smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@H]2C)CC1 ZINC001286869515 1061262056 /nfs/dbraw/zinc/26/20/56/1061262056.db2.gz FJQNKPIIWPHLMM-ISKFKSNPSA-N 1 3 487.737 2.978 20 0 JFADHO Cc1ccc(NC(=O)c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001289742895 1061359140 /nfs/dbraw/zinc/35/91/40/1061359140.db2.gz HDOLATIWZYXRCK-QFIPXVFZSA-N 1 3 497.688 2.894 20 0 JFADHO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC001294633089 1062142287 /nfs/dbraw/zinc/14/22/87/1062142287.db2.gz LOFXLYMHYITOLW-NHCUHLMSSA-N 1 3 489.709 2.618 20 0 JFADHO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC001294633089 1062142289 /nfs/dbraw/zinc/14/22/89/1062142289.db2.gz LOFXLYMHYITOLW-NHCUHLMSSA-N 1 3 489.709 2.618 20 0 JFADHO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC001294684217 1062244047 /nfs/dbraw/zinc/24/40/47/1062244047.db2.gz UDHBEPPLZUAIBA-VXKWHMMOSA-N 1 3 494.750 2.859 20 0 JFADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294708072 1062273552 /nfs/dbraw/zinc/27/35/52/1062273552.db2.gz QPSDTGRRIPTDES-PKTZIBPZSA-N 1 3 489.709 2.775 20 0 JFADHO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294708072 1062273569 /nfs/dbraw/zinc/27/35/69/1062273569.db2.gz QPSDTGRRIPTDES-PKTZIBPZSA-N 1 3 489.709 2.775 20 0 JFADHO CC(C)[C@@H](Cn1c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001287166152 1062576945 /nfs/dbraw/zinc/57/69/45/1062576945.db2.gz YGEKUAJWRMJWFW-XMMPIXPASA-N 1 3 489.753 2.927 20 0 JFADHO CC(C)[C@@H](Cn1c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001287166152 1062576962 /nfs/dbraw/zinc/57/69/62/1062576962.db2.gz YGEKUAJWRMJWFW-XMMPIXPASA-N 1 3 489.753 2.927 20 0 JFADHO CN1CCN(CCCNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714619 /nfs/dbraw/zinc/71/46/19/1062714619.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 1 3 450.627 2.509 20 0 JFADHO CN1CCN(CCCNC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714638 /nfs/dbraw/zinc/71/46/38/1062714638.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 1 3 450.627 2.509 20 0 JFADHO CC(C)C[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001287321280 1062797347 /nfs/dbraw/zinc/79/73/47/1062797347.db2.gz DPFMORPXAZPMEH-JOCHJYFZSA-N 1 3 480.665 2.818 20 0 JFADHO CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001287332187 1062809157 /nfs/dbraw/zinc/80/91/57/1062809157.db2.gz JFAQZLDNJDNLIE-QPPBQGQZSA-N 1 3 469.678 2.930 20 0 JFADHO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)[NH+](C)C ZINC001287340027 1062818192 /nfs/dbraw/zinc/81/81/92/1062818192.db2.gz AOSXNUNWPLIFMC-YTFSRNRJSA-N 1 3 461.699 2.711 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287461764 1062900229 /nfs/dbraw/zinc/90/02/29/1062900229.db2.gz CARUNYMZHDMOPL-ZRBLBEILSA-N 1 3 487.737 2.976 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287461764 1062900250 /nfs/dbraw/zinc/90/02/50/1062900250.db2.gz CARUNYMZHDMOPL-ZRBLBEILSA-N 1 3 487.737 2.976 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001287462317 1062902444 /nfs/dbraw/zinc/90/24/44/1062902444.db2.gz MZZUTXDCWNYVIJ-QHCPKHFHSA-N 1 3 473.710 2.876 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001287463158 1062904759 /nfs/dbraw/zinc/90/47/59/1062904759.db2.gz WIAAIBGWFSPXBZ-MCEYFSPLSA-N 1 3 473.710 2.730 20 0 JFADHO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC001291068598 1063016361 /nfs/dbraw/zinc/01/63/61/1063016361.db2.gz QACBZBIHJIRERT-JXALWOEJSA-N 1 3 480.723 2.658 20 0 JFADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001291100995 1063070372 /nfs/dbraw/zinc/07/03/72/1063070372.db2.gz LJAGLHZGPWBCSH-SFTDATJTSA-N 1 3 489.709 2.616 20 0 JFADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291100995 1063070389 /nfs/dbraw/zinc/07/03/89/1063070389.db2.gz LJAGLHZGPWBCSH-SFTDATJTSA-N 1 3 489.709 2.616 20 0 JFADHO CC(C)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCN1CCC(C)CC1 ZINC001291183221 1063279821 /nfs/dbraw/zinc/27/98/21/1063279821.db2.gz KMQKTPFDUXXISY-UHFFFAOYSA-N 1 3 459.683 2.851 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001295363353 1063323821 /nfs/dbraw/zinc/32/38/21/1063323821.db2.gz VBVHDEHGLIUTFX-QZTJIDSGSA-N 1 3 494.482 2.925 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001295368597 1063333681 /nfs/dbraw/zinc/33/36/81/1063333681.db2.gz XOYPFTAUPZDPOL-FQEVSTJZSA-N 1 3 486.661 2.994 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295483809 1063509072 /nfs/dbraw/zinc/50/90/72/1063509072.db2.gz IMAXMRSTEIUNQV-PKTZIBPZSA-N 1 3 489.709 2.631 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295483809 1063509079 /nfs/dbraw/zinc/50/90/79/1063509079.db2.gz IMAXMRSTEIUNQV-PKTZIBPZSA-N 1 3 489.709 2.631 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001295569863 1063604920 /nfs/dbraw/zinc/60/49/20/1063604920.db2.gz IFOSMSIEAWXHFN-YADHBBJMSA-N 1 3 472.682 2.560 20 0 JFADHO CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288627 1063651335 /nfs/dbraw/zinc/65/13/35/1063651335.db2.gz WBKPOHAMWYZUFP-JOCHJYFZSA-N 1 3 472.682 2.700 20 0 JFADHO CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291288627 1063651343 /nfs/dbraw/zinc/65/13/43/1063651343.db2.gz WBKPOHAMWYZUFP-JOCHJYFZSA-N 1 3 472.682 2.700 20 0 JFADHO C[C@H]1C[N@H+](CCCn2c(N(C)C3CCN(CCn4cccn4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295350 1063694361 /nfs/dbraw/zinc/69/43/61/1063694361.db2.gz YBEQJSRRTKPMGW-QFIPXVFZSA-N 1 3 486.709 2.874 20 0 JFADHO C[C@H]1C[N@@H+](CCCn2c(N(C)C3CCN(CCn4cccn4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295350 1063694368 /nfs/dbraw/zinc/69/43/68/1063694368.db2.gz YBEQJSRRTKPMGW-QFIPXVFZSA-N 1 3 486.709 2.874 20 0 JFADHO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(C)C ZINC001295824511 1063832107 /nfs/dbraw/zinc/83/21/07/1063832107.db2.gz FFDBPGHVXIEGFR-SFHVURJKSA-N 1 3 494.482 2.925 20 0 JFADHO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(C)C ZINC001295824511 1063832123 /nfs/dbraw/zinc/83/21/23/1063832123.db2.gz FFDBPGHVXIEGFR-SFHVURJKSA-N 1 3 494.482 2.925 20 0 JFADHO CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001295853878 1063881507 /nfs/dbraw/zinc/88/15/07/1063881507.db2.gz BFPMIUFXWBQUFK-XMMPIXPASA-N 1 3 481.689 2.650 20 0 JFADHO CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC001295853878 1063881517 /nfs/dbraw/zinc/88/15/17/1063881517.db2.gz BFPMIUFXWBQUFK-XMMPIXPASA-N 1 3 481.689 2.650 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](CC)C(C)C)C[C@@H]1C ZINC001295866300 1063900458 /nfs/dbraw/zinc/90/04/58/1063900458.db2.gz JVAQFKMYZBSYGH-OALUTQOASA-N 1 3 461.680 2.919 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](CC)C(C)C)C[C@@H]1C ZINC001295866300 1063900473 /nfs/dbraw/zinc/90/04/73/1063900473.db2.gz JVAQFKMYZBSYGH-OALUTQOASA-N 1 3 461.680 2.919 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC001295977445 1064023981 /nfs/dbraw/zinc/02/39/81/1064023981.db2.gz KQMCRNFHULMJFC-VQTJNVASSA-N 1 3 468.650 2.647 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001295981031 1064031529 /nfs/dbraw/zinc/03/15/29/1064031529.db2.gz QNWXKOMCWFOFMW-MJCUULBUSA-N 1 3 497.754 2.564 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295981032 1064031597 /nfs/dbraw/zinc/03/15/97/1064031597.db2.gz QNWXKOMCWFOFMW-SSTJLMRISA-N 1 3 497.754 2.564 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295981032 1064031604 /nfs/dbraw/zinc/03/16/04/1064031604.db2.gz QNWXKOMCWFOFMW-SSTJLMRISA-N 1 3 497.754 2.564 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001295982081 1064033791 /nfs/dbraw/zinc/03/37/91/1064033791.db2.gz WIYAIGDCWUOZPS-ACRUOGEOSA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296002966 1064057980 /nfs/dbraw/zinc/05/79/80/1064057980.db2.gz PDHORRDYOMNKLF-PMACEKPBSA-N 1 3 458.626 2.774 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001296010428 1064068542 /nfs/dbraw/zinc/06/85/42/1064068542.db2.gz LDIKUNUOKFLBDO-KSZLIROESA-N 1 3 459.664 2.671 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001296010428 1064068552 /nfs/dbraw/zinc/06/85/52/1064068552.db2.gz LDIKUNUOKFLBDO-KSZLIROESA-N 1 3 459.664 2.671 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001296010425 1064068740 /nfs/dbraw/zinc/06/87/40/1064068740.db2.gz LDIKUNUOKFLBDO-BZSNNMDCSA-N 1 3 459.664 2.671 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001296010425 1064068755 /nfs/dbraw/zinc/06/87/55/1064068755.db2.gz LDIKUNUOKFLBDO-BZSNNMDCSA-N 1 3 459.664 2.671 20 0 JFADHO CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001296025177 1064085396 /nfs/dbraw/zinc/08/53/96/1064085396.db2.gz NQWWKPQSSKOMDU-JOCHJYFZSA-N 1 3 473.710 2.732 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001291622437 1064163286 /nfs/dbraw/zinc/16/32/86/1064163286.db2.gz WTWOJVWSJGEYNS-IBGZPJMESA-N 1 3 450.697 2.920 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296132977 1064232359 /nfs/dbraw/zinc/23/23/59/1064232359.db2.gz SAFXTISVWOIEHK-QFIPXVFZSA-N 1 3 468.694 2.985 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296132977 1064232363 /nfs/dbraw/zinc/23/23/63/1064232363.db2.gz SAFXTISVWOIEHK-QFIPXVFZSA-N 1 3 468.694 2.985 20 0 JFADHO CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291782474 1064271574 /nfs/dbraw/zinc/27/15/74/1064271574.db2.gz PGPILCHCQHTZMV-LADGPHEKSA-N 1 3 468.694 2.599 20 0 JFADHO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291782474 1064271582 /nfs/dbraw/zinc/27/15/82/1064271582.db2.gz PGPILCHCQHTZMV-LADGPHEKSA-N 1 3 468.694 2.599 20 0 JFADHO CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181926 1064319947 /nfs/dbraw/zinc/31/99/47/1064319947.db2.gz HKOTUPGGHISRBT-ZJSXRUAMSA-N 1 3 471.669 2.955 20 0 JFADHO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)C)CC2)CC1 ZINC001296195213 1064359681 /nfs/dbraw/zinc/35/96/81/1064359681.db2.gz OVPDYVTWTAJBDJ-QFIPXVFZSA-N 1 3 499.704 2.766 20 0 JFADHO CCN1CCN(CCCn2c(COc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296215624 1064418126 /nfs/dbraw/zinc/41/81/26/1064418126.db2.gz UROURDLQDHYOQT-UHFFFAOYSA-N 1 3 487.668 2.944 20 0 JFADHO CCN1CCN(CCCn2c(COc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296215624 1064418133 /nfs/dbraw/zinc/41/81/33/1064418133.db2.gz UROURDLQDHYOQT-UHFFFAOYSA-N 1 3 487.668 2.944 20 0 JFADHO CC[C@H](c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291888807 1064513474 /nfs/dbraw/zinc/51/34/74/1064513474.db2.gz RGLZEQDUZHZWFK-ZEQRLZLVSA-N 1 3 481.689 2.903 20 0 JFADHO CC[C@H](c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291888807 1064513489 /nfs/dbraw/zinc/51/34/89/1064513489.db2.gz RGLZEQDUZHZWFK-ZEQRLZLVSA-N 1 3 481.689 2.903 20 0 JFADHO CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001292513262 1065232757 /nfs/dbraw/zinc/23/27/57/1065232757.db2.gz BJSAPMQLSQWFIK-QFIPXVFZSA-N 1 3 481.689 2.982 20 0 JFADHO CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001292513262 1065232769 /nfs/dbraw/zinc/23/27/69/1065232769.db2.gz BJSAPMQLSQWFIK-QFIPXVFZSA-N 1 3 481.689 2.982 20 0 JFADHO CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001292892481 1065590271 /nfs/dbraw/zinc/59/02/71/1065590271.db2.gz DRRIKEGDLRNEJN-SQJMNOBHSA-N 1 3 481.689 2.719 20 0 JFADHO CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001292892481 1065590277 /nfs/dbraw/zinc/59/02/77/1065590277.db2.gz DRRIKEGDLRNEJN-SQJMNOBHSA-N 1 3 481.689 2.719 20 0 JFADHO CCC[C@@H]1CN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1CCOC ZINC001294061312 1066533470 /nfs/dbraw/zinc/53/34/70/1066533470.db2.gz QGHASYIJLCQNOX-XMMPIXPASA-N 1 3 470.662 2.529 20 0 JFADHO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CC=CCC2)CCN1CCOC ZINC001294086898 1066558211 /nfs/dbraw/zinc/55/82/11/1066558211.db2.gz ZWYOXEKYWCGLHE-JOCHJYFZSA-N 1 3 453.635 2.848 20 0 JFADHO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CC=CCC2)CCN1CCOC ZINC001294086898 1066558224 /nfs/dbraw/zinc/55/82/24/1066558224.db2.gz ZWYOXEKYWCGLHE-JOCHJYFZSA-N 1 3 453.635 2.848 20 0 JFADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164719663 720127316 /nfs/dbraw/zinc/12/73/16/720127316.db2.gz ZUGDOVQHKZNZBW-HSZRJFAPSA-N 1 3 450.631 2.736 20 0 JFADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164719663 720127318 /nfs/dbraw/zinc/12/73/18/720127318.db2.gz ZUGDOVQHKZNZBW-HSZRJFAPSA-N 1 3 450.631 2.736 20 0 JFADHO Cc1cccc(-c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001289954705 1061650751 /nfs/dbraw/zinc/65/07/51/1061650751.db2.gz OCESHFIWTIQYGA-JOCHJYFZSA-N 1 3 454.667 2.593 20 0 JFADHO Cc1cccc(-c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001289954705 1061650769 /nfs/dbraw/zinc/65/07/69/1061650769.db2.gz OCESHFIWTIQYGA-JOCHJYFZSA-N 1 3 454.667 2.593 20 0 JFADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 ZINC001294453819 1061999075 /nfs/dbraw/zinc/99/90/75/1061999075.db2.gz HVYNDJDRBUNZSI-NRFANRHFSA-N 1 3 459.683 2.804 20 0 JFADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 ZINC001294453819 1061999100 /nfs/dbraw/zinc/99/91/00/1061999100.db2.gz HVYNDJDRBUNZSI-NRFANRHFSA-N 1 3 459.683 2.804 20 0 JFADHO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294708073 1062273412 /nfs/dbraw/zinc/27/34/12/1062273412.db2.gz QPSDTGRRIPTDES-XZOQPEGZSA-N 1 3 489.709 2.775 20 0 JFADHO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294708073 1062273435 /nfs/dbraw/zinc/27/34/35/1062273435.db2.gz QPSDTGRRIPTDES-XZOQPEGZSA-N 1 3 489.709 2.775 20 0 JFADHO CC(C)[C@H](Cn1c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001287166151 1062576733 /nfs/dbraw/zinc/57/67/33/1062576733.db2.gz YGEKUAJWRMJWFW-DEOSSOPVSA-N 1 3 489.753 2.927 20 0 JFADHO CC(C)[C@H](Cn1c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001287166151 1062576750 /nfs/dbraw/zinc/57/67/50/1062576750.db2.gz