCGUWWZWINNL-UHFFFAOYSA-N 2 1 376.466 4.490 50 0 GIAAMP COCc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012612552 221214479 /nfs/dbraw/zinc/21/44/79/221214479.db2.gz UXFJPVZJYIKFBQ-OAQYLSRUSA-N 2 1 390.568 4.062 50 0 GIAAMP CC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012725560 221221438 /nfs/dbraw/zinc/22/14/38/221221438.db2.gz ZNPMHSTYZDDRHR-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1cccc(OC)c1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012725560 221221440 /nfs/dbraw/zinc/22/14/40/221221440.db2.gz ZNPMHSTYZDDRHR-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP CC[NH+](Cc1cccc(OC)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012725560 221221444 /nfs/dbraw/zinc/22/14/44/221221444.db2.gz ZNPMHSTYZDDRHR-QHCPKHFHSA-N 2 1 396.575 4.480 50 0 GIAAMP OCC[NH2+]CCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013732818 221285412 /nfs/dbraw/zinc/28/54/12/221285412.db2.gz MEUABQPORJNXST-UHFFFAOYSA-N 2 1 398.934 4.134 50 0 GIAAMP COc1ccc(CC[N@H+](Cc2ccc(F)cc2F)CC2CC[NH+](C)CC2)cc1 ZINC000015065903 221329147 /nfs/dbraw/zinc/32/91/47/221329147.db2.gz WEOKZJDBDOSPSF-UHFFFAOYSA-N 2 1 388.502 4.360 50 0 GIAAMP Cc1ccc2c(N3CCC[C@H](c4[nH+]ccn4CCC[NH+](C)C)C3)cc[nH+]c2c1C ZINC000095518924 136180947 /nfs/dbraw/zinc/18/09/47/136180947.db2.gz PSOJKDUUINJCNR-FQEVSTJZSA-N 3 1 391.563 4.384 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000057387108 222032183 /nfs/dbraw/zinc/03/21/83/222032183.db2.gz NGMSDJOJOPPORU-UHFFFAOYSA-N 2 1 394.918 4.498 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000057387123 222032512 /nfs/dbraw/zinc/03/25/12/222032512.db2.gz IXXOCYVYYZZGPV-UHFFFAOYSA-N 2 1 380.891 4.156 50 0 GIAAMP CC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(C)cc(CN2CC[NH+](C)CC2)c1C ZINC000215871333 570292911 /nfs/dbraw/zinc/29/29/11/570292911.db2.gz WGQZWSJUFVSTPT-DEOSSOPVSA-N 2 1 380.580 4.029 50 0 GIAAMP CC[C@@H](c1ccccn1)[N@H+](C)Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C ZINC000215871333 570292912 /nfs/dbraw/zinc/29/29/12/570292912.db2.gz WGQZWSJUFVSTPT-DEOSSOPVSA-N 2 1 380.580 4.029 50 0 GIAAMP CC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C ZINC000215871333 570292914 /nfs/dbraw/zinc/29/29/14/570292914.db2.gz WGQZWSJUFVSTPT-DEOSSOPVSA-N 2 1 380.580 4.029 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040719482 570604069 /nfs/dbraw/zinc/60/40/69/570604069.db2.gz GCSTUJFRLACHFM-UHFFFAOYSA-N 2 1 383.319 4.280 50 0 GIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720502 570605493 /nfs/dbraw/zinc/60/54/93/570605493.db2.gz UMFJXWHPXPZYRE-UHFFFAOYSA-N 2 1 376.928 4.325 50 0 GIAAMP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)C[C@@H](C)c2ccccc2)CC1 ZINC000019218307 818587963 /nfs/dbraw/zinc/58/79/63/818587963.db2.gz VVEHAGQTXORIOU-OAQYLSRUSA-N 2 1 381.564 4.046 50 0 GIAAMP Fc1ccccc1CN1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000023374930 818929755 /nfs/dbraw/zinc/92/97/55/818929755.db2.gz BCQHVDZSUJRRNI-XMMPIXPASA-N 2 1 395.566 4.087 50 0 GIAAMP COc1ccccc1-c1csc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000191513017 823694022 /nfs/dbraw/zinc/69/40/22/823694022.db2.gz JQAOFKWBJAWPCH-SFHVURJKSA-N 2 1 385.577 4.482 50 0 GIAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1Cc1ccc(F)cc1 ZINC000575317729 823953594 /nfs/dbraw/zinc/95/35/94/823953594.db2.gz YZPRAGCBCKJGRO-FQEVSTJZSA-N 2 1 378.495 4.229 50 0 GIAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1Cc1ccc(F)cc1 ZINC000575317729 823953606 /nfs/dbraw/zinc/95/36/06/823953606.db2.gz YZPRAGCBCKJGRO-FQEVSTJZSA-N 2 1 378.495 4.229 50 0 GIAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1Cc1ccc(F)cc1 ZINC000575317205 823953920 /nfs/dbraw/zinc/95/39/20/823953920.db2.gz DQUMNNZRTFLPLR-FQEVSTJZSA-N 2 1 378.495 4.229 50 0 GIAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1Cc1ccc(F)cc1 ZINC000575317205 823953930 /nfs/dbraw/zinc/95/39/30/823953930.db2.gz DQUMNNZRTFLPLR-FQEVSTJZSA-N 2 1 378.495 4.229 50 0 GIAAMP Cc1c[nH+]c(C[C@H]2CCC[N@H+](Cc3ccccn3)C2)n1Cc1ccc(F)cc1 ZINC000575317730 823954105 /nfs/dbraw/zinc/95/41/05/823954105.db2.gz YZPRAGCBCKJGRO-HXUWFJFHSA-N 2 1 378.495 4.229 50 0 GIAAMP Cc1c[nH+]c(C[C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1Cc1ccc(F)cc1 ZINC000575317730 823954111 /nfs/dbraw/zinc/95/41/11/823954111.db2.gz YZPRAGCBCKJGRO-HXUWFJFHSA-N 2 1 378.495 4.229 50 0 GIAAMP CCOc1ccccc1C[N@@H+]1CCC[C@@H](Cn2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575547604 823976509 /nfs/dbraw/zinc/97/65/09/823976509.db2.gz LQNHYLKUDDXGDY-HXUWFJFHSA-N 2 1 397.563 4.396 50 0 GIAAMP CCOc1ccccc1C[N@H+]1CCC[C@@H](Cn2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575547604 823976514 /nfs/dbraw/zinc/97/65/14/823976514.db2.gz LQNHYLKUDDXGDY-HXUWFJFHSA-N 2 1 397.563 4.396 50 0 GIAAMP c1coc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011817352 221128490 /nfs/dbraw/zinc/12/84/90/221128490.db2.gz BCVYGLZFTXYOJY-RUZDIDTESA-N 2 1 394.559 4.140 50 0 GIAAMP CC[N@H+](Cc1cnc(SC)nc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012716748 221220796 /nfs/dbraw/zinc/22/07/96/221220796.db2.gz RMZWJRBVVJUXCU-UHFFFAOYSA-N 2 1 398.620 4.284 50 0 GIAAMP CCCn1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(C)n1 ZINC000019114021 221396347 /nfs/dbraw/zinc/39/63/47/221396347.db2.gz BKEPPFBTCGFNGU-UHFFFAOYSA-N 2 1 386.559 4.127 50 0 GIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1c(F)cccc1Cl ZINC000057398563 222031107 /nfs/dbraw/zinc/03/11/07/222031107.db2.gz QUXALHGSPIECQV-UHFFFAOYSA-N 2 1 380.891 4.108 50 0 GIAAMP COCC[N@H+](Cc1ccc(C)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055134346 222015244 /nfs/dbraw/zinc/01/52/44/222015244.db2.gz BWWAZZFGIUUWGC-QHCPKHFHSA-N 2 1 392.587 4.323 50 0 GIAAMP COCC[NH+](Cc1ccc(C)cc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055134346 222015247 /nfs/dbraw/zinc/01/52/47/222015247.db2.gz BWWAZZFGIUUWGC-QHCPKHFHSA-N 2 1 392.587 4.323 50 0 GIAAMP COCC[NH+](Cc1ccc(C)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055134346 222015251 /nfs/dbraw/zinc/01/52/51/222015251.db2.gz BWWAZZFGIUUWGC-QHCPKHFHSA-N 2 1 392.587 4.323 50 0 GIAAMP c1cncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020910241 570284055 /nfs/dbraw/zinc/28/40/55/570284055.db2.gz