YGEKUAJWRMJWFW-DEOSSOPVSA-N 1 3 489.753 2.927 20 0 JFADHO CC(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287220412 1062704792 /nfs/dbraw/zinc/70/47/92/1062704792.db2.gz VTCPNGZIBQCTMS-JOCHJYFZSA-N 1 3 459.683 2.799 20 0 JFADHO CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001287457217 1062896275 /nfs/dbraw/zinc/89/62/75/1062896275.db2.gz SILJDGVYSTXVTN-NRFANRHFSA-N 1 3 454.623 2.818 20 0 JFADHO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001287457217 1062896296 /nfs/dbraw/zinc/89/62/96/1062896296.db2.gz SILJDGVYSTXVTN-NRFANRHFSA-N 1 3 454.623 2.818 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001287461761 1062899777 /nfs/dbraw/zinc/89/97/77/1062899777.db2.gz CARUNYMZHDMOPL-VABKMULXSA-N 1 3 487.737 2.976 20 0 JFADHO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001295127243 1062946001 /nfs/dbraw/zinc/94/60/01/1062946001.db2.gz MMBNLCLWHGSMHL-UHFFFAOYSA-N 1 3 455.651 2.837 20 0 JFADHO CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001295127243 1062946025 /nfs/dbraw/zinc/94/60/25/1062946025.db2.gz MMBNLCLWHGSMHL-UHFFFAOYSA-N 1 3 455.651 2.837 20 0 JFADHO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001287741882 1063068551 /nfs/dbraw/zinc/06/85/51/1063068551.db2.gz OTXHUSUSWASGFQ-FGZHOGPDSA-N 1 3 461.699 2.952 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001287750883 1063076232 /nfs/dbraw/zinc/07/62/32/1063076232.db2.gz OOMQCUOXFUFZCS-QFIPXVFZSA-N 1 3 477.451 2.552 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001287750883 1063076254 /nfs/dbraw/zinc/07/62/54/1063076254.db2.gz OOMQCUOXFUFZCS-QFIPXVFZSA-N 1 3 477.451 2.552 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287761479 1063087156 /nfs/dbraw/zinc/08/71/56/1063087156.db2.gz LQNAUKSCWIYRBZ-UHFFFAOYSA-N 1 3 490.722 2.604 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001295368598 1063333572 /nfs/dbraw/zinc/33/35/72/1063333572.db2.gz XOYPFTAUPZDPOL-HXUWFJFHSA-N 1 3 486.661 2.994 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001295388809 1063366652 /nfs/dbraw/zinc/36/66/52/1063366652.db2.gz KIMYTPNFRLEQHF-NRFANRHFSA-N 1 3 455.651 2.543 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295389662 1063367277 /nfs/dbraw/zinc/36/72/77/1063367277.db2.gz FSVUEAOHBSHJDB-GBXCKJPGSA-N 1 3 450.672 2.970 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295483808 1063509113 /nfs/dbraw/zinc/50/91/13/1063509113.db2.gz IMAXMRSTEIUNQV-GOTSBHOMSA-N 1 3 489.709 2.631 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295483808 1063509132 /nfs/dbraw/zinc/50/91/32/1063509132.db2.gz IMAXMRSTEIUNQV-GOTSBHOMSA-N 1 3 489.709 2.631 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295491208 1063521881 /nfs/dbraw/zinc/52/18/81/1063521881.db2.gz QNNPARCWCQDHGO-DHIUTWEWSA-N 1 3 489.709 2.631 20 0 JFADHO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(C)C ZINC001295824510 1063832053 /nfs/dbraw/zinc/83/20/53/1063832053.db2.gz FFDBPGHVXIEGFR-GOSISDBHSA-N 1 3 494.482 2.925 20 0 JFADHO CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(C)C ZINC001295824510 1063832069 /nfs/dbraw/zinc/83/20/69/1063832069.db2.gz FFDBPGHVXIEGFR-GOSISDBHSA-N 1 3 494.482 2.925 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](CC)C(C)C)C[C@H]1C ZINC001295866305 1063900124 /nfs/dbraw/zinc/90/01/24/1063900124.db2.gz JVAQFKMYZBSYGH-RTBURBONSA-N 1 3 461.680 2.919 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](CC)C(C)C)C[C@H]1C ZINC001295866305 1063900134 /nfs/dbraw/zinc/90/01/34/1063900134.db2.gz JVAQFKMYZBSYGH-RTBURBONSA-N 1 3 461.680 2.919 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](CC)C(C)C)C[C@@H]1C ZINC001295866302 1063900256 /nfs/dbraw/zinc/90/02/56/1063900256.db2.gz JVAQFKMYZBSYGH-RBUKOAKNSA-N 1 3 461.680 2.919 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](CC)C(C)C)C[C@@H]1C ZINC001295866302 1063900269 /nfs/dbraw/zinc/90/02/69/1063900269.db2.gz JVAQFKMYZBSYGH-RBUKOAKNSA-N 1 3 461.680 2.919 20 0 JFADHO CC[N@H+](CCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868541 1063905163 /nfs/dbraw/zinc/90/51/63/1063905163.db2.gz PFYJBLPHAYFZEH-GJZUVCINSA-N 1 3 492.709 2.739 20 0 JFADHO CC[N@@H+](CCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868541 1063905172 /nfs/dbraw/zinc/90/51/72/1063905172.db2.gz PFYJBLPHAYFZEH-GJZUVCINSA-N 1 3 492.709 2.739 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001295982083 1064033688 /nfs/dbraw/zinc/03/36/88/1064033688.db2.gz WIYAIGDCWUOZPS-HBMCJLEFSA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001295990109 1064045050 /nfs/dbraw/zinc/04/50/50/1064045050.db2.gz DVFVJCFEEYLBES-WOJBJXKFSA-N 1 3 456.635 2.719 20 0 JFADHO CC[NH+]1CCC(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001296019401 1064081074 /nfs/dbraw/zinc/08/10/74/1064081074.db2.gz XNSBOMATGVNHCU-UHFFFAOYSA-N 1 3 468.650 2.825 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291572790 1064099052 /nfs/dbraw/zinc/09/90/52/1064099052.db2.gz PBJHDEQKHOYFST-VXNXHJTFSA-N 1 3 475.726 2.614 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001291622443 1064163256 /nfs/dbraw/zinc/16/32/56/1064163256.db2.gz WTWOJVWSJGEYNS-LJQANCHMSA-N 1 3 450.697 2.920 20 0 JFADHO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001291772879 1064256791 /nfs/dbraw/zinc/25/67/91/1064256791.db2.gz QLGUQMSPGYCRPK-VXKWHMMOSA-N 1 3 454.667 2.595 20 0 JFADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001291772879 1064256798 /nfs/dbraw/zinc/25/67/98/1064256798.db2.gz QLGUQMSPGYCRPK-VXKWHMMOSA-N 1 3 454.667 2.595 20 0 JFADHO CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001296162833 1064276874 /nfs/dbraw/zinc/27/68/74/1064276874.db2.gz PXZOMKDUIOLBPQ-OAQYLSRUSA-N 1 3 471.669 2.812 20 0 JFADHO CCN1CCN([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296181761 1064317764 /nfs/dbraw/zinc/31/77/64/1064317764.db2.gz CEFFUOPSAKPVBV-HSZRJFAPSA-N 1 3 488.750 2.969 20 0 JFADHO CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183291 1064327448 /nfs/dbraw/zinc/32/74/48/1064327448.db2.gz CUYOKXBHFSBCJP-CCDWMCETSA-N 1 3 488.769 2.670 20 0 JFADHO CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183291 1064327462 /nfs/dbraw/zinc/32/74/62/1064327462.db2.gz CUYOKXBHFSBCJP-CCDWMCETSA-N 1 3 488.769 2.670 20 0 JFADHO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCN(C(C)C)CC2)CC1 ZINC001296183533 1064329048 /nfs/dbraw/zinc/32/90/48/1064329048.db2.gz FAVJTJAIBYNBAV-QFIPXVFZSA-N 1 3 499.704 2.766 20 0 JFADHO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1)N(C)C ZINC001291966628 1064580344 /nfs/dbraw/zinc/58/03/44/1064580344.db2.gz CSIXFAOUGBKLIU-CTNGQTDRSA-N 1 3 468.712 2.513 20 0 JFADHO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1)N(C)C ZINC001291966629 1064580799 /nfs/dbraw/zinc/58/07/99/1064580799.db2.gz CSIXFAOUGBKLIU-FPOVZHCZSA-N 1 3 468.712 2.513 20 0 JFADHO CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)[NH+]1CCCC1 ZINC001292162060 1064947104 /nfs/dbraw/zinc/94/71/04/1064947104.db2.gz IBDXXAPMTMFLCA-YMPZKCBVSA-N 1 3 459.683 2.655 20 0 JFADHO CC[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)[NH+]1CCCC1 ZINC001292196865 1064988802 /nfs/dbraw/zinc/98/88/02/1064988802.db2.gz XWLXZQXEAYONPT-HSZRJFAPSA-N 1 3 467.662 2.810 20 0 JFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(CC(=O)N4CCSCC4)cc3)CC2)CC1 ZINC001292669608 1065409424 /nfs/dbraw/zinc/40/94/24/1065409424.db2.gz XBRZOGYDWMXIHN-UHFFFAOYSA-N 1 3 458.672 2.939 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001292892423 1065590516 /nfs/dbraw/zinc/59/05/16/1065590516.db2.gz DRRIKEGDLRNEJN-BWKNWUBXSA-N 1 3 481.689 2.719 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001292892423 1065590526 /nfs/dbraw/zinc/59/05/26/1065590526.db2.gz DRRIKEGDLRNEJN-BWKNWUBXSA-N 1 3 481.689 2.719 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001292893443 1065594159 /nfs/dbraw/zinc/59/41/59/1065594159.db2.gz OBAMSMJCHNOMMM-RDGATRHJSA-N 1 3 481.689 2.742 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001292893443 1065594166 /nfs/dbraw/zinc/59/41/66/1065594166.db2.gz OBAMSMJCHNOMMM-RDGATRHJSA-N 1 3 481.689 2.742 20 0 JFADHO CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001294077439 1066546999 /nfs/dbraw/zinc/54/69/99/1066546999.db2.gz PFIBYCQWSTWTMS-WMZHIEFXSA-N 1 3 461.680 2.648 20 0 JFADHO CC(C)N(c1ccc(CN2CCCC2)cn1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164687799 719687000 /nfs/dbraw/zinc/68/70/00/719687000.db2.gz VJFMWKJIJNVISV-UHFFFAOYSA-N 1 3 451.619 2.539 20 0 JFADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164719665 720126879 /nfs/dbraw/zinc/12/68/79/720126879.db2.gz ZUGDOVQHKZNZBW-QHCPKHFHSA-N 1 3 450.631 2.736 20 0 JFADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164719665 720126892 /nfs/dbraw/zinc/12/68/92/720126892.db2.gz ZUGDOVQHKZNZBW-QHCPKHFHSA-N 1 3 450.631 2.736 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C4CCCC4)n3CC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869363 1061260457 /nfs/dbraw/zinc/26/04/57/1061260457.db2.gz DVKNWLACNRBDIV-OFNKIYASSA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C4CCCC4)n3CC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869363 1061260477 /nfs/dbraw/zinc/26/04/77/1061260477.db2.gz DVKNWLACNRBDIV-OFNKIYASSA-N 1 3 459.683 2.655 20 0 JFADHO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001289743328 1061359950 /nfs/dbraw/zinc/35/99/50/1061359950.db2.gz NSKDGFMZBUOGHP-XMMPIXPASA-N 1 3 497.688 2.772 20 0 JFADHO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001289743328 1061359968 /nfs/dbraw/zinc/35/99/68/1061359968.db2.gz NSKDGFMZBUOGHP-XMMPIXPASA-N 1 3 497.688 2.772 20 0 JFADHO Cc1ccccc1Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@H](C)[NH+](C)C ZINC001290164727 1061906036 /nfs/dbraw/zinc/90/60/36/1061906036.db2.gz WGBHYSOKDHGDNA-LADGPHEKSA-N 1 3 453.679 2.732 20 0 JFADHO Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC001290432336 1062194953 /nfs/dbraw/zinc/19/49/53/1062194953.db2.gz MPTLXRXFKGSTFK-HXUWFJFHSA-N 1 3 475.707 2.913 20 0 JFADHO Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC001290432336 1062194970 /nfs/dbraw/zinc/19/49/70/1062194970.db2.gz MPTLXRXFKGSTFK-HXUWFJFHSA-N 1 3 475.707 2.913 20 0 JFADHO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 ZINC001294684212 1062244194 /nfs/dbraw/zinc/24/41/94/1062244194.db2.gz UDHBEPPLZUAIBA-FCHUYYIVSA-N 1 3 494.750 2.859 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001287462314 1062902592 /nfs/dbraw/zinc/90/25/92/1062902592.db2.gz MZZUTXDCWNYVIJ-HSZRJFAPSA-N 1 3 473.710 2.876 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287475887 1062926122 /nfs/dbraw/zinc/92/61/22/1062926122.db2.gz AXYKGRKLUGEBED-UHFFFAOYSA-N 1 3 470.662 2.766 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[N@H+](C)CC)c2)C[C@@H]1C ZINC001295126310 1062941425 /nfs/dbraw/zinc/94/14/25/1062941425.db2.gz DVLXDTGATVOPRL-SFTDATJTSA-N 1 3 467.662 2.933 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[N@@H+](C)CC)c2)C[C@@H]1C ZINC001295126310 1062941451 /nfs/dbraw/zinc/94/14/51/1062941451.db2.gz DVLXDTGATVOPRL-SFTDATJTSA-N 1 3 467.662 2.933 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001287748657 1063072389 /nfs/dbraw/zinc/07/23/89/1063072389.db2.gz AVUGXRKIGSBSDP-ZEQKJWHPSA-N 1 3 492.709 2.598 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001287748657 1063072401 /nfs/dbraw/zinc/07/24/01/1063072401.db2.gz AVUGXRKIGSBSDP-ZEQKJWHPSA-N 1 3 492.709 2.598 20 0 JFADHO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181881 1063276983 /nfs/dbraw/zinc/27/69/83/1063276983.db2.gz VXXFEBZNMJAXNC-NRFANRHFSA-N 1 3 497.754 2.569 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001295363358 1063324337 /nfs/dbraw/zinc/32/43/37/1063324337.db2.gz VBVHDEHGLIUTFX-ZWKOTPCHSA-N 1 3 494.482 2.925 20 0 JFADHO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC001295472205 1063477789 /nfs/dbraw/zinc/47/77/89/1063477789.db2.gz JBKNSMKMTIQBOR-NHCUHLMSSA-N 1 3 480.723 2.611 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295482444 1063501764 /nfs/dbraw/zinc/50/17/64/1063501764.db2.gz ONDDUQXNKDVINJ-XMMPIXPASA-N 1 3 492.672 2.577 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295484942 1063513021 /nfs/dbraw/zinc/51/30/21/1063513021.db2.gz RQWIJLAOIIKGPV-JOCHJYFZSA-N 1 3 459.683 2.656 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295484759 1063513141 /nfs/dbraw/zinc/51/31/41/1063513141.db2.gz RKAIXMLAZBFUDM-HXUWFJFHSA-N 1 3 494.644 2.541 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001295490703 1063517775 /nfs/dbraw/zinc/51/77/75/1063517775.db2.gz FQUFVJAMDMZLAH-HSZRJFAPSA-N 1 3 481.689 2.510 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001295490703 1063517794 /nfs/dbraw/zinc/51/77/94/1063517794.db2.gz FQUFVJAMDMZLAH-HSZRJFAPSA-N 1 3 481.689 2.510 20 0 JFADHO C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)CCCO1 ZINC001291292684 1063678461 /nfs/dbraw/zinc/67/84/61/1063678461.db2.gz IAJFFXBBLJXDCH-YADHBBJMSA-N 1 3 462.683 2.526 20 0 JFADHO C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)CCCO1 ZINC001291292684 1063678465 /nfs/dbraw/zinc/67/84/65/1063678465.db2.gz IAJFFXBBLJXDCH-YADHBBJMSA-N 1 3 462.683 2.526 20 0 JFADHO CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001291471083 1064032834 /nfs/dbraw/zinc/03/28/34/1064032834.db2.gz YVLQUVHDBVEFBG-CDNNERCOSA-N 1 3 473.710 2.902 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001295982507 1064035787 /nfs/dbraw/zinc/03/57/87/1064035787.db2.gz UGFFEHVDZNRGCF-IUBSTNSRSA-N 1 3 450.672 2.968 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001295996208 1064052477 /nfs/dbraw/zinc/05/24/77/1064052477.db2.gz NAHMRJHQBGLKNL-UXHICEINSA-N 1 3 466.634 2.586 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291502306 1064052805 /nfs/dbraw/zinc/05/28/05/1064052805.db2.gz FGMJORGZYADKFI-XXBNENTESA-N 1 3 450.697 2.778 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296003431 1064058899 /nfs/dbraw/zinc/05/88/99/1064058899.db2.gz UEWGTFFORHWLSD-FCHUYYIVSA-N 1 3 454.663 2.943 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001291579256 1064105490 /nfs/dbraw/zinc/10/54/90/1064105490.db2.gz IOQWPZWBLNALOI-BDTNDASRSA-N 1 3 459.683 2.655 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001291579256 1064105501 /nfs/dbraw/zinc/10/55/01/1064105501.db2.gz IOQWPZWBLNALOI-BDTNDASRSA-N 1 3 459.683 2.655 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620523 1064159943 /nfs/dbraw/zinc/15/99/43/1064159943.db2.gz JWCKOQONOFTNBH-YYDVJCTNSA-N 1 3 450.697 2.918 20 0 JFADHO CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001296183293 1064327774 /nfs/dbraw/zinc/32/77/74/1064327774.db2.gz CUYOKXBHFSBCJP-ISJGIBHGSA-N 1 3 488.769 2.670 20 0 JFADHO CC[C@H](Cn1c(C(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292162059 1064946881 /nfs/dbraw/zinc/94/68/81/1064946881.db2.gz IBDXXAPMTMFLCA-WWNPGLIZSA-N 1 3 459.683 2.655 20 0 JFADHO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)CC2)[NH+](C)C)cc1 ZINC001292458444 1065181580 /nfs/dbraw/zinc/18/15/80/1065181580.db2.gz OWZUCTHQVIQGQN-GOTSBHOMSA-N 1 3 467.662 2.873 20 0 JFADHO CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292894370 1065596081 /nfs/dbraw/zinc/59/60/81/1065596081.db2.gz XGNUJDGLIJFDTG-HYVLGVRCSA-N 1 3 487.737 2.976 20 0 JFADHO CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292894370 1065596091 /nfs/dbraw/zinc/59/60/91/1065596091.db2.gz XGNUJDGLIJFDTG-HYVLGVRCSA-N 1 3 487.737 2.976 20 0 JFADHO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)CCN1CCOC ZINC001294076363 1066545564 /nfs/dbraw/zinc/54/55/64/1066545564.db2.gz JANBRLQHCVUQBL-NRFANRHFSA-N 1 3 470.666 2.937 20 0 JFADHO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001294082146 1066550628 /nfs/dbraw/zinc/55/06/28/1066550628.db2.gz PWPZSHRCDYIYBQ-DHIUTWEWSA-N 1 3 462.683 2.841 20 0 JFADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c21 ZINC001164389568 718824192 /nfs/dbraw/zinc/82/41/92/718824192.db2.gz IQVQGPFTJSZOQC-WOJBJXKFSA-N 1 3 468.985 2.964 20 0 JFADHO CC(C)N(c1ccc(CN(C)C2CC2)cn1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164688210 719686851 /nfs/dbraw/zinc/68/68/51/719686851.db2.gz XSCPASFWDIDQDA-UHFFFAOYSA-N 1 3 451.619 2.537 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@H]2C)CC1 ZINC001286868461 1061256606 /nfs/dbraw/zinc/25/66/06/1061256606.db2.gz AHWAWGBGQXQWCJ-IRLDBZIGSA-N 1 3 473.710 2.730 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C4CCCC4)n3CC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869103 1061260589 /nfs/dbraw/zinc/26/05/89/1061260589.db2.gz DVKNWLACNRBDIV-NFBKMPQASA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C4CCCC4)n3CC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869103 1061260607 /nfs/dbraw/zinc/26/06/07/1061260607.db2.gz DVKNWLACNRBDIV-NFBKMPQASA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@@H]2C)CC1 ZINC001286869523 1061262497 /nfs/dbraw/zinc/26/24/97/1061262497.db2.gz FJQNKPIIWPHLMM-UPVQGACJSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001286870296 1061265434 /nfs/dbraw/zinc/26/54/34/1061265434.db2.gz IPMUTQYBLQHSKQ-RCZVLFRGSA-N 1 3 496.704 2.838 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001286870292 1061265489 /nfs/dbraw/zinc/26/54/89/1061265489.db2.gz IPMUTQYBLQHSKQ-DHLKQENFSA-N 1 3 496.704 2.838 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871409 1061271437 /nfs/dbraw/zinc/27/14/37/1061271437.db2.gz NUZQKMZQVBQWRH-VWNXMTODSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871409 1061271455 /nfs/dbraw/zinc/27/14/55/1061271455.db2.gz NUZQKMZQVBQWRH-VWNXMTODSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286872943 1061282978 /nfs/dbraw/zinc/28/29/78/1061282978.db2.gz ZBEQSCABLBBEDM-ZPZUNKDASA-N 1 3 467.662 2.577 20 0 JFADHO CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001294513691 1062048230 /nfs/dbraw/zinc/04/82/30/1062048230.db2.gz ICSMEROONIROFX-QFIPXVFZSA-N 1 3 454.667 2.677 20 0 JFADHO CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001294513691 1062048252 /nfs/dbraw/zinc/04/82/52/1062048252.db2.gz ICSMEROONIROFX-QFIPXVFZSA-N 1 3 454.667 2.677 20 0 JFADHO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC001294684214 1062244277 /nfs/dbraw/zinc/24/42/77/1062244277.db2.gz UDHBEPPLZUAIBA-FGZHOGPDSA-N 1 3 494.750 2.859 20 0 JFADHO Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001290877394 1062762420 /nfs/dbraw/zinc/76/24/20/1062762420.db2.gz VRZCGRCMHYJMKH-DEOSSOPVSA-N 1 3 453.679 2.961 20 0 JFADHO Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001290877394 1062762444 /nfs/dbraw/zinc/76/24/44/1062762444.db2.gz VRZCGRCMHYJMKH-DEOSSOPVSA-N 1 3 453.679 2.961 20 0 JFADHO CC(C)C[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)(C)C)CC1)[NH+](C)C ZINC001287321281 1062797471 /nfs/dbraw/zinc/79/74/71/1062797471.db2.gz DPFMORPXAZPMEH-QFIPXVFZSA-N 1 3 480.665 2.818 20 0 JFADHO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001287335471 1062813260 /nfs/dbraw/zinc/81/32/60/1062813260.db2.gz VQYKDEXTUOTMIU-DNQXCXABSA-N 1 3 499.679 2.727 20 0 JFADHO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001287335472 1062813359 /nfs/dbraw/zinc/81/33/59/1062813359.db2.gz VQYKDEXTUOTMIU-RPWUZVMVSA-N 1 3 499.679 2.727 20 0 JFADHO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC001291068600 1063015967 /nfs/dbraw/zinc/01/59/67/1063015967.db2.gz QACBZBIHJIRERT-REHUZNOOSA-N 1 3 480.723 2.658 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287748655 1063072666 /nfs/dbraw/zinc/07/26/66/1063072666.db2.gz AVUGXRKIGSBSDP-OZXSUGGESA-N 1 3 492.709 2.598 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287748655 1063072684 /nfs/dbraw/zinc/07/26/84/1063072684.db2.gz AVUGXRKIGSBSDP-OZXSUGGESA-N 1 3 492.709 2.598 20 0 JFADHO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H](C)C2)CC1 ZINC001291126103 1063153175 /nfs/dbraw/zinc/15/31/75/1063153175.db2.gz GRGVZHJUVKOBSC-HXUWFJFHSA-N 1 3 454.623 2.578 20 0 JFADHO CC(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H](C)C2)CC1 ZINC001291126103 1063153181 /nfs/dbraw/zinc/15/31/81/1063153181.db2.gz GRGVZHJUVKOBSC-HXUWFJFHSA-N 1 3 454.623 2.578 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001295371006 1063336654 /nfs/dbraw/zinc/33/66/54/1063336654.db2.gz OFAMTJTWSHDFFZ-NHCUHLMSSA-N 1 3 456.635 2.843 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001295371008 1063337404 /nfs/dbraw/zinc/33/74/04/1063337404.db2.gz OFAMTJTWSHDFFZ-SFTDATJTSA-N 1 3 456.635 2.843 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390305 1063369621 /nfs/dbraw/zinc/36/96/21/1063369621.db2.gz NICRYVIDMPGTLD-UFPGJGBJSA-N 1 3 492.709 2.739 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001295482249 1063497950 /nfs/dbraw/zinc/49/79/50/1063497950.db2.gz HAAXRJYWVIUCJB-SANMLTNESA-N 1 3 499.729 2.681 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295482605 1063503662 /nfs/dbraw/zinc/50/36/62/1063503662.db2.gz USQMUMFMIWMSEZ-UHFFFAOYSA-N 1 3 467.662 2.812 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295483842 1063509278 /nfs/dbraw/zinc/50/92/78/1063509278.db2.gz JDEMZRYKBDMMRX-UHFFFAOYSA-N 1 3 496.704 2.761 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295483842 1063509300 /nfs/dbraw/zinc/50/93/00/1063509300.db2.gz JDEMZRYKBDMMRX-UHFFFAOYSA-N 1 3 496.704 2.761 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295484688 1063511822 /nfs/dbraw/zinc/51/18/22/1063511822.db2.gz QJOCERSUBMJMNO-JOCHJYFZSA-N 1 3 489.709 2.632 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295484688 1063511839 /nfs/dbraw/zinc/51/18/39/1063511839.db2.gz QJOCERSUBMJMNO-JOCHJYFZSA-N 1 3 489.709 2.632 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295484689 1063512094 /nfs/dbraw/zinc/51/20/94/1063512094.db2.gz QJOCERSUBMJMNO-QFIPXVFZSA-N 1 3 489.709 2.632 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295484689 1063512114 /nfs/dbraw/zinc/51/21/14/1063512114.db2.gz QJOCERSUBMJMNO-QFIPXVFZSA-N 1 3 489.709 2.632 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295484757 1063513224 /nfs/dbraw/zinc/51/32/24/1063513224.db2.gz RKAIXMLAZBFUDM-FQEVSTJZSA-N 1 3 494.644 2.541 20 0 JFADHO CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(C)C ZINC001295825405 1063834833 /nfs/dbraw/zinc/83/48/33/1063834833.db2.gz XPNOKUWVJLPQQX-OAQYLSRUSA-N 1 3 456.635 2.843 20 0 JFADHO CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(C)C ZINC001295825405 1063834843 /nfs/dbraw/zinc/83/48/43/1063834843.db2.gz XPNOKUWVJLPQQX-OAQYLSRUSA-N 1 3 456.635 2.843 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001295975242 1064018824 /nfs/dbraw/zinc/01/88/24/1064018824.db2.gz BHYDVERGVCEFJD-PMACEKPBSA-N 1 3 454.623 2.720 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001295978634 1064026136 /nfs/dbraw/zinc/02/61/36/1064026136.db2.gz MXKOKQWMUSEGHX-HSALFYBXSA-N 1 3 456.639 2.821 20 0 JFADHO CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001291471086 1064032870 /nfs/dbraw/zinc/03/28/70/1064032870.db2.gz YVLQUVHDBVEFBG-VCHRRKICSA-N 1 3 473.710 2.902 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001295982508 1064035573 /nfs/dbraw/zinc/03/55/73/1064035573.db2.gz UGFFEHVDZNRGCF-MDAIXWLXSA-N 1 3 450.672 2.968 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001295986254 1064042935 /nfs/dbraw/zinc/04/29/35/1064042935.db2.gz UXJSGCSMIHNOFQ-UXHICEINSA-N 1 3 451.619 2.990 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001295986259 1064043022 /nfs/dbraw/zinc/04/30/22/1064043022.db2.gz UXJSGCSMIHNOFQ-WOJBJXKFSA-N 1 3 451.619 2.990 20 0 JFADHO CC[C@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291502304 1064052742 /nfs/dbraw/zinc/05/27/42/1064052742.db2.gz FGMJORGZYADKFI-CVDCTZTESA-N 1 3 450.697 2.778 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001296011281 1064070729 /nfs/dbraw/zinc/07/07/29/1064070729.db2.gz UVDIKBFTZPTEDQ-URVUXULASA-N 1 3 459.683 2.830 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001296011470 1064071734 /nfs/dbraw/zinc/07/17/34/1064071734.db2.gz PNPQAZTWYBDXQL-VXKWHMMOSA-N 1 3 486.709 2.948 20 0 JFADHO CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001296025179 1064085317 /nfs/dbraw/zinc/08/53/17/1064085317.db2.gz NQWWKPQSSKOMDU-QFIPXVFZSA-N 1 3 473.710 2.732 20 0 JFADHO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1 ZINC001291640339 1064189514 /nfs/dbraw/zinc/18/95/14/1064189514.db2.gz DGZZXGAWNJQGDG-FLIBITNWSA-N 1 3 450.583 2.976 20 0 JFADHO CC[C@@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291782473 1064271098 /nfs/dbraw/zinc/27/10/98/1064271098.db2.gz PGPILCHCQHTZMV-ISKFKSNPSA-N 1 3 468.694 2.599 20 0 JFADHO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291782473 1064271107 /nfs/dbraw/zinc/27/11/07/1064271107.db2.gz PGPILCHCQHTZMV-ISKFKSNPSA-N 1 3 468.694 2.599 20 0 JFADHO CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183295 1064327567 /nfs/dbraw/zinc/32/75/67/1064327567.db2.gz CUYOKXBHFSBCJP-SDHSZQHLSA-N 1 3 488.769 2.670 20 0 JFADHO CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183295 1064327586 /nfs/dbraw/zinc/32/75/86/1064327586.db2.gz CUYOKXBHFSBCJP-SDHSZQHLSA-N 1 3 488.769 2.670 20 0 JFADHO CC(=O)c1cc(Br)ccc1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001292416983 1065150251 /nfs/dbraw/zinc/15/02/51/1065150251.db2.gz LYUXPTBLAUCCQF-UHFFFAOYSA-N 1 3 452.393 2.705 20 0 JFADHO CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893141 1065592595 /nfs/dbraw/zinc/59/25/95/1065592595.db2.gz LHSSXWWGVIHIAJ-DHLKQENFSA-N 1 3 487.737 2.978 20 0 JFADHO CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001292961269 1065642211 /nfs/dbraw/zinc/64/22/11/1065642211.db2.gz VZZLTLITCMPOPB-QHCPKHFHSA-N 1 3 456.635 2.701 20 0 JFADHO CCc1nnc(N2CCN(Cc3cccc(C)c3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293123855 1065776690 /nfs/dbraw/zinc/77/66/90/1065776690.db2.gz MMAHONCQQRBXOG-QHCPKHFHSA-N 1 3 453.679 2.745 20 0 JFADHO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)n3)C2)C1 ZINC001164784389 721361972 /nfs/dbraw/zinc/36/19/72/721361972.db2.gz RNKYHXUVQGZDJQ-RUZDIDTESA-N 1 3 454.619 2.733 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286871177 1061271276 /nfs/dbraw/zinc/27/12/76/1061271276.db2.gz MQDMVGAKDHAEKA-YMPZKCBVSA-N 1 3 475.726 2.931 20 0 JFADHO Cc1cccc(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001290073550 1061801675 /nfs/dbraw/zinc/80/16/75/1061801675.db2.gz JBGUXCGBCGOYLN-OAQYLSRUSA-N 1 3 456.635 2.664 20 0 JFADHO CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001287032187 1061986394 /nfs/dbraw/zinc/98/63/94/1061986394.db2.gz JRBPDAGPOUXOOB-UHFFFAOYSA-N 1 3 473.710 2.733 20 0 JFADHO CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001287032187 1061986423 /nfs/dbraw/zinc/98/64/23/1061986423.db2.gz JRBPDAGPOUXOOB-UHFFFAOYSA-N 1 3 473.710 2.733 20 0 JFADHO CCC[N@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001294528566 1062064965 /nfs/dbraw/zinc/06/49/65/1062064965.db2.gz SRDMVWZXJVYLNR-UHFFFAOYSA-N 1 3 461.680 2.667 20 0 JFADHO CCC[N@@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001294528566 1062064989 /nfs/dbraw/zinc/06/49/89/1062064989.db2.gz SRDMVWZXJVYLNR-UHFFFAOYSA-N 1 3 461.680 2.667 20 0 JFADHO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC001294648759 1062189155 /nfs/dbraw/zinc/18/91/55/1062189155.db2.gz TZJZOFJMFLHJNZ-HSZRJFAPSA-N 1 3 481.689 2.976 20 0 