SNRKJHSHNKLCLQ-HSZRJFAPSA-N 2 1 384.612 4.024 50 0 GIAAMP COc1cccc([C@@H](C[NH2+]C2CC[NH+](C)CC2)c2c[nH]c3ccccc32)c1OC ZINC000023881016 570333562 /nfs/dbraw/zinc/33/35/62/570333562.db2.gz QDZQHAWGXSNUFD-OAQYLSRUSA-N 2 1 393.531 4.001 50 0 GIAAMP c1cc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)ccn1 ZINC000023374926 570358218 /nfs/dbraw/zinc/35/82/18/570358218.db2.gz JQBQASLHBISGQA-QHCPKHFHSA-N 2 1 384.612 4.024 50 0 GIAAMP OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000039413283 570591329 /nfs/dbraw/zinc/59/13/29/570591329.db2.gz SQHCCZZAIZAQGZ-RUZDIDTESA-N 2 1 396.550 4.107 50 0 GIAAMP OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000039413283 570591334 /nfs/dbraw/zinc/59/13/34/570591334.db2.gz SQHCCZZAIZAQGZ-RUZDIDTESA-N 2 1 396.550 4.107 50 0 GIAAMP CCn1ccnc1C[N@@H+](CC(C)C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011663613 818106708 /nfs/dbraw/zinc/10/67/08/818106708.db2.gz XPWVSGRMIASDCP-UHFFFAOYSA-N 2 1 398.595 4.282 50 0 GIAAMP Cc1cc(C)c(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1C ZINC000011997033 818135555 /nfs/dbraw/zinc/13/55/55/818135555.db2.gz QOMNOKNNTFDYJR-QFIPXVFZSA-N 2 1 399.623 4.157 50 0 GIAAMP CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000020780759 818631212 /nfs/dbraw/zinc/63/12/12/818631212.db2.gz ZPEFDRZWHSMTCH-OAQYLSRUSA-N 2 1 398.620 4.225 50 0 GIAAMP c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)co1 ZINC000011950747 212078558 /nfs/dbraw/zinc/07/85/58/212078558.db2.gz KNAFGVAUXVWJMA-VWLOTQADSA-N 2 1 394.559 4.140 50 0 GIAAMP CCc1ccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](CCOC)CC2)cc1 ZINC000012314109 221180272 /nfs/dbraw/zinc/18/02/72/221180272.db2.gz BKPOWLBOYCNWQC-UHFFFAOYSA-N 2 1 381.564 4.005 50 0 GIAAMP CCn1ccnc1C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012447002 221197168 /nfs/dbraw/zinc/19/71/68/221197168.db2.gz SDLHFSCDEZVDIO-FQEVSTJZSA-N 2 1 386.971 4.291 50 0 GIAAMP CCn1ccnc1C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012447002 221197170 /nfs/dbraw/zinc/19/71/70/221197170.db2.gz SDLHFSCDEZVDIO-FQEVSTJZSA-N 2 1 386.971 4.291 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccoc2)C[C@H]2CCCO2)CC1 ZINC000012457512 221198079 /nfs/dbraw/zinc/19/80/79/221198079.db2.gz YPZYLZXPBHNETA-XMMPIXPASA-N 2 1 382.548 4.481 50 0 GIAAMP C[N@H+](Cc1ccc2nonc2c1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012754914 221225278 /nfs/dbraw/zinc/22/52/78/221225278.db2.gz DYSHWBQYLRJTQS-UHFFFAOYSA-N 2 1 398.938 4.263 50 0 GIAAMP C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)C[N@@H+](Cc1cc3ccccc3s1)CCO2 ZINC000014879540 221317619 /nfs/dbraw/zinc/31/76/19/221317619.db2.gz MLEOYGKUBPRSJH-HSZRJFAPSA-N 2 1 396.556 4.065 50 0 GIAAMP C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)C[N@H+](Cc1cc3ccccc3s1)CCO2 ZINC000014879540 221317623 /nfs/dbraw/zinc/31/76/23/221317623.db2.gz MLEOYGKUBPRSJH-HSZRJFAPSA-N 2 1 396.556 4.065 50 0 GIAAMP c1cn(Cc2cscn2)c(C2CCN(c3cc[nH+]c4ccccc43)CC2)[nH+]1 ZINC000095524038 136181544 /nfs/dbraw/zinc/18/15/44/136181544.db2.gz BQVCPZRTFFSLHI-UHFFFAOYSA-N 2 1 375.501 4.320 50 0 GIAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH+]2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511579 222342894 /nfs/dbraw/zinc/34/28/94/222342894.db2.gz JKLQISNSBUGCTA-QFIPXVFZSA-N 2 1 386.580 4.209 50 0 GIAAMP C[NH+](C[C@H](O)COc1cccc(C[N@@H+]2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511579 222342898 /nfs/dbraw/zinc/34/28/98/222342898.db2.gz JKLQISNSBUGCTA-QFIPXVFZSA-N 2 1 386.580 4.209 50 0 GIAAMP C[NH+](C[C@H](O)COc1cccc(C[N@H+]2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511579 222342902 /nfs/dbraw/zinc/34/29/02/222342902.db2.gz JKLQISNSBUGCTA-QFIPXVFZSA-N 2 1 386.580 4.209 50 0 GIAAMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2C)c1 ZINC000030902717 570501047 /nfs/dbraw/zinc/50/10/47/570501047.db2.gz BNKHOURHKXGTSI-UHFFFAOYSA-N 2 1 399.542 4.391 50 0 GIAAMP c1ccc([C@@H]2C[C@H](c3noc(CCC[NH+]4CCCCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299792682 570896458 /nfs/dbraw/zinc/89/64/58/570896458.db2.gz GCPSIFFORSKOMQ-HBMCJLEFSA-N 2 1 380.536 4.181 50 0 GIAAMP CCCN(CC1CC1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019300875 570973951 /nfs/dbraw/zinc/97/39/51/570973951.db2.gz BEFRFNXYBYLSKC-HSZRJFAPSA-N 2 1 397.607 4.012 50 0 GIAAMP CCCN(CC1CC1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019300875 570973958 /nfs/dbraw/zinc/97/39/58/570973958.db2.gz BEFRFNXYBYLSKC-HSZRJFAPSA-N 2 1 397.607 4.012 50 0 GIAAMP CCCN(CC1CC1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019300876 570974184 /nfs/dbraw/zinc/97/41/84/570974184.db2.gz BEFRFNXYBYLSKC-QHCPKHFHSA-N 2 1 397.607 4.012 50 0 GIAAMP CCCN(CC1CC1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019300876 570974185 /nfs/dbraw/zinc/97/41/85/570974185.db2.gz BEFRFNXYBYLSKC-QHCPKHFHSA-N 2 1 397.607 4.012 50 0 GIAAMP CSc1ccc(C[NH+]2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019359605 570979536 /nfs/dbraw/zinc/97/95/36/570979536.db2.gz LXCXFBXXRFAPQQ-UHFFFAOYSA-N 2 1 395.616 4.191 50 0 GIAAMP c1ccc(CC[NH+]2CCC(N3CC[N@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)CC2)cc1 ZINC000022078491 818769614 /nfs/dbraw/zinc/76/96/14/818769614.db2.gz UFVFYWFHQFROLA-CLJLJLNGSA-N 2 1 395.635 4.422 50 0 GIAAMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)cc1 ZINC000055053643 822935432 /nfs/dbraw/zinc/93/54/32/822935432.db2.gz YGPXMTOMLLOODW-VWLOTQADSA-N 2 1 391.559 4.442 50 0 GIAAMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)cc1 ZINC000055053643 822935435 /nfs/dbraw/zinc/93/54/35/822935435.db2.gz YGPXMTOMLLOODW-VWLOTQADSA-N 2 1 391.559 4.442 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cc1 ZINC000055053643 822935438 /nfs/dbraw/zinc/93/54/38/822935438.db2.gz YGPXMTOMLLOODW-VWLOTQADSA-N 2 1 391.559 4.442 50 0 GIAAMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)cc1 ZINC000055053643 822935443 /nfs/dbraw/zinc/93/54/43/822935443.db2.gz YGPXMTOMLLOODW-VWLOTQADSA-N 2 1 391.559 4.442 50 0 GIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)CC2)o1 ZINC000011817214 221127968 /nfs/dbraw/zinc/12/79/68/221127968.db2.gz WOBAUZKPGYKANT-UHFFFAOYSA-N 2 1 396.510 4.461 50 0 GIAAMP COCc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012307803 