JFADHO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC001294648759 1062189166 /nfs/dbraw/zinc/18/91/66/1062189166.db2.gz TZJZOFJMFLHJNZ-HSZRJFAPSA-N 1 3 481.689 2.976 20 0 JFADHO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294668797 1062224128 /nfs/dbraw/zinc/22/41/28/1062224128.db2.gz DCFUFGRIHIVYRT-DHLKQENFSA-N 1 3 462.683 2.829 20 0 JFADHO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294668797 1062224154 /nfs/dbraw/zinc/22/41/54/1062224154.db2.gz DCFUFGRIHIVYRT-DHLKQENFSA-N 1 3 462.683 2.829 20 0 JFADHO CC(C)Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001287374983 1062833167 /nfs/dbraw/zinc/83/31/67/1062833167.db2.gz RMMDJJQQDQUAQZ-UHFFFAOYSA-N 1 3 496.748 2.761 20 0 JFADHO CC(C)Cc1nnc(N(C)CCN2CCN(c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287374983 1062833188 /nfs/dbraw/zinc/83/31/88/1062833188.db2.gz RMMDJJQQDQUAQZ-UHFFFAOYSA-N 1 3 496.748 2.761 20 0 JFADHO CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001287457219 1062895921 /nfs/dbraw/zinc/89/59/21/1062895921.db2.gz SILJDGVYSTXVTN-OAQYLSRUSA-N 1 3 454.623 2.818 20 0 JFADHO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](c1ccco1)N(C)C ZINC001287457219 1062895937 /nfs/dbraw/zinc/89/59/37/1062895937.db2.gz SILJDGVYSTXVTN-OAQYLSRUSA-N 1 3 454.623 2.818 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001287463782 1062906620 /nfs/dbraw/zinc/90/66/20/1062906620.db2.gz DQGFZKPIYPUUKJ-QHCPKHFHSA-N 1 3 473.710 2.732 20 0 JFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291015042 1062925446 /nfs/dbraw/zinc/92/54/46/1062925446.db2.gz LXNYCOQFCKKGKE-SZPZYZBQSA-N 1 3 473.710 2.688 20 0 JFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291015042 1062925477 /nfs/dbraw/zinc/92/54/77/1062925477.db2.gz LXNYCOQFCKKGKE-SZPZYZBQSA-N 1 3 473.710 2.688 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001295363351 1063323917 /nfs/dbraw/zinc/32/39/17/1063323917.db2.gz VBVHDEHGLIUTFX-MSOLQXFVSA-N 1 3 494.482 2.925 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390304 1063369479 /nfs/dbraw/zinc/36/94/79/1063369479.db2.gz NICRYVIDMPGTLD-TVZXLZGTSA-N 1 3 492.709 2.739 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001295479639 1063488381 /nfs/dbraw/zinc/48/83/81/1063488381.db2.gz HHTHWQPHDDGNSK-NRFANRHFSA-N 1 3 461.699 2.831 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482670 1063504310 /nfs/dbraw/zinc/50/43/10/1063504310.db2.gz XAVKJJFXCDOBFW-JOCHJYFZSA-N 1 3 497.688 2.676 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482670 1063504327 /nfs/dbraw/zinc/50/43/27/1063504327.db2.gz XAVKJJFXCDOBFW-JOCHJYFZSA-N 1 3 497.688 2.676 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001295484273 1063509927 /nfs/dbraw/zinc/50/99/27/1063509927.db2.gz KPIIMWAGEKURNX-UHFFFAOYSA-N 1 3 470.666 2.528 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001295490697 1063517885 /nfs/dbraw/zinc/51/78/85/1063517885.db2.gz FLIHCVUIINBJTH-QHCPKHFHSA-N 1 3 495.716 2.914 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001295490697 1063517902 /nfs/dbraw/zinc/51/79/02/1063517902.db2.gz FLIHCVUIINBJTH-QHCPKHFHSA-N 1 3 495.716 2.914 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295491211 1063521810 /nfs/dbraw/zinc/52/18/10/1063521810.db2.gz QNNPARCWCQDHGO-XZOQPEGZSA-N 1 3 489.709 2.631 20 0 JFADHO CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001295502138 1063535991 /nfs/dbraw/zinc/53/59/91/1063535991.db2.gz ARWXZMPTBZREAE-NHCUHLMSSA-N 1 3 468.650 2.968 20 0 JFADHO C[C@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)CCCO1 ZINC001291292683 1063677631 /nfs/dbraw/zinc/67/76/31/1063677631.db2.gz IAJFFXBBLJXDCH-VXKWHMMOSA-N 1 3 462.683 2.526 20 0 JFADHO C[C@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)CCCO1 ZINC001291292683 1063677641 /nfs/dbraw/zinc/67/76/41/1063677641.db2.gz IAJFFXBBLJXDCH-VXKWHMMOSA-N 1 3 462.683 2.526 20 0 JFADHO CC[NH+]1CCC(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001296031614 1064089693 /nfs/dbraw/zinc/08/96/93/1064089693.db2.gz XYBTUMBISLRUGN-GOTSBHOMSA-N 1 3 462.683 2.902 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001291579264 1064105432 /nfs/dbraw/zinc/10/54/32/1064105432.db2.gz IOQWPZWBLNALOI-FKBYEOEOSA-N 1 3 459.683 2.655 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001291579264 1064105439 /nfs/dbraw/zinc/10/54/39/1064105439.db2.gz IOQWPZWBLNALOI-FKBYEOEOSA-N 1 3 459.683 2.655 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001291582835 1064114937 /nfs/dbraw/zinc/11/49/37/1064114937.db2.gz MTLOLDRGGADDGC-NRFANRHFSA-N 1 3 459.683 2.801 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291582835 1064114943 /nfs/dbraw/zinc/11/49/43/1064114943.db2.gz MTLOLDRGGADDGC-NRFANRHFSA-N 1 3 459.683 2.801 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620516 1064159293 /nfs/dbraw/zinc/15/92/93/1064159293.db2.gz JWCKOQONOFTNBH-PWHSHALESA-N 1 3 450.697 2.918 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620511 1064159369 /nfs/dbraw/zinc/15/93/69/1064159369.db2.gz JWCKOQONOFTNBH-DNVFCKCGSA-N 1 3 450.697 2.918 20 0 JFADHO CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181850 1064318388 /nfs/dbraw/zinc/31/83/88/1064318388.db2.gz FLLICMMMARYFAI-FYYLOGMGSA-N 1 3 471.669 2.955 20 0 JFADHO CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001292892479 1065590211 /nfs/dbraw/zinc/59/02/11/1065590211.db2.gz DRRIKEGDLRNEJN-OFVILXPXSA-N 1 3 481.689 2.719 20 0 JFADHO CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001292892479 1065590222 /nfs/dbraw/zinc/59/02/22/1065590222.db2.gz DRRIKEGDLRNEJN-OFVILXPXSA-N 1 3 481.689 2.719 20 0 JFADHO CCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001293087362 1065736919 /nfs/dbraw/zinc/73/69/19/1065736919.db2.gz TVNRDSITXGWNIR-UHFFFAOYSA-N 1 3 481.689 2.865 20 0 JFADHO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CCN1CCOC ZINC001294076528 1066545869 /nfs/dbraw/zinc/54/58/69/1066545869.db2.gz KLVZHJLYZGPHBH-QFIPXVFZSA-N 1 3 472.682 2.880 20 0 JFADHO CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001294077446 1066546839 /nfs/dbraw/zinc/54/68/39/1066546839.db2.gz PFIBYCQWSTWTMS-XXBNENTESA-N 1 3 461.680 2.648 20 0 JFADHO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001294082149 1066550801 /nfs/dbraw/zinc/55/08/01/1066550801.db2.gz PWPZSHRCDYIYBQ-XZOQPEGZSA-N 1 3 462.683 2.841 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C4CCCC4)n3CC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869358 1061260327 /nfs/dbraw/zinc/26/03/27/1061260327.db2.gz DVKNWLACNRBDIV-NZQKXSOJSA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C4CCCC4)n3CC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869358 1061260347 /nfs/dbraw/zinc/26/03/47/1061260347.db2.gz DVKNWLACNRBDIV-NZQKXSOJSA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@H]2C)CC1 ZINC001286869527 1061262632 /nfs/dbraw/zinc/26/26/32/1061262632.db2.gz FJQNKPIIWPHLMM-VWNXMTODSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286871176 1061270398 /nfs/dbraw/zinc/27/03/98/1061270398.db2.gz MQDMVGAKDHAEKA-MDNUFGMLSA-N 1 3 475.726 2.931 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872780 1061280724 /nfs/dbraw/zinc/28/07/24/1061280724.db2.gz XWXRCYBBXLLCDB-NFBKMPQASA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872780 1061280747 /nfs/dbraw/zinc/28/07/47/1061280747.db2.gz XWXRCYBBXLLCDB-NFBKMPQASA-N 1 3 459.683 2.655 20 0 JFADHO CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001294515622 1062052368 /nfs/dbraw/zinc/05/23/68/1062052368.db2.gz IRZLMIWEVAOHTM-QFIPXVFZSA-N 1 3 454.667 2.597 20 0 JFADHO CCC[N@@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001294515622 1062052392 /nfs/dbraw/zinc/05/23/92/1062052392.db2.gz IRZLMIWEVAOHTM-QFIPXVFZSA-N 1 3 454.667 2.597 20 0 JFADHO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294668800 1062224225 /nfs/dbraw/zinc/22/42/25/1062224225.db2.gz DCFUFGRIHIVYRT-WIOPSUGQSA-N 1 3 462.683 2.829 20 0 JFADHO CCC[N@H+]1CC[C@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294668800 1062224234 /nfs/dbraw/zinc/22/42/34/1062224234.db2.gz DCFUFGRIHIVYRT-WIOPSUGQSA-N 1 3 462.683 2.829 20 0 JFADHO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294668799 1062224788 /nfs/dbraw/zinc/22/47/88/1062224788.db2.gz DCFUFGRIHIVYRT-RDGATRHJSA-N 1 3 462.683 2.829 20 0 JFADHO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294668799 1062224806 /nfs/dbraw/zinc/22/48/06/1062224806.db2.gz DCFUFGRIHIVYRT-RDGATRHJSA-N 1 3 462.683 2.829 20 0 JFADHO C[C@H]1C[C@H](C)C[NH+](CCCn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291015043 1062924961 /nfs/dbraw/zinc/92/49/61/1062924961.db2.gz LXNYCOQFCKKGKE-VXKWHMMOSA-N 1 3 473.710 2.688 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[N@H+](C)CC)c2)C[C@@H]1C ZINC001295126305 1062940647 /nfs/dbraw/zinc/94/06/47/1062940647.db2.gz DVLXDTGATVOPRL-LEWJYISDSA-N 1 3 467.662 2.933 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[N@@H+](C)CC)c2)C[C@@H]1C ZINC001295126305 1062940671 /nfs/dbraw/zinc/94/06/71/1062940671.db2.gz DVLXDTGATVOPRL-LEWJYISDSA-N 1 3 467.662 2.933 20 0 JFADHO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291103395 1063080775 /nfs/dbraw/zinc/08/07/75/1063080775.db2.gz DALJJMJSGYXNMY-OAQYLSRUSA-N 1 3 473.710 2.831 20 0 JFADHO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291103395 1063080792 /nfs/dbraw/zinc/08/07/92/1063080792.db2.gz DALJJMJSGYXNMY-OAQYLSRUSA-N 1 3 473.710 2.831 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287762958 1063089477 /nfs/dbraw/zinc/08/94/77/1063089477.db2.gz XDFYWEVCPBDUMY-UHFFFAOYSA-N 1 3 466.634 2.960 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287770458 1063097516 /nfs/dbraw/zinc/09/75/16/1063097516.db2.gz UIOARFBUDUYXSZ-IFMALSPDSA-N 1 3 453.635 2.528 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287770458 1063097535 /nfs/dbraw/zinc/09/75/35/1063097535.db2.gz UIOARFBUDUYXSZ-IFMALSPDSA-N 1 3 453.635 2.528 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287770461 1063097860 /nfs/dbraw/zinc/09/78/60/1063097860.db2.gz UIOARFBUDUYXSZ-UNMCSNQZSA-N 1 3 453.635 2.528 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287770461 1063097880 /nfs/dbraw/zinc/09/78/80/1063097880.db2.gz UIOARFBUDUYXSZ-UNMCSNQZSA-N 1 3 453.635 2.528 20 0 JFADHO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181882 1063276868 /nfs/dbraw/zinc/27/68/68/1063276868.db2.gz VXXFEBZNMJAXNC-OAQYLSRUSA-N 1 3 497.754 2.569 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001295359508 1063320743 /nfs/dbraw/zinc/32/07/43/1063320743.db2.gz ZQXUOXILCAJIDL-OAQYLSRUSA-N 1 3 455.651 2.859 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001295367027 1063330910 /nfs/dbraw/zinc/33/09/10/1063330910.db2.gz RVYVTCGWCWRPIH-AABGKKOBSA-N 1 3 476.691 2.998 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001295482480 1063501700 /nfs/dbraw/zinc/50/17/00/1063501700.db2.gz PUPNOXFPHQBUTQ-UHFFFAOYSA-N 1 3 482.677 2.595 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001295482480 1063501717 /nfs/dbraw/zinc/50/17/17/1063501717.db2.gz PUPNOXFPHQBUTQ-UHFFFAOYSA-N 1 3 482.677 2.595 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001295482601 1063503000 /nfs/dbraw/zinc/50/30/00/1063503000.db2.gz URYPQQYGCPPPOX-AMGIVPHBSA-N 1 3 496.704 2.841 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295482671 1063504255 /nfs/dbraw/zinc/50/42/55/1063504255.db2.gz XAVKJJFXCDOBFW-QFIPXVFZSA-N 1 3 497.688 2.676 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295482671 1063504265 /nfs/dbraw/zinc/50/42/65/1063504265.db2.gz XAVKJJFXCDOBFW-QFIPXVFZSA-N 1 3 497.688 2.676 20 0 JFADHO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001295487295 1063515578 /nfs/dbraw/zinc/51/55/78/1063515578.db2.gz JJRMFSXMIXOXDQ-UHFFFAOYSA-N 1 3 468.694 2.601 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001295490922 1063519472 /nfs/dbraw/zinc/51/94/72/1063519472.db2.gz JJTFRPWVGHBUEA-FGZHOGPDSA-N 1 3 487.737 2.978 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001295491042 1063520579 /nfs/dbraw/zinc/52/05/79/1063520579.db2.gz NSMGFPVIRSEIDC-HFZDXXHNSA-N 1 3 473.710 2.732 20 0 JFADHO CCN1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)C1 ZINC001295506328 1063543047 /nfs/dbraw/zinc/54/30/47/1063543047.db2.gz JTUNNRSPMCIBSA-NHCUHLMSSA-N 1 3 488.702 2.859 20 0 JFADHO C[C@@H]1C[N@H+](CCCn2c(N3CCN(CC4CCOCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294521 1063690549 /nfs/dbraw/zinc/69/05/49/1063690549.db2.gz KXTGFCLPVWFUDX-OAQYLSRUSA-N 1 3 462.683 2.625 20 0 JFADHO C[C@@H]1C[N@@H+](CCCn2c(N3CCN(CC4CCOCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294521 1063690555 /nfs/dbraw/zinc/69/05/55/1063690555.db2.gz KXTGFCLPVWFUDX-OAQYLSRUSA-N 1 3 462.683 2.625 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975795 1064020306 /nfs/dbraw/zinc/02/03/06/1064020306.db2.gz FDGZERBSORPMMC-WOJBJXKFSA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975795 1064020313 /nfs/dbraw/zinc/02/03/13/1064020313.db2.gz FDGZERBSORPMMC-WOJBJXKFSA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC001295977443 1064024015 /nfs/dbraw/zinc/02/40/15/1064024015.db2.gz KQMCRNFHULMJFC-UXHICEINSA-N 1 3 468.650 2.647 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001295978636 1064026178 /nfs/dbraw/zinc/02/61/78/1064026178.db2.gz MXKOKQWMUSEGHX-SLFFLAALSA-N 1 3 456.639 2.821 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001295982014 1064032552 /nfs/dbraw/zinc/03/25/52/1064032552.db2.gz VZHURBVXKRREFH-FKBYEOEOSA-N 1 3 459.683 2.945 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001295982014 1064032559 /nfs/dbraw/zinc/03/25/59/1064032559.db2.gz VZHURBVXKRREFH-FKBYEOEOSA-N 1 3 459.683 2.945 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001295996212 1064052320 /nfs/dbraw/zinc/05/23/20/1064052320.db2.gz NAHMRJHQBGLKNL-WOJBJXKFSA-N 1 3 466.634 2.586 20 0 JFADHO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CCC(C)(C)C)CC2)CC1 ZINC001296022395 1064083172 /nfs/dbraw/zinc/08/31/72/1064083172.db2.gz YNCPBYIYOLKCHN-HXUWFJFHSA-N 1 3 497.754 2.569 20 0 JFADHO CC[C@H](C)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291572788 1064099082 /nfs/dbraw/zinc/09/90/82/1064099082.db2.gz PBJHDEQKHOYFST-SGNDLWITSA-N 1 3 475.726 2.614 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291583289 1064116398 /nfs/dbraw/zinc/11/63/98/1064116398.db2.gz RCWRDMQZEHMPAB-FCHUYYIVSA-N 1 3 461.699 2.902 20 0 JFADHO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001296093677 1064165990 /nfs/dbraw/zinc/16/59/90/1064165990.db2.gz PVJQTJIDFOWSOG-NRFANRHFSA-N 1 3 459.683 2.833 20 0 JFADHO CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001296093677 1064165995 /nfs/dbraw/zinc/16/59/95/1064165995.db2.gz PVJQTJIDFOWSOG-NRFANRHFSA-N 1 3 459.683 2.833 20 0 JFADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291774024 1064261337 /nfs/dbraw/zinc/26/13/37/1064261337.db2.gz WQTZUZMBPOJHJX-LJQANCHMSA-N 1 3 480.661 2.843 20 0 JFADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291774024 1064261344 /nfs/dbraw/zinc/26/13/44/1064261344.db2.gz WQTZUZMBPOJHJX-LJQANCHMSA-N 1 3 480.661 2.843 20 0 JFADHO CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181852 1064318470 /nfs/dbraw/zinc/31/84/70/1064318470.db2.gz FLLICMMMARYFAI-GMAHTHKFSA-N 1 3 471.669 2.955 20 0 JFADHO CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181851 1064318550 /nfs/dbraw/zinc/31/85/50/1064318550.db2.gz FLLICMMMARYFAI-GGAORHGYSA-N 1 3 471.669 2.955 20 0 JFADHO CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccsc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296182381 1064323253 /nfs/dbraw/zinc/32/32/53/1064323253.db2.gz RINFQFPNCQGUMX-IFMALSPDSA-N 1 3 459.708 2.877 20 0 JFADHO CCN1CC[NH+](CCCn2c(-c3ccccc3C)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001296207355 1064397973 /nfs/dbraw/zinc/39/79/73/1064397973.db2.gz YALPIEWVRHYIBZ-UHFFFAOYSA-N 1 3 483.705 2.828 20 0 JFADHO CC[NH+]1CCN(CCCn2c(-c3ccccc3C)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001296207355 1064397979 /nfs/dbraw/zinc/39/79/79/1064397979.db2.gz YALPIEWVRHYIBZ-UHFFFAOYSA-N 1 3 483.705 2.828 20 0 JFADHO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCN1CCCC1 ZINC001292055447 1064724322 /nfs/dbraw/zinc/72/43/22/1064724322.db2.gz LHEVQPKVBLNPQI-OYRHEFFESA-N 1 3 489.709 2.618 20 0 JFADHO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCN1CCCC1 ZINC001292055447 1064724336 /nfs/dbraw/zinc/72/43/36/1064724336.db2.gz LHEVQPKVBLNPQI-OYRHEFFESA-N 1 3 489.709 2.618 20 0 JFADHO CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292894368 1065596019 /nfs/dbraw/zinc/59/60/19/1065596019.db2.gz XGNUJDGLIJFDTG-GRSYGWAWSA-N 1 3 487.737 2.976 20 0 JFADHO Cc1nc(N(C)C)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680667 719658105 /nfs/dbraw/zinc/65/81/05/719658105.db2.gz HDXHPSHFSOBUGQ-HXUWFJFHSA-N 1 3 450.631 2.944 20 0 JFADHO Cc1nc(N(C)C)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680662 719658720 /nfs/dbraw/zinc/65/87/20/719658720.db2.gz HDXHPSHFSOBUGQ-FQEVSTJZSA-N 1 3 450.631 2.944 20 0 JFADHO COC(=O)c1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164754579 720876457 /nfs/dbraw/zinc/87/64/57/720876457.db2.gz SBGZXPKJRXSEQY-FQRUVTKNSA-N 1 3 476.581 2.846 20 0 JFADHO COC(=O)c1cc2c(ncnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164754579 720876461 /nfs/dbraw/zinc/87/64/61/720876461.db2.gz SBGZXPKJRXSEQY-FQRUVTKNSA-N 1 3 476.581 2.846 20 0 JFADHO Cc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001289595808 1061239335 /nfs/dbraw/zinc/23/93/35/1061239335.db2.gz RLQHOQCNSIVAAE-OAQYLSRUSA-N 1 3 471.650 2.708 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@H]2C)CC1 ZINC001286868459 1061256749 /nfs/dbraw/zinc/25/67/49/1061256749.db2.gz AHWAWGBGQXQWCJ-IFMALSPDSA-N 1 3 473.710 2.730 20 0 JFADHO Cc1ccc(NC(=O)c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001289742894 1061359032 /nfs/dbraw/zinc/35/90/32/1061359032.db2.gz HDOLATIWZYXRCK-JOCHJYFZSA-N 1 3 497.688 2.894 20 0 JFADHO Cc1cccc(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001290073548 1061801571 /nfs/dbraw/zinc/80/15/71/1061801571.db2.gz JBGUXCGBCGOYLN-NRFANRHFSA-N 1 3 456.635 2.664 20 0 JFADHO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294668798 1062224030 /nfs/dbraw/zinc/22/40/30/1062224030.db2.gz DCFUFGRIHIVYRT-RCZVLFRGSA-N 1 3 462.683 2.829 20 0 JFADHO CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294668798 1062224053 /nfs/dbraw/zinc/22/40/53/1062224053.db2.gz DCFUFGRIHIVYRT-RCZVLFRGSA-N 1 3 462.683 2.829 20 0 JFADHO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290628200 1062501130 /nfs/dbraw/zinc/50/11/30/1062501130.db2.gz JYGALELNARYIMN-RUZDIDTESA-N 1 3 499.752 2.863 20 0 JFADHO CN1CCN(CCCNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714907 /nfs/dbraw/zinc/71/49/07/1062714907.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 1 3 450.627 2.509 20 0 JFADHO CN1CCN(CCCNC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714928 /nfs/dbraw/zinc/71/49/28/1062714928.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 1 3 450.627 2.509 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001287463163 1062905054 /nfs/dbraw/zinc/90/50/54/1062905054.db2.gz WIAAIBGWFSPXBZ-UFPGJGBJSA-N 1 3 473.710 2.730 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001287463780 1062906740 /nfs/dbraw/zinc/90/67/40/1062906740.db2.gz DQGFZKPIYPUUKJ-HSZRJFAPSA-N 1 3 473.710 2.732 20 0 JFADHO CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001287740665 1063066198 /nfs/dbraw/zinc/06/61/98/1063066198.db2.gz ICCZEOGEFAKMCP-UHFFFAOYSA-N 1 3 468.650 2.968 20 0 JFADHO CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001287740665 1063066223 /nfs/dbraw/zinc/06/62/23/1063066223.db2.gz ICCZEOGEFAKMCP-UHFFFAOYSA-N 1 3 468.650 2.968 20 0 JFADHO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001287742796 1063070218 /nfs/dbraw/zinc/07/02/18/1063070218.db2.gz XSFQXUKPXHISLZ-UHFFFAOYSA-N 1 3 467.662 2.838 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287748004 1063071565 /nfs/dbraw/zinc/07/15/65/1063071565.db2.gz CYMUWXADPUXHQV-DEOSSOPVSA-N 1 3 450.672 2.685 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001287749130 1063073838 /nfs/dbraw/zinc/07/38/38/1063073838.db2.gz DVNHFYUBGDJXGF-RPWUZVMVSA-N 1 3 480.723 2.534 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001295367029 1063330962 /nfs/dbraw/zinc/33/09/62/1063330962.db2.gz RVYVTCGWCWRPIH-HSALFYBXSA-N 1 3 476.691 2.998 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001295388810 1063366514 /nfs/dbraw/zinc/36/65/14/1063366514.db2.gz KIMYTPNFRLEQHF-OAQYLSRUSA-N 1 3 455.651 2.543 20 0 JFADHO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 ZINC001295472204 1063476902 /nfs/dbraw/zinc/47/69/02/1063476902.db2.gz JBKNSMKMTIQBOR-LEWJYISDSA-N 1 3 480.723 2.611 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001295481301 1063492693 /nfs/dbraw/zinc/49/26/93/1063492693.db2.gz ULINSYRUUPDUBO-DHLKQENFSA-N 1 3 481.689 2.878 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295481301 1063492703 /nfs/dbraw/zinc/49/27/03/1063492703.db2.gz ULINSYRUUPDUBO-DHLKQENFSA-N 1 3 481.689 2.878 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295482687 1063504459 /nfs/dbraw/zinc/50/44/59/1063504459.db2.gz XQTYUZNZQYWRSK-QFIPXVFZSA-N 1 3 481.689 2.976 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295482687 1063504471 /nfs/dbraw/zinc/50/44/71/1063504471.db2.gz XQTYUZNZQYWRSK-QFIPXVFZSA-N 1 3 481.689 2.976 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001295490704 1063518714 /nfs/dbraw/zinc/51/87/14/1063518714.db2.gz FQUFVJAMDMZLAH-QHCPKHFHSA-N 1 3 481.689 2.510 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001295490704 1063518736 /nfs/dbraw/zinc/51/87/36/1063518736.db2.gz FQUFVJAMDMZLAH-QHCPKHFHSA-N 1 3 481.689 2.510 20 0 JFADHO CCN1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)C1 ZINC001295506327 1063543284 /nfs/dbraw/zinc/54/32/84/1063543284.db2.gz JTUNNRSPMCIBSA-LEWJYISDSA-N 1 3 488.702 2.859 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](CC)C(C)C)C[C@H]1C ZINC001295866297 1063900192 /nfs/dbraw/zinc/90/01/92/1063900192.db2.gz JVAQFKMYZBSYGH-MOPGFXCFSA-N 1 3 461.680 2.919 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+](CC)C(C)C)C[C@H]1C ZINC001295866297 1063900205 /nfs/dbraw/zinc/90/02/05/1063900205.db2.gz JVAQFKMYZBSYGH-MOPGFXCFSA-N 1 3 461.680 2.919 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001295981827 1064033726 /nfs/dbraw/zinc/03/37/26/1064033726.db2.gz BHEDQHXMGAZUQD-UXHICEINSA-N 1 3 486.661 2.992 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1C ZINC001295982509 1064035690 /nfs/dbraw/zinc/03/56/90/1064035690.db2.gz UGFFEHVDZNRGCF-XBJMDHIQSA-N 1 3 450.672 2.968 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296008821 1064062411 /nfs/dbraw/zinc/06/24/11/1064062411.db2.gz BPKRMYCXAWQLEG-UFYCRDLUSA-N 1 3 473.691 2.920 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296008821 1064062423 /nfs/dbraw/zinc/06/24/23/1064062423.db2.gz BPKRMYCXAWQLEG-UFYCRDLUSA-N 1 3 473.691 2.920 20 0 JFADHO CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CCC(C)(C)C)CC2)CC1 ZINC001296022394 1064083154 /nfs/dbraw/zinc/08/31/54/1064083154.db2.gz YNCPBYIYOLKCHN-FQEVSTJZSA-N 1 3 497.754 2.569 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291583291 1064116377 /nfs/dbraw/zinc/11/63/77/1064116377.db2.gz RCWRDMQZEHMPAB-VXKWHMMOSA-N 1 3 461.699 2.902 20 0 JFADHO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001291772877 1064256676 /nfs/dbraw/zinc/25/66/76/1064256676.db2.gz QLGUQMSPGYCRPK-FCHUYYIVSA-N 1 3 454.667 2.595 20 0 JFADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001291772877 1064256681 /nfs/dbraw/zinc/25/66/81/1064256681.db2.gz QLGUQMSPGYCRPK-FCHUYYIVSA-N 1 3 454.667 2.595 20 0 JFADHO CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291888805 1064513032 /nfs/dbraw/zinc/51/30/32/1064513032.db2.gz RGLZEQDUZHZWFK-RPWUZVMVSA-N 1 3 481.689 2.903 20 0 JFADHO CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291888805 1064513042 /nfs/dbraw/zinc/51/30/42/1064513042.db2.gz RGLZEQDUZHZWFK-RPWUZVMVSA-N 1 3 481.689 2.903 20 0 JFADHO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001292114386 1064827627 /nfs/dbraw/zinc/82/76/27/1064827627.db2.gz WVJIQYFFWIWWBS-UHFFFAOYSA-N 1 3 459.683 2.991 20 0 JFADHO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCN1CCCCC1 ZINC001292125936 1064872961 /nfs/dbraw/zinc/87/29/61/1064872961.db2.gz NBUWGGUFCGWWHO-FQEVSTJZSA-N 1 3 459.683 2.993 20 0 JFADHO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CCN1CCCCC1 ZINC001292125936 1064872976 /nfs/dbraw/zinc/87/29/76/1064872976.db2.gz NBUWGGUFCGWWHO-FQEVSTJZSA-N 1 3 459.683 2.993 20 0 JFADHO CCc1ccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)CC2)[NH+](C)C)cc1 ZINC001292458443 1065181551 /nfs/dbraw/zinc/18/15/51/1065181551.db2.gz OWZUCTHQVIQGQN-DHIUTWEWSA-N 1 3 467.662 2.873 20 0 JFADHO CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cc(F)ccc3N3CCN(C)CC3)CC2)CC1 ZINC001292649673 1065386998 /nfs/dbraw/zinc/38/69/98/1065386998.db2.gz CRIURHGBKFBINL-HXUWFJFHSA-N 1 3 459.654 2.951 20 0 JFADHO CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001292893444 1065594971 /nfs/dbraw/zinc/59/49/71/1065594971.db2.gz OBAMSMJCHNOMMM-WIOPSUGQSA-N 1 3 481.689 2.742 20 0 JFADHO CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001292893444 1065594983 /nfs/dbraw/zinc/59/49/83/1065594983.db2.gz OBAMSMJCHNOMMM-WIOPSUGQSA-N 1 3 481.689 2.742 20 0 JFADHO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293364368 1065968817 /nfs/dbraw/zinc/96/88/17/1065968817.db2.gz FMVAHZUFEAQYTH-HSZRJFAPSA-N 1 3 482.677 2.595 20 0 JFADHO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293364368 1065968826 /nfs/dbraw/zinc/96/88/26/1065968826.db2.gz FMVAHZUFEAQYTH-HSZRJFAPSA-N 1 3 482.677 2.595 20 0 JFADHO CCC[C@H]1CN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1CCOC ZINC001294061311 1066533488 /nfs/dbraw/zinc/53/34/88/1066533488.db2.gz QGHASYIJLCQNOX-DEOSSOPVSA-N 1 3 470.662 2.529 20 0 JFADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4[NH2+]CCO[C@H]4C3)c21 ZINC001164389566 718824162 /nfs/dbraw/zinc/82/41/62/718824162.db2.gz IQVQGPFTJSZOQC-UXHICEINSA-N 1 3 468.985 2.964 20 0 JFADHO CN1CCN(c2cccc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n2)CC1 ZINC001164681884 719673558 /nfs/dbraw/zinc/67/35/58/719673558.db2.gz OAPRBKILVPGGHR-HSZRJFAPSA-N 1 3 490.696 2.927 20 0 JFADHO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)n3)C2)C1 ZINC001164784395 721362166 /nfs/dbraw/zinc/36/21/66/721362166.db2.gz RNKYHXUVQGZDJQ-VWLOTQADSA-N 1 3 454.619 2.733 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872783 1061281355 /nfs/dbraw/zinc/28/13/55/1061281355.db2.gz XWXRCYBBXLLCDB-REWPJTCUSA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872783 1061281374 /nfs/dbraw/zinc/28/13/74/1061281374.db2.gz XWXRCYBBXLLCDB-REWPJTCUSA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286872942 1061283071 /nfs/dbraw/zinc/28/30/71/1061283071.db2.gz ZBEQSCABLBBEDM-NIJXNBFTSA-N 1 3 467.662 2.577 20 0 JFADHO Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290071633 1061799221 /nfs/dbraw/zinc/79/92/21/1061799221.db2.gz QQCKBQOGIZAAJP-DEOSSOPVSA-N 1 3 497.688 2.639 20 0 JFADHO Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290071633 1061799233 /nfs/dbraw/zinc/79/92/33/1061799233.db2.gz