221179955 /nfs/dbraw/zinc/17/99/55/221179955.db2.gz QAIVJQXCCLWGEH-UHFFFAOYSA-N 2 1 397.563 4.478 50 0 GIAAMP COCc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012307803 221179958 /nfs/dbraw/zinc/17/99/58/221179958.db2.gz QAIVJQXCCLWGEH-UHFFFAOYSA-N 2 1 397.563 4.478 50 0 GIAAMP FC(F)(F)CCC[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012208639 221167844 /nfs/dbraw/zinc/16/78/44/221167844.db2.gz BEQNGHIJGIHRMN-IBGZPJMESA-N 2 1 376.507 4.465 50 0 GIAAMP CCn1cncc1C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012446604 221196794 /nfs/dbraw/zinc/19/67/94/221196794.db2.gz LDWBTSQOZODOAZ-HXUWFJFHSA-N 2 1 386.971 4.291 50 0 GIAAMP C[NH+](C)C[C@](C)(O)c1ccc2c(c1)C[N@@H+](Cc1cc3ccccc3s1)CCO2 ZINC000014879541 221318159 /nfs/dbraw/zinc/31/81/59/221318159.db2.gz MLEOYGKUBPRSJH-QHCPKHFHSA-N 2 1 396.556 4.065 50 0 GIAAMP C[NH+](C)C[C@](C)(O)c1ccc2c(c1)C[N@H+](Cc1cc3ccccc3s1)CCO2 ZINC000014879541 221318162 /nfs/dbraw/zinc/31/81/62/221318162.db2.gz MLEOYGKUBPRSJH-QHCPKHFHSA-N 2 1 396.556 4.065 50 0 GIAAMP Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3ccc(-c4cc[nH]n4)o3)CC2)[nH+]1 ZINC000072431130 136170069 /nfs/dbraw/zinc/17/00/69/136170069.db2.gz YJAGVOSPEPTKNP-UHFFFAOYSA-N 2 1 377.492 4.008 50 0 GIAAMP Cc1cccc(N2CCC3(CCC[N@H+]3Cc3ccc(-c4cc[nH]n4)o3)CC2)[nH+]1 ZINC000072431130 136170070 /nfs/dbraw/zinc/17/00/70/136170070.db2.gz YJAGVOSPEPTKNP-UHFFFAOYSA-N 2 1 377.492 4.008 50 0 GIAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000095496771 136179702 /nfs/dbraw/zinc/17/97/02/136179702.db2.gz PFVLLNGNFTYGHT-LJQANCHMSA-N 3 1 377.536 4.075 50 0 GIAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc2ccccc12 ZINC000095531498 136181813 /nfs/dbraw/zinc/18/18/13/136181813.db2.gz RXIIJLWKDWVNKT-IBGZPJMESA-N 2 1 377.536 4.075 50 0 GIAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc2ccccc12 ZINC000095531499 136181874 /nfs/dbraw/zinc/18/18/74/136181874.db2.gz RXIIJLWKDWVNKT-LJQANCHMSA-N 2 1 377.536 4.075 50 0 GIAAMP CC(C)n1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000067895047 222165649 /nfs/dbraw/zinc/16/56/49/222165649.db2.gz OYBVDOOPRWBENU-HSZRJFAPSA-N 2 1 388.600 4.100 50 0 GIAAMP C[N@H+](C[C@H](O)COc1cccc(C[NH+]2Cc3ccccc3C2)c1)C1CCCCC1 ZINC000095526387 222350287 /nfs/dbraw/zinc/35/02/87/222350287.db2.gz YZHPRRTVTRWSSM-DEOSSOPVSA-N 2 1 394.559 4.207 50 0 GIAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH+]2Cc3ccccc3C2)c1)C1CCCCC1 ZINC000095526387 222350288 /nfs/dbraw/zinc/35/02/88/222350288.db2.gz YZHPRRTVTRWSSM-DEOSSOPVSA-N 2 1 394.559 4.207 50 0 GIAAMP OC[C@@]1(CCc2ccccc2)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019227159 570963758 /nfs/dbraw/zinc/96/37/58/570963758.db2.gz CYONRDXBEYTDII-AREMUKBSSA-N 2 1 392.587 4.358 50 0 GIAAMP OC[C@@]1(CCc2ccccc2)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019227159 570963762 /nfs/dbraw/zinc/96/37/62/570963762.db2.gz CYONRDXBEYTDII-AREMUKBSSA-N 2 1 392.587 4.358 50 0 GIAAMP CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3C=C12 ZINC000004087517 817502329 /nfs/dbraw/zinc/50/23/29/817502329.db2.gz QAWLQHTXXUNGCV-AFFJLAOCSA-N 2 1 398.591 