QQCKBQOGIZAAJP-DEOSSOPVSA-N 1 3 497.688 2.639 20 0 JFADHO CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519890 1062055673 /nfs/dbraw/zinc/05/56/73/1062055673.db2.gz GTJXHJDUVMSBGB-GOTSBHOMSA-N 1 3 494.750 2.860 20 0 JFADHO CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519893 1062055890 /nfs/dbraw/zinc/05/58/90/1062055890.db2.gz GTJXHJDUVMSBGB-PKTZIBPZSA-N 1 3 494.750 2.860 20 0 JFADHO CCC[N@H+](CC)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001294523751 1062060572 /nfs/dbraw/zinc/06/05/72/1062060572.db2.gz XGDBQUDFNIRCIV-OAQYLSRUSA-N 1 3 455.651 2.685 20 0 JFADHO CCC[N@@H+](CC)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001294523751 1062060597 /nfs/dbraw/zinc/06/05/97/1062060597.db2.gz XGDBQUDFNIRCIV-OAQYLSRUSA-N 1 3 455.651 2.685 20 0 JFADHO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC001294633090 1062142357 /nfs/dbraw/zinc/14/23/57/1062142357.db2.gz LOFXLYMHYITOLW-RTWAWAEBSA-N 1 3 489.709 2.618 20 0 JFADHO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC001294633090 1062142363 /nfs/dbraw/zinc/14/23/63/1062142363.db2.gz LOFXLYMHYITOLW-RTWAWAEBSA-N 1 3 489.709 2.618 20 0 JFADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294696236 1062257692 /nfs/dbraw/zinc/25/76/92/1062257692.db2.gz DEKVLGLIVHTNMW-HSZRJFAPSA-N 1 3 496.704 2.903 20 0 JFADHO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294696236 1062257697 /nfs/dbraw/zinc/25/76/97/1062257697.db2.gz DEKVLGLIVHTNMW-HSZRJFAPSA-N 1 3 496.704 2.903 20 0 JFADHO Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290868501 1062752351 /nfs/dbraw/zinc/75/23/51/1062752351.db2.gz ZBRKGRVCOLUNQE-FQEVSTJZSA-N 1 3 493.697 2.513 20 0 JFADHO Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290868501 1062752375 /nfs/dbraw/zinc/75/23/75/1062752375.db2.gz ZBRKGRVCOLUNQE-FQEVSTJZSA-N 1 3 493.697 2.513 20 0 JFADHO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001287332190 1062809809 /nfs/dbraw/zinc/80/98/09/1062809809.db2.gz JFAQZLDNJDNLIE-ZJSXRUAMSA-N 1 3 469.678 2.930 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001287463161 1062904921 /nfs/dbraw/zinc/90/49/21/1062904921.db2.gz WIAAIBGWFSPXBZ-TVZXLZGTSA-N 1 3 473.710 2.730 20 0 JFADHO CC(C)CC[NH+]1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001287629047 1063009525 /nfs/dbraw/zinc/00/95/25/1063009525.db2.gz IEJXIGUEHYYBSH-HXUWFJFHSA-N 1 3 497.754 2.567 20 0 JFADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291100994 1063070527 /nfs/dbraw/zinc/07/05/27/1063070527.db2.gz LJAGLHZGPWBCSH-RTWAWAEBSA-N 1 3 489.709 2.616 20 0 JFADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291100994 1063070554 /nfs/dbraw/zinc/07/05/54/1063070554.db2.gz LJAGLHZGPWBCSH-RTWAWAEBSA-N 1 3 489.709 2.616 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001287749080 1063073185 /nfs/dbraw/zinc/07/31/85/1063073185.db2.gz DILGYFVIDBYRJF-RUZDIDTESA-N 1 3 462.683 2.971 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001287749080 1063073213 /nfs/dbraw/zinc/07/32/13/1063073213.db2.gz DILGYFVIDBYRJF-RUZDIDTESA-N 1 3 462.683 2.971 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287752516 1063080627 /nfs/dbraw/zinc/08/06/27/1063080627.db2.gz YIWPATKAYIXOLR-UHFFFAOYSA-N 1 3 476.691 2.714 20 0 JFADHO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)CN(C)C)CC1 ZINC001287752516 1063080653 /nfs/dbraw/zinc/08/06/53/1063080653.db2.gz YIWPATKAYIXOLR-UHFFFAOYSA-N 1 3 476.691 2.714 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001295367028 1063331055 /nfs/dbraw/zinc/33/10/55/1063331055.db2.gz RVYVTCGWCWRPIH-AQNXPRMDSA-N 1 3 476.691 2.998 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001295481303 1063492505 /nfs/dbraw/zinc/49/25/05/1063492505.db2.gz ULINSYRUUPDUBO-RDGATRHJSA-N 1 3 481.689 2.878 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295481303 1063492518 /nfs/dbraw/zinc/49/25/18/1063492518.db2.gz ULINSYRUUPDUBO-RDGATRHJSA-N 1 3 481.689 2.878 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001295481302 1063492561 /nfs/dbraw/zinc/49/25/61/1063492561.db2.gz ULINSYRUUPDUBO-RCZVLFRGSA-N 1 3 481.689 2.878 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295481302 1063492572 /nfs/dbraw/zinc/49/25/72/1063492572.db2.gz ULINSYRUUPDUBO-RCZVLFRGSA-N 1 3 481.689 2.878 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001295482602 1063502842 /nfs/dbraw/zinc/50/28/42/1063502842.db2.gz URYPQQYGCPPPOX-CUNXSJBXSA-N 1 3 496.704 2.841 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295482610 1063503707 /nfs/dbraw/zinc/50/37/07/1063503707.db2.gz UYCMXRMFJBVNSK-QFIPXVFZSA-N 1 3 496.704 2.841 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295482610 1063503722 /nfs/dbraw/zinc/50/37/22/1063503722.db2.gz UYCMXRMFJBVNSK-QFIPXVFZSA-N 1 3 496.704 2.841 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295482701 1063505114 /nfs/dbraw/zinc/50/51/14/1063505114.db2.gz XYHWMQNMZYCEIS-SFHVURJKSA-N 1 3 462.042 2.539 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCCCC2)CC1 ZINC001295484419 1063511153 /nfs/dbraw/zinc/51/11/53/1063511153.db2.gz NINWOTHLXLSCLS-UHFFFAOYSA-N 1 3 459.683 2.802 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295484945 1063513102 /nfs/dbraw/zinc/51/31/02/1063513102.db2.gz RQWIJLAOIIKGPV-QFIPXVFZSA-N 1 3 459.683 2.656 20 0 JFADHO CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)c1 ZINC001295494095 1063528455 /nfs/dbraw/zinc/52/84/55/1063528455.db2.gz YRKSZLIFQQJHAG-HFZDXXHNSA-N 1 3 481.689 2.856 20 0 JFADHO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001295523844 1063561196 /nfs/dbraw/zinc/56/11/96/1063561196.db2.gz ZZUWNUMHMNTHHZ-UHFFFAOYSA-N 1 3 467.662 2.958 20 0 JFADHO C[C@@H]1C[N@H+](CCCn2c(N(C)C3CCN(CCn4cccn4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295349 1063694340 /nfs/dbraw/zinc/69/43/40/1063694340.db2.gz YBEQJSRRTKPMGW-JOCHJYFZSA-N 1 3 486.709 2.874 20 0 JFADHO C[C@@H]1C[N@@H+](CCCn2c(N(C)C3CCN(CCn4cccn4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295349 1063694347 /nfs/dbraw/zinc/69/43/47/1063694347.db2.gz YBEQJSRRTKPMGW-JOCHJYFZSA-N 1 3 486.709 2.874 20 0 JFADHO CC[N@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(C)C ZINC001295825404 1063834683 /nfs/dbraw/zinc/83/46/83/1063834683.db2.gz XPNOKUWVJLPQQX-NRFANRHFSA-N 1 3 456.635 2.843 20 0 JFADHO CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(C)C ZINC001295825404 1063834704 /nfs/dbraw/zinc/83/47/04/1063834704.db2.gz XPNOKUWVJLPQQX-NRFANRHFSA-N 1 3 456.635 2.843 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001295975243 1064018714 /nfs/dbraw/zinc/01/87/14/1064018714.db2.gz BHYDVERGVCEFJD-UXHICEINSA-N 1 3 454.623 2.720 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295981033 1064031470 /nfs/dbraw/zinc/03/14/70/1064031470.db2.gz QNWXKOMCWFOFMW-TXVWBRJLSA-N 1 3 497.754 2.564 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295981033 1064031476 /nfs/dbraw/zinc/03/14/76/1064031476.db2.gz QNWXKOMCWFOFMW-TXVWBRJLSA-N 1 3 497.754 2.564 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001295990104 1064044975 /nfs/dbraw/zinc/04/49/75/1064044975.db2.gz DVFVJCFEEYLBES-UXHICEINSA-N 1 3 456.635 2.719 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001296030487 1064087968 /nfs/dbraw/zinc/08/79/68/1064087968.db2.gz DZRWWKWRZPLARF-UHFFFAOYSA-N 1 3 461.699 2.688 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291583290 1064116389 /nfs/dbraw/zinc/11/63/89/1064116389.db2.gz RCWRDMQZEHMPAB-FGZHOGPDSA-N 1 3 461.699 2.902 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001296123592 1064215713 /nfs/dbraw/zinc/21/57/13/1064215713.db2.gz CABJSKQTNGHUIF-JOCHJYFZSA-N 1 3 468.694 2.923 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001296123592 1064215723 /nfs/dbraw/zinc/21/57/23/1064215723.db2.gz CABJSKQTNGHUIF-JOCHJYFZSA-N 1 3 468.694 2.923 20 0 JFADHO CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181583 1064316207 /nfs/dbraw/zinc/31/62/07/1064316207.db2.gz YCANLLUHZWZZFK-YADHBBJMSA-N 1 3 454.667 2.595 20 0 JFADHO CCN1CCN([C@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181925 1064319864 /nfs/dbraw/zinc/31/98/64/1064319864.db2.gz HKOTUPGGHISRBT-QPPBQGQZSA-N 1 3 471.669 2.955 20 0 JFADHO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967940 1064583728 /nfs/dbraw/zinc/58/37/28/1064583728.db2.gz NSIOWXAWWBGTFZ-RRPUWOKSSA-N 1 3 462.683 2.838 20 0 JFADHO CCc1ccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)CC2)[NH+](C)C)cc1 ZINC001292458446 1065182226 /nfs/dbraw/zinc/18/22/26/1065182226.db2.gz OWZUCTHQVIQGQN-XZOQPEGZSA-N 1 3 467.662 2.873 20 0 JFADHO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001293116080 1065762511 /nfs/dbraw/zinc/76/25/11/1065762511.db2.gz JCYYEGZWFXTBKC-CVDCTZTESA-N 1 3 456.635 2.842 20 0 JFADHO CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001293116080 1065762526 /nfs/dbraw/zinc/76/25/26/1065762526.db2.gz JCYYEGZWFXTBKC-CVDCTZTESA-N 1 3 456.635 2.842 20 0 JFADHO COC(=O)c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164754576 720876314 /nfs/dbraw/zinc/87/63/14/720876314.db2.gz SBGZXPKJRXSEQY-FNZWTVRRSA-N 1 3 476.581 2.846 20 0 JFADHO COC(=O)c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164754576 720876316 /nfs/dbraw/zinc/87/63/16/720876316.db2.gz SBGZXPKJRXSEQY-FNZWTVRRSA-N 1 3 476.581 2.846 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C4CCCC4)n3CC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869368 1061260205 /nfs/dbraw/zinc/26/02/05/1061260205.db2.gz DVKNWLACNRBDIV-REWPJTCUSA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C4CCCC4)n3CC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869368 1061260225 /nfs/dbraw/zinc/26/02/25/1061260225.db2.gz DVKNWLACNRBDIV-REWPJTCUSA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871404 1061271111 /nfs/dbraw/zinc/27/11/11/1061271111.db2.gz NUZQKMZQVBQWRH-ISKFKSNPSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871404 1061271136 /nfs/dbraw/zinc/27/11/36/1061271136.db2.gz NUZQKMZQVBQWRH-ISKFKSNPSA-N 1 3 487.737 2.978 20 0 JFADHO CC(C)(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001287034959 1062000191 /nfs/dbraw/zinc/00/01/91/1062000191.db2.gz CGKBBEYCRXWIQS-HSZRJFAPSA-N 1 3 476.710 2.652 20 0 JFADHO CC(C)(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001287034959 1062000213 /nfs/dbraw/zinc/00/02/13/1062000213.db2.gz CGKBBEYCRXWIQS-HSZRJFAPSA-N 1 3 476.710 2.652 20 0 JFADHO CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519888 1062056108 /nfs/dbraw/zinc/05/61/08/1062056108.db2.gz GTJXHJDUVMSBGB-DHIUTWEWSA-N 1 3 494.750 2.860 20 0 JFADHO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC001294646355 1062175440 /nfs/dbraw/zinc/17/54/40/1062175440.db2.gz KFEWTSLHGFCSGE-NRFANRHFSA-N 1 3 471.650 2.569 20 0 JFADHO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC001294646355 1062175452 /nfs/dbraw/zinc/17/54/52/1062175452.db2.gz KFEWTSLHGFCSGE-NRFANRHFSA-N 1 3 471.650 2.569 20 0 JFADHO Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC001290432335 1062194147 /nfs/dbraw/zinc/19/41/47/1062194147.db2.gz MPTLXRXFKGSTFK-FQEVSTJZSA-N 1 3 475.707 2.913 20 0 JFADHO Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC001290432335 1062194159 /nfs/dbraw/zinc/19/41/59/1062194159.db2.gz MPTLXRXFKGSTFK-FQEVSTJZSA-N 1 3 475.707 2.913 20 0 JFADHO Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001290876886 1062761401 /nfs/dbraw/zinc/76/14/01/1062761401.db2.gz QFKPQQHEMYPWCZ-UHFFFAOYSA-N 1 3 453.679 2.963 20 0 JFADHO Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001290876886 1062761421 /nfs/dbraw/zinc/76/14/21/1062761421.db2.gz QFKPQQHEMYPWCZ-UHFFFAOYSA-N 1 3 453.679 2.963 20 0 JFADHO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)[NH+](C)C ZINC001287340022 1062817474 /nfs/dbraw/zinc/81/74/74/1062817474.db2.gz AOSXNUNWPLIFMC-RJGXRXQPSA-N 1 3 461.699 2.711 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[N@H+](C)CC)c2)C[C@H]1C ZINC001295126309 1062941297 /nfs/dbraw/zinc/94/12/97/1062941297.db2.gz DVLXDTGATVOPRL-RTWAWAEBSA-N 1 3 467.662 2.933 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[N@@H+](C)CC)c2)C[C@H]1C ZINC001295126309 1062941319 /nfs/dbraw/zinc/94/13/19/1062941319.db2.gz DVLXDTGATVOPRL-RTWAWAEBSA-N 1 3 467.662 2.933 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001287749083 1063073083 /nfs/dbraw/zinc/07/30/83/1063073083.db2.gz DILGYFVIDBYRJF-VWLOTQADSA-N 1 3 462.683 2.971 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001287749083 1063073109 /nfs/dbraw/zinc/07/31/09/1063073109.db2.gz DILGYFVIDBYRJF-VWLOTQADSA-N 1 3 462.683 2.971 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001287750879 1063075961 /nfs/dbraw/zinc/07/59/61/1063075961.db2.gz OOMQCUOXFUFZCS-JOCHJYFZSA-N 1 3 477.451 2.552 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001287750879 1063075984 /nfs/dbraw/zinc/07/59/84/1063075984.db2.gz OOMQCUOXFUFZCS-JOCHJYFZSA-N 1 3 477.451 2.552 20 0 JFADHO CC(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H](C)C2)CC1 ZINC001291126102 1063153354 /nfs/dbraw/zinc/15/33/54/1063153354.db2.gz GRGVZHJUVKOBSC-FQEVSTJZSA-N 1 3 454.623 2.578 20 0 JFADHO CC(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H](C)C2)CC1 ZINC001291126102 1063153366 /nfs/dbraw/zinc/15/33/66/1063153366.db2.gz GRGVZHJUVKOBSC-FQEVSTJZSA-N 1 3 454.623 2.578 20 0 JFADHO CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001291179638 1063268989 /nfs/dbraw/zinc/26/89/89/1063268989.db2.gz ISVKBBXYGHLZMN-JOCHJYFZSA-N 1 3 489.709 2.618 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCCC2)CC1 ZINC001295482275 1063499141 /nfs/dbraw/zinc/49/91/41/1063499141.db2.gz HRLRKFMFPSTXSG-UHFFFAOYSA-N 1 3 467.662 2.730 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482609 1063503495 /nfs/dbraw/zinc/50/34/95/1063503495.db2.gz UYCMXRMFJBVNSK-JOCHJYFZSA-N 1 3 496.704 2.841 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482609 1063503512 /nfs/dbraw/zinc/50/35/12/1063503512.db2.gz UYCMXRMFJBVNSK-JOCHJYFZSA-N 1 3 496.704 2.841 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001295490696 1063518075 /nfs/dbraw/zinc/51/80/75/1063518075.db2.gz FLIHCVUIINBJTH-HSZRJFAPSA-N 1 3 495.716 2.914 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001295490696 1063518092 /nfs/dbraw/zinc/51/80/92/1063518092.db2.gz FLIHCVUIINBJTH-HSZRJFAPSA-N 1 3 495.716 2.914 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001295491044 1063520721 /nfs/dbraw/zinc/52/07/21/1063520721.db2.gz NSMGFPVIRSEIDC-QFQXNSOFSA-N 1 3 473.710 2.732 20 0 JFADHO CCN1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)C1 ZINC001295506329 1063543090 /nfs/dbraw/zinc/54/30/90/1063543090.db2.gz JTUNNRSPMCIBSA-RTWAWAEBSA-N 1 3 488.702 2.859 20 0 JFADHO C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)CCCO1 ZINC001291292682 1063677518 /nfs/dbraw/zinc/67/75/18/1063677518.db2.gz IAJFFXBBLJXDCH-FGZHOGPDSA-N 1 3 462.683 2.526 20 0 JFADHO C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)CCCO1 ZINC001291292682 1063677526 /nfs/dbraw/zinc/67/75/26/1063677526.db2.gz IAJFFXBBLJXDCH-FGZHOGPDSA-N 1 3 462.683 2.526 20 0 JFADHO C[C@H]1C[N@H+](CCCn2c(N3CCN(CC4CCOCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294520 1063690414 /nfs/dbraw/zinc/69/04/14/1063690414.db2.gz KXTGFCLPVWFUDX-NRFANRHFSA-N 1 3 462.683 2.625 20 0 JFADHO C[C@H]1C[N@@H+](CCCn2c(N3CCN(CC4CCOCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294520 1063690420 /nfs/dbraw/zinc/69/04/20/1063690420.db2.gz KXTGFCLPVWFUDX-NRFANRHFSA-N 1 3 462.683 2.625 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC001295977440 1064023515 /nfs/dbraw/zinc/02/35/15/1064023515.db2.gz KQMCRNFHULMJFC-PMACEKPBSA-N 1 3 468.650 2.647 20 0 JFADHO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001291471084 1064033006 /nfs/dbraw/zinc/03/30/06/1064033006.db2.gz YVLQUVHDBVEFBG-GRSYGWAWSA-N 1 3 473.710 2.902 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001295982020 1064033290 /nfs/dbraw/zinc/03/32/90/1064033290.db2.gz VZHURBVXKRREFH-VSKRKVRLSA-N 1 3 459.683 2.945 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001295982020 1064033295 /nfs/dbraw/zinc/03/32/95/1064033295.db2.gz VZHURBVXKRREFH-VSKRKVRLSA-N 1 3 459.683 2.945 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001295986257 1064042979 /nfs/dbraw/zinc/04/29/79/1064042979.db2.gz UXJSGCSMIHNOFQ-VQTJNVASSA-N 1 3 451.619 2.990 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296003438 1064058881 /nfs/dbraw/zinc/05/88/81/1064058881.db2.gz UEWGTFFORHWLSD-YADHBBJMSA-N 1 3 454.663 2.943 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001296013854 1064075100 /nfs/dbraw/zinc/07/51/00/1064075100.db2.gz OUFKKQOBWFXDIH-ACRUOGEOSA-N 1 3 474.625 2.762 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001296013854 1064075111 /nfs/dbraw/zinc/07/51/11/1064075111.db2.gz OUFKKQOBWFXDIH-ACRUOGEOSA-N 1 3 474.625 2.762 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291583292 1064116659 /nfs/dbraw/zinc/11/66/59/1064116659.db2.gz RCWRDMQZEHMPAB-YADHBBJMSA-N 1 3 461.699 2.902 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620518 1064159957 /nfs/dbraw/zinc/15/99/57/1064159957.db2.gz JWCKOQONOFTNBH-SELNLUPBSA-N 1 3 450.697 2.918 20 0 JFADHO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001296093678 1064165960 /nfs/dbraw/zinc/16/59/60/1064165960.db2.gz PVJQTJIDFOWSOG-OAQYLSRUSA-N 1 3 459.683 2.833 20 0 JFADHO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001296093678 1064165968 /nfs/dbraw/zinc/16/59/68/1064165968.db2.gz PVJQTJIDFOWSOG-OAQYLSRUSA-N 1 3 459.683 2.833 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296127604 1064221631 /nfs/dbraw/zinc/22/16/31/1064221631.db2.gz VLLYVLBHAYYGBY-NRFANRHFSA-N 1 3 469.678 2.947 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296132227 1064228949 /nfs/dbraw/zinc/22/89/49/1064228949.db2.gz RYHRQAJAZKMLRE-NRFANRHFSA-N 1 3 459.708 2.877 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296132227 1064228992 /nfs/dbraw/zinc/22/89/92/1064228992.db2.gz RYHRQAJAZKMLRE-NRFANRHFSA-N 1 3 459.708 2.877 20 0 JFADHO CCN1CCN([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296181762 1064317724 /nfs/dbraw/zinc/31/77/24/1064317724.db2.gz CEFFUOPSAKPVBV-QHCPKHFHSA-N 1 3 488.750 2.969 20 0 JFADHO CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181853 1064319148 /nfs/dbraw/zinc/31/91/48/1064319148.db2.gz FLLICMMMARYFAI-JTHBVZDNSA-N 1 3 471.669 2.955 20 0 JFADHO CC[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)[NH+]1CCCC1 ZINC001292196868 1064988687 /nfs/dbraw/zinc/98/86/87/1064988687.db2.gz XWLXZQXEAYONPT-QHCPKHFHSA-N 1 3 467.662 2.810 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001292892480 1065590329 /nfs/dbraw/zinc/59/03/29/1065590329.db2.gz DRRIKEGDLRNEJN-PXDATVDWSA-N 1 3 481.689 2.719 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001292892480 1065590342 /nfs/dbraw/zinc/59/03/42/1065590342.db2.gz DRRIKEGDLRNEJN-PXDATVDWSA-N 1 3 481.689 2.719 20 0 JFADHO CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001292893441 1065594104 /nfs/dbraw/zinc/59/41/04/1065594104.db2.gz OBAMSMJCHNOMMM-DHLKQENFSA-N 1 3 481.689 2.742 20 0 JFADHO CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001292893441 1065594107 /nfs/dbraw/zinc/59/41/07/1065594107.db2.gz OBAMSMJCHNOMMM-DHLKQENFSA-N 1 3 481.689 2.742 20 0 JFADHO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CCN1CCOC ZINC001294076527 1066546039 /nfs/dbraw/zinc/54/60/39/1066546039.db2.gz KLVZHJLYZGPHBH-JOCHJYFZSA-N 1 3 472.682 2.880 20 0 JFADHO CC(C)N(C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681981 719631248 /nfs/dbraw/zinc/63/12/48/719631248.db2.gz KPRKTWGAIHCOIC-LJQANCHMSA-N 1 3 497.688 2.552 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@@H]2C)CC1 ZINC001286868463 1061257129 /nfs/dbraw/zinc/25/71/29/1061257129.db2.gz AHWAWGBGQXQWCJ-RBBKRZOGSA-N 1 3 473.710 2.730 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@@H]2C)CC1 ZINC001286869520 1061262703 /nfs/dbraw/zinc/26/27/03/1061262703.db2.gz FJQNKPIIWPHLMM-LADGPHEKSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001286869918 1061264629 /nfs/dbraw/zinc/26/46/29/1061264629.db2.gz GQKXPWKBXIUUTK-QZNHQXDQSA-N 1 3 459.683 2.512 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001286869918 1061264652 /nfs/dbraw/zinc/26/46/52/1061264652.db2.gz GQKXPWKBXIUUTK-QZNHQXDQSA-N 1 3 459.683 2.512 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871688 1061272916 /nfs/dbraw/zinc/27/29/16/1061272916.db2.gz OWEGEUNXBXUNJX-RBBKRZOGSA-N 1 3 461.699 2.685 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871688 1061272936 /nfs/dbraw/zinc/27/29/36/1061272936.db2.gz OWEGEUNXBXUNJX-RBBKRZOGSA-N 1 3 461.699 2.685 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871486 1061273165 /nfs/dbraw/zinc/27/31/65/1061273165.db2.gz OWEGEUNXBXUNJX-IFMALSPDSA-N 1 3 461.699 2.685 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871486 1061273184 /nfs/dbraw/zinc/27/31/84/1061273184.db2.gz OWEGEUNXBXUNJX-IFMALSPDSA-N 1 3 461.699 2.685 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872782 1061281080 /nfs/dbraw/zinc/28/10/80/1061281080.db2.gz XWXRCYBBXLLCDB-OFNKIYASSA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872782 1061281097 /nfs/dbraw/zinc/28/10/97/1061281097.db2.gz XWXRCYBBXLLCDB-OFNKIYASSA-N 1 3 459.683 2.655 20 0 JFADHO Cc1nc(Cc2nnc(N3CCC(CN4CCOCC4)CC3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001290416583 1062138683 /nfs/dbraw/zinc/13/86/83/1062138683.db2.gz BQWHHOPGZNSORN-UHFFFAOYSA-N 1 3 461.680 2.523 20 0 JFADHO Cc1nc(Cc2nnc(N3CCC(CN4CCOCC4)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290416583 1062138693 /nfs/dbraw/zinc/13/86/93/1062138693.db2.gz BQWHHOPGZNSORN-UHFFFAOYSA-N 1 3 461.680 2.523 20 0 JFADHO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001294631995 1062139124 /nfs/dbraw/zinc/13/91/24/1062139124.db2.gz DXMCEFKKGPJLJI-ORFBVSJDSA-N 1 3 459.683 2.849 20 0 JFADHO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001294631995 1062139136 /nfs/dbraw/zinc/13/91/36/1062139136.db2.gz DXMCEFKKGPJLJI-ORFBVSJDSA-N 1 3 459.683 2.849 20 0 JFADHO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC001294648760 1062190205 /nfs/dbraw/zinc/19/02/05/1062190205.db2.gz TZJZOFJMFLHJNZ-QHCPKHFHSA-N 1 3 481.689 2.976 20 0 JFADHO CCC[N@H+]1CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC001294648760 1062190208 /nfs/dbraw/zinc/19/02/08/1062190208.db2.gz TZJZOFJMFLHJNZ-QHCPKHFHSA-N 1 3 481.689 2.976 20 0 JFADHO Cc1nc(Cc2nnc(N3CCN(CC4CCOCC4)CC3)n2CCC[N@@H+](C)C(C)C)cs1 ZINC001290435579 1062205575 /nfs/dbraw/zinc/20/55/75/1062205575.db2.gz UZLYVQBTFPGFPJ-UHFFFAOYSA-N 1 3 475.707 2.913 20 0 JFADHO Cc1nc(Cc2nnc(N3CCN(CC4CCOCC4)CC3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001290435579 1062205591 /nfs/dbraw/zinc/20/55/91/1062205591.db2.gz UZLYVQBTFPGFPJ-UHFFFAOYSA-N 1 3 475.707 2.913 20 0 JFADHO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC001294693222 1062253260 /nfs/dbraw/zinc/25/32/60/1062253260.db2.gz OGRZNDQYFPKVFB-JTHBVZDNSA-N 1 3 461.699 2.714 20 0 JFADHO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294708071 1062273627 /nfs/dbraw/zinc/27/36/27/1062273627.db2.gz QPSDTGRRIPTDES-GOTSBHOMSA-N 1 3 489.709 2.775 20 0 JFADHO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294708071 1062273647 /nfs/dbraw/zinc/27/36/47/1062273647.db2.gz QPSDTGRRIPTDES-GOTSBHOMSA-N 1 3 489.709 2.775 20 0 JFADHO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[NH+](C)C ZINC001287335473 1062813980 /nfs/dbraw/zinc/81/39/80/1062813980.db2.gz VQYKDEXTUOTMIU-ZEQRLZLVSA-N 1 3 499.679 2.727 20 0 JFADHO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)[NH+](C)C ZINC001287340020 1062817567 /nfs/dbraw/zinc/81/75/67/1062817567.db2.gz AOSXNUNWPLIFMC-DNVJHFABSA-N 1 3 461.699 2.711 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287461762 1062899880 /nfs/dbraw/zinc/89/98/80/1062899880.db2.gz CARUNYMZHDMOPL-XPWALMASSA-N 1 3 487.737 2.976 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287461762 1062899901 /nfs/dbraw/zinc/89/99/01/1062899901.db2.gz CARUNYMZHDMOPL-XPWALMASSA-N 1 3 487.737 2.976 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001287749128 1063073261 /nfs/dbraw/zinc/07/32/61/1063073261.db2.gz DVNHFYUBGDJXGF-BJKOFHAPSA-N 1 3 480.723 2.534 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001287749132 1063073768 /nfs/dbraw/zinc/07/37/68/1063073768.db2.gz DVNHFYUBGDJXGF-ZEQRLZLVSA-N 1 3 480.723 2.534 20 0 JFADHO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291103394 1063080538 /nfs/dbraw/zinc/08/05/38/1063080538.db2.gz DALJJMJSGYXNMY-NRFANRHFSA-N 1 3 473.710 2.831 20 0 JFADHO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291103394 1063080564 /nfs/dbraw/zinc/08/05/64/1063080564.db2.gz DALJJMJSGYXNMY-NRFANRHFSA-N 1 3 473.710 2.831 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287770459 1063097605 /nfs/dbraw/zinc/09/76/05/1063097605.db2.gz UIOARFBUDUYXSZ-IRLDBZIGSA-N 1 3 453.635 2.528 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287770459 1063097628 /nfs/dbraw/zinc/09/76/28/1063097628.db2.gz UIOARFBUDUYXSZ-IRLDBZIGSA-N 1 3 453.635 2.528 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001295491043 1063520423 /nfs/dbraw/zinc/52/04/23/1063520423.db2.gz NSMGFPVIRSEIDC-LVXARBLLSA-N 1 3 473.710 2.732 20 0 JFADHO CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001295502137 1063535841 /nfs/dbraw/zinc/53/58/41/1063535841.db2.gz ARWXZMPTBZREAE-LEWJYISDSA-N 1 3 468.650 2.968 20 0 JFADHO CCN(CCn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1)CCC(F)(F)F ZINC001295838198 1063856708 /nfs/dbraw/zinc/85/67/08/1063856708.db2.gz HDAAYGALQLGXLS-UHFFFAOYSA-N 1 3 481.567 2.915 20 0 JFADHO CCN(CCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295842664 1063862724 /nfs/dbraw/zinc/86/27/24/1063862724.db2.gz ZYAIEIVNASPRSZ-GOSISDBHSA-N 1 3 498.598 2.642 20 0 JFADHO CCN(CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295842664 1063862740 /nfs/dbraw/zinc/86/27/40/1063862740.db2.gz ZYAIEIVNASPRSZ-GOSISDBHSA-N 1 3 498.598 2.642 20 0 JFADHO CC[N@H+](CCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868540 1063905080 /nfs/dbraw/zinc/90/50/80/1063905080.db2.gz PFYJBLPHAYFZEH-ATIYNZHBSA-N 1 3 492.709 2.739 20 0 JFADHO CC[N@@H+](CCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868540 1063905093 /nfs/dbraw/zinc/90/50/93/1063905093.db2.gz PFYJBLPHAYFZEH-ATIYNZHBSA-N 1 3 492.709 2.739 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001295975244 1064018644 /nfs/dbraw/zinc/01/86/44/1064018644.db2.gz BHYDVERGVCEFJD-VQTJNVASSA-N 1 3 454.623 2.720 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001295981034 1064031501 /nfs/dbraw/zinc/03/15/01/1064031501.db2.gz QNWXKOMCWFOFMW-XKRYSZRTSA-N 1 3 497.754 2.564 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001295981834 1064033651 /nfs/dbraw/zinc/03/36/51/1064033651.db2.gz BHEDQHXMGAZUQD-WOJBJXKFSA-N 1 3 486.661 2.992 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001295981831 1064033745 /nfs/dbraw/zinc/03/37/45/1064033745.db2.gz BHEDQHXMGAZUQD-VQTJNVASSA-N 1 3 486.661 2.992 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296008823 1064062681 /nfs/dbraw/zinc/06/26/81/1064062681.db2.gz BPKRMYCXAWQLEG-ZCNNSNEGSA-N 1 3 473.691 2.920 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296008823 1064062684 /nfs/dbraw/zinc/06/26/84/1064062684.db2.gz BPKRMYCXAWQLEG-ZCNNSNEGSA-N 