4.171 50 0 GIAAMP COc1ccc(CC[N@H+](Cc2cccc(F)c2F)CC2CC[NH+](C)CC2)cc1 ZINC000019229311 818588787 /nfs/dbraw/zinc/58/87/87/818588787.db2.gz HAJCRKHORNATFX-UHFFFAOYSA-N 2 1 388.502 4.360 50 0 GIAAMP COc1cccc(C[N@@H+]2CCC[C@H](Cn3c(C)c[nH+]c3C3CCOCC3)C2)c1 ZINC000575547750 823976637 /nfs/dbraw/zinc/97/66/37/823976637.db2.gz VFTHUADGSCOJDW-FQEVSTJZSA-N 2 1 383.536 4.006 50 0 GIAAMP COc1cccc(C[N@H+]2CCC[C@H](Cn3c(C)c[nH+]c3C3CCOCC3)C2)c1 ZINC000575547750 823976645 /nfs/dbraw/zinc/97/66/45/823976645.db2.gz VFTHUADGSCOJDW-FQEVSTJZSA-N 2 1 383.536 4.006 50 0 GIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879911 221134719 /nfs/dbraw/zinc/13/47/19/221134719.db2.gz LLZAZGGWTAUFPP-JOCHJYFZSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879911 221134720 /nfs/dbraw/zinc/13/47/20/221134720.db2.gz LLZAZGGWTAUFPP-JOCHJYFZSA-N 2 1 382.548 4.090 50 0 GIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879911 221134721 /nfs/dbraw/zinc/13/47/21/221134721.db2.gz LLZAZGGWTAUFPP-JOCHJYFZSA-N 2 1 382.548 4.090 50 0 GIAAMP Fc1ccccc1N1CCC([N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)CC1 ZINC000012315345 221180132 /nfs/dbraw/zinc/18/01/32/221180132.db2.gz BMBGMGWHGDHZBA-DEOSSOPVSA-N 2 1 385.571 4.383 50 0 GIAAMP Fc1ccccc1N1CCC([NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)CC1 ZINC000012315345 221180135 /nfs/dbraw/zinc/18/01/35/221180135.db2.gz BMBGMGWHGDHZBA-DEOSSOPVSA-N 2 1 385.571 4.383 50 0 GIAAMP Fc1ccccc1N1CCC([NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)CC1 ZINC000012315345 221180138 /nfs/dbraw/zinc/18/01/38/221180138.db2.gz BMBGMGWHGDHZBA-DEOSSOPVSA-N 2 1 385.571 4.383 50 0 GIAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC000012434760 221194143 /nfs/dbraw/zinc/19/41/43/221194143.db2.gz LBCYPJXOYNAYCG-UHFFFAOYSA-N 2 1 393.575 4.283 50 0 GIAAMP Cc1ccc2c(N3CCC[C@@H](c4[nH+]ccn4CCC[NH+](C)C)C3)cc[nH+]c2c1C ZINC000095518925 136181027 /nfs/dbraw/zinc/18/10/27/136181027.db2.gz PSOJKDUUINJCNR-HXUWFJFHSA-N 3 1 391.563 4.384 50 0 GIAAMP Fc1ccc(-c2nc3c([nH]2)C[N@H+](C2CCC4(CC[NH2+]CC4)CC2)CC3)c(F)c1 ZINC000097076645 570235898 /nfs/dbraw/zinc/23/58/98/570235898.db2.gz LXRVNLOOEOXRHN-UHFFFAOYSA-N 2 1 386.490 4.025 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008376956 570530121 /nfs/dbraw/zinc/53/01/21/570530121.db2.gz ACSYGDDXJUVYFO-UHFFFAOYSA-N 2 1 383.319 4.280 50 0 GIAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008377011 570530189 /nfs/dbraw/zinc/53/01/89/570530189.db2.gz RKVOZXNIELAGKD-UHFFFAOYSA-N 2 1 397.744 4.381 50 0 GIAAMP CC(C)C[NH+]1CCC(C[N@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000039455444 570592142 /nfs/dbraw/zinc/59/21/42/570592142.db2.gz MOFSWSKCJWIODM-UHFFFAOYSA-N 2 1 376.932 4.190 50 0 GIAAMP CC(C)C[NH+]1CCC(C[N@@H+](C)Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000039455444 570592146 /nfs/dbraw/zinc/59/21/46/570592146.db2.gz MOFSWSKCJWIODM-UHFFFAOYSA-N 2 1 376.932 4.190 50 0 GIAAMP c1ccc([C@H]2C[N@H+](C3CC3)CC3(CC[NH+](CCc4ccccn4)CC3)C2)cc1 ZINC000095388212 571071249 /nfs/dbraw/zinc/07/12/49/571071249.db2.gz BEPQNURMHGLHJM-JOCHJYFZSA-N 2 1 375.560 4.358 50 0 GIAAMP