1 3 473.691 2.920 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001296010431 1064068399 /nfs/dbraw/zinc/06/83/99/1064068399.db2.gz LDIKUNUOKFLBDO-KURKYZTESA-N 1 3 459.664 2.671 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001296010431 1064068407 /nfs/dbraw/zinc/06/84/07/1064068407.db2.gz LDIKUNUOKFLBDO-KURKYZTESA-N 1 3 459.664 2.671 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001296011471 1064071567 /nfs/dbraw/zinc/07/15/67/1064071567.db2.gz PNPQAZTWYBDXQL-YADHBBJMSA-N 1 3 486.709 2.948 20 0 JFADHO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCCCC3)CC2)CC1 ZINC001296017490 1064079570 /nfs/dbraw/zinc/07/95/70/1064079570.db2.gz GKRMEZKOSUWBAK-UHFFFAOYSA-N 1 3 459.683 2.993 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620520 1064159918 /nfs/dbraw/zinc/15/99/18/1064159918.db2.gz JWCKOQONOFTNBH-YCRNBWNJSA-N 1 3 450.697 2.918 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296131448 1064225863 /nfs/dbraw/zinc/22/58/63/1064225863.db2.gz KRMYWMGGAUBYHP-QFIPXVFZSA-N 1 3 471.669 2.955 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296131448 1064225873 /nfs/dbraw/zinc/22/58/73/1064225873.db2.gz KRMYWMGGAUBYHP-QFIPXVFZSA-N 1 3 471.669 2.955 20 0 JFADHO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)C)CC2)CC1 ZINC001296195212 1064359033 /nfs/dbraw/zinc/35/90/33/1064359033.db2.gz OVPDYVTWTAJBDJ-JOCHJYFZSA-N 1 3 499.704 2.766 20 0 JFADHO CCc1ccccc1OCc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001292614612 1065344946 /nfs/dbraw/zinc/34/49/46/1065344946.db2.gz GWCILQUONKDTBA-NRFANRHFSA-N 1 3 470.662 2.918 20 0 JFADHO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cc(F)ccc3N3CCN(C)CC3)CC2)CC1 ZINC001292649672 1065387057 /nfs/dbraw/zinc/38/70/57/1065387057.db2.gz CRIURHGBKFBINL-FQEVSTJZSA-N 1 3 459.654 2.951 20 0 JFADHO CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292894373 1065595928 /nfs/dbraw/zinc/59/59/28/1065595928.db2.gz XGNUJDGLIJFDTG-PIATZUFCSA-N 1 3 487.737 2.976 20 0 JFADHO CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001294077436 1066546375 /nfs/dbraw/zinc/54/63/75/1066546375.db2.gz PFIBYCQWSTWTMS-AUSIDOKSSA-N 1 3 461.680 2.648 20 0 JFADHO CN1CCN(Cc2cn3c(n2)CN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164794847 721511398 /nfs/dbraw/zinc/51/13/98/721511398.db2.gz XEHFNKYUOOOHTN-UHFFFAOYSA-N 1 3 457.626 2.604 20 0 JFADHO CN1CCN(Cc2cn3c(n2)CN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164794847 721511399 /nfs/dbraw/zinc/51/13/99/721511399.db2.gz XEHFNKYUOOOHTN-UHFFFAOYSA-N 1 3 457.626 2.604 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001286869915 1061263942 /nfs/dbraw/zinc/26/39/42/1061263942.db2.gz GQKXPWKBXIUUTK-FUPPJEDESA-N 1 3 459.683 2.512 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001286869915 1061263965 /nfs/dbraw/zinc/26/39/65/1061263965.db2.gz GQKXPWKBXIUUTK-FUPPJEDESA-N 1 3 459.683 2.512 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871487 1061273046 /nfs/dbraw/zinc/27/30/46/1061273046.db2.gz OWEGEUNXBXUNJX-IRLDBZIGSA-N 1 3 461.699 2.685 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871487 1061273067 /nfs/dbraw/zinc/27/30/67/1061273067.db2.gz OWEGEUNXBXUNJX-IRLDBZIGSA-N 1 3 461.699 2.685 20 0 JFADHO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 ZINC001294453820 1061999521 /nfs/dbraw/zinc/99/95/21/1061999521.db2.gz HVYNDJDRBUNZSI-OAQYLSRUSA-N 1 3 459.683 2.804 20 0 JFADHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 ZINC001294453820 1061999541 /nfs/dbraw/zinc/99/95/41/1061999541.db2.gz HVYNDJDRBUNZSI-OAQYLSRUSA-N 1 3 459.683 2.804 20 0 JFADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)C1 ZINC001294455289 1062001928 /nfs/dbraw/zinc/00/19/28/1062001928.db2.gz WDGDONYRGPETIQ-FQEVSTJZSA-N 1 3 454.623 2.579 20 0 JFADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)C1 ZINC001294455289 1062001953 /nfs/dbraw/zinc/00/19/53/1062001953.db2.gz WDGDONYRGPETIQ-FQEVSTJZSA-N 1 3 454.623 2.579 20 0 JFADHO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)C1 ZINC001294455290 1062002007 /nfs/dbraw/zinc/00/20/07/1062002007.db2.gz WDGDONYRGPETIQ-HXUWFJFHSA-N 1 3 454.623 2.579 20 0 JFADHO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)C1 ZINC001294455290 1062002026 /nfs/dbraw/zinc/00/20/26/1062002026.db2.gz WDGDONYRGPETIQ-HXUWFJFHSA-N 1 3 454.623 2.579 20 0 JFADHO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC001294646356 1062175249 /nfs/dbraw/zinc/17/52/49/1062175249.db2.gz KFEWTSLHGFCSGE-OAQYLSRUSA-N 1 3 471.650 2.569 20 0 JFADHO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC001294646356 1062175271 /nfs/dbraw/zinc/17/52/71/1062175271.db2.gz KFEWTSLHGFCSGE-OAQYLSRUSA-N 1 3 471.650 2.569 20 0 JFADHO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 ZINC001294693221 1062253167 /nfs/dbraw/zinc/25/31/67/1062253167.db2.gz OGRZNDQYFPKVFB-FYYLOGMGSA-N 1 3 461.699 2.714 20 0 JFADHO CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC001291068601 1063016932 /nfs/dbraw/zinc/01/69/32/1063016932.db2.gz QACBZBIHJIRERT-YOSAUDMPSA-N 1 3 480.723 2.658 20 0 JFADHO CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCCC2)CC1 ZINC001287740637 1063066263 /nfs/dbraw/zinc/06/62/63/1063066263.db2.gz HOBQSBCJUVTOKB-UHFFFAOYSA-N 1 3 454.623 2.579 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001295371007 1063336901 /nfs/dbraw/zinc/33/69/01/1063336901.db2.gz OFAMTJTWSHDFFZ-RTWAWAEBSA-N 1 3 456.635 2.843 20 0 JFADHO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 ZINC001295472207 1063477732 /nfs/dbraw/zinc/47/77/32/1063477732.db2.gz JBKNSMKMTIQBOR-SFTDATJTSA-N 1 3 480.723 2.611 20 0 JFADHO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)CC1 ZINC001295474884 1063483940 /nfs/dbraw/zinc/48/39/40/1063483940.db2.gz ITBCYTPGCLQBJO-UHFFFAOYSA-N 1 3 471.675 2.842 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001295479643 1063488505 /nfs/dbraw/zinc/48/85/05/1063488505.db2.gz HHTHWQPHDDGNSK-OAQYLSRUSA-N 1 3 461.699 2.831 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001295482248 1063497935 /nfs/dbraw/zinc/49/79/35/1063497935.db2.gz HAAXRJYWVIUCJB-AREMUKBSSA-N 1 3 499.729 2.681 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001295482600 1063502745 /nfs/dbraw/zinc/50/27/45/1063502745.db2.gz URYPQQYGCPPPOX-AJTFRIOCSA-N 1 3 496.704 2.841 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295490624 1063517327 /nfs/dbraw/zinc/51/73/27/1063517327.db2.gz BKBOTNJZVUCOPO-QFIPXVFZSA-N 1 3 487.718 2.795 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295490624 1063517344 /nfs/dbraw/zinc/51/73/44/1063517344.db2.gz BKBOTNJZVUCOPO-QFIPXVFZSA-N 1 3 487.718 2.795 20 0 JFADHO CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001295502140 1063535932 /nfs/dbraw/zinc/53/59/32/1063535932.db2.gz ARWXZMPTBZREAE-SFTDATJTSA-N 1 3 468.650 2.968 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001295567740 1063601826 /nfs/dbraw/zinc/60/18/26/1063601826.db2.gz IVKIQSCVOGVFIX-OAQYLSRUSA-N 1 3 455.651 2.543 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001295982017 1064032728 /nfs/dbraw/zinc/03/27/28/1064032728.db2.gz VZHURBVXKRREFH-FSSWDIPSSA-N 1 3 459.683 2.945 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001295982017 1064032737 /nfs/dbraw/zinc/03/27/37/1064032737.db2.gz VZHURBVXKRREFH-FSSWDIPSSA-N 1 3 459.683 2.945 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001295981825 1064033227 /nfs/dbraw/zinc/03/32/27/1064033227.db2.gz BHEDQHXMGAZUQD-PMACEKPBSA-N 1 3 486.661 2.992 20 0 JFADHO CC[C@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291502305 1064052791 /nfs/dbraw/zinc/05/27/91/1064052791.db2.gz FGMJORGZYADKFI-WMZHIEFXSA-N 1 3 450.697 2.778 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001296010434 1064068450 /nfs/dbraw/zinc/06/84/50/1064068450.db2.gz LDIKUNUOKFLBDO-SQNIBIBYSA-N 1 3 459.664 2.671 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001296010434 1064068458 /nfs/dbraw/zinc/06/84/58/1064068458.db2.gz LDIKUNUOKFLBDO-SQNIBIBYSA-N 1 3 459.664 2.671 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291572789 1064099066 /nfs/dbraw/zinc/09/90/66/1064099066.db2.gz PBJHDEQKHOYFST-SMIHKQSGSA-N 1 3 475.726 2.614 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620519 1064159892 /nfs/dbraw/zinc/15/98/92/1064159892.db2.gz JWCKOQONOFTNBH-SFYKDHMMSA-N 1 3 450.697 2.918 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001296123593 1064216190 /nfs/dbraw/zinc/21/61/90/1064216190.db2.gz CABJSKQTNGHUIF-QFIPXVFZSA-N 1 3 468.694 2.923 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001296123593 1064216198 /nfs/dbraw/zinc/21/61/98/1064216198.db2.gz CABJSKQTNGHUIF-QFIPXVFZSA-N 1 3 468.694 2.923 20 0 JFADHO CCN1CCN([C@H]2CCN(c3nnc(Cc4ccsc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296182382 1064323411 /nfs/dbraw/zinc/32/34/11/1064323411.db2.gz RINFQFPNCQGUMX-IRLDBZIGSA-N 1 3 459.708 2.877 20 0 JFADHO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCN(C(C)C)CC2)CC1 ZINC001296183532 1064329000 /nfs/dbraw/zinc/32/90/00/1064329000.db2.gz FAVJTJAIBYNBAV-JOCHJYFZSA-N 1 3 499.704 2.766 20 0 JFADHO CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291888803 1064512893 /nfs/dbraw/zinc/51/28/93/1064512893.db2.gz RGLZEQDUZHZWFK-DNQXCXABSA-N 1 3 481.689 2.903 20 0 JFADHO CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291888803 1064512905 /nfs/dbraw/zinc/51/29/05/1064512905.db2.gz RGLZEQDUZHZWFK-DNQXCXABSA-N 1 3 481.689 2.903 20 0 JFADHO Cc1cccc(N2CCN(CCC(=O)NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)CC2)c1 ZINC001296281099 1064552218 /nfs/dbraw/zinc/55/22/18/1064552218.db2.gz SNZYQWAFQCTPJI-SANMLTNESA-N 1 3 450.627 2.780 20 0 JFADHO Cc1cccc(N2CCN(CCC(=O)NCc3ccccc3C[N@H+]3CCC[C@H]3CO)CC2)c1 ZINC001296281099 1064552228 /nfs/dbraw/zinc/55/22/28/1064552228.db2.gz SNZYQWAFQCTPJI-SANMLTNESA-N 1 3 450.627 2.780 20 0 JFADHO CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1)N(C)C ZINC001291966631 1064580841 /nfs/dbraw/zinc/58/08/41/1064580841.db2.gz CSIXFAOUGBKLIU-TZIWHRDSSA-N 1 3 468.712 2.513 20 0 JFADHO CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1)N(C)C ZINC001291966630 1064580872 /nfs/dbraw/zinc/58/08/72/1064580872.db2.gz CSIXFAOUGBKLIU-PZJWPPBQSA-N 1 3 468.712 2.513 20 0 JFADHO CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967944 1064583616 /nfs/dbraw/zinc/58/36/16/1064583616.db2.gz NSIOWXAWWBGTFZ-XKCSPQBFSA-N 1 3 462.683 2.838 20 0 JFADHO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCN1CCCCC1 ZINC001292125938 1064873164 /nfs/dbraw/zinc/87/31/64/1064873164.db2.gz NBUWGGUFCGWWHO-HXUWFJFHSA-N 1 3 459.683 2.993 20 0 JFADHO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CCN1CCCCC1 ZINC001292125938 1064873181 /nfs/dbraw/zinc/87/31/81/1064873181.db2.gz NBUWGGUFCGWWHO-HXUWFJFHSA-N 1 3 459.683 2.993 20 0 JFADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001293082718 1065732343 /nfs/dbraw/zinc/73/23/43/1065732343.db2.gz SRRGPWMDOCZQOU-LOSJGSFVSA-N 1 3 454.659 2.937 20 0 JFADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001293082718 1065732352 /nfs/dbraw/zinc/73/23/52/1065732352.db2.gz SRRGPWMDOCZQOU-LOSJGSFVSA-N 1 3 454.659 2.937 20 0 JFADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c21 ZINC001164389565 718824223 /nfs/dbraw/zinc/82/42/23/718824223.db2.gz IQVQGPFTJSZOQC-PMACEKPBSA-N 1 3 468.985 2.964 20 0 JFADHO COC(=O)c1cc2c(ncnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164754583 720876505 /nfs/dbraw/zinc/87/65/05/720876505.db2.gz SBGZXPKJRXSEQY-RXFWQSSRSA-N 1 3 476.581 2.846 20 0 JFADHO COC(=O)c1cc2c(ncnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH]1 ZINC001164754583 720876506 /nfs/dbraw/zinc/87/65/06/720876506.db2.gz SBGZXPKJRXSEQY-RXFWQSSRSA-N 1 3 476.581 2.846 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@@H]2C)CC1 ZINC001286868464 1061257233 /nfs/dbraw/zinc/25/72/33/1061257233.db2.gz AHWAWGBGQXQWCJ-UNMCSNQZSA-N 1 3 473.710 2.730 20 0 JFADHO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001294506127 1062042927 /nfs/dbraw/zinc/04/29/27/1062042927.db2.gz QEPUGJQWBOFRRH-UHFFFAOYSA-N 1 3 467.662 2.958 20 0 JFADHO CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001294506127 1062042948 /nfs/dbraw/zinc/04/29/48/1062042948.db2.gz QEPUGJQWBOFRRH-UHFFFAOYSA-N 1 3 467.662 2.958 20 0 JFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)COc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001294783062 1062389485 /nfs/dbraw/zinc/38/94/85/1062389485.db2.gz RJEVTYTVGHDOGV-HXUWFJFHSA-N 1 3 457.537 2.758 20 0 JFADHO CC(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287220414 1062704851 /nfs/dbraw/zinc/70/48/51/1062704851.db2.gz VTCPNGZIBQCTMS-QFIPXVFZSA-N 1 3 459.683 2.799 20 0 JFADHO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001287334329 1062811686 /nfs/dbraw/zinc/81/16/86/1062811686.db2.gz QYHPANDOMULCIK-HSZRJFAPSA-N 1 3 455.651 2.541 20 0 JFADHO CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)(C)C)CC2)CC1 ZINC001287629046 1063009669 /nfs/dbraw/zinc/00/96/69/1063009669.db2.gz IEJXIGUEHYYBSH-FQEVSTJZSA-N 1 3 497.754 2.567 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295389663 1063367151 /nfs/dbraw/zinc/36/71/51/1063367151.db2.gz FSVUEAOHBSHJDB-HYBUGGRVSA-N 1 3 450.672 2.970 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295389665 1063367349 /nfs/dbraw/zinc/36/73/49/1063367349.db2.gz FSVUEAOHBSHJDB-YKSBVNFPSA-N 1 3 450.672 2.970 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390303 1063369539 /nfs/dbraw/zinc/36/95/39/1063369539.db2.gz NICRYVIDMPGTLD-MCEYFSPLSA-N 1 3 492.709 2.739 20 0 JFADHO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC001295472206 1063477699 /nfs/dbraw/zinc/47/76/99/1063477699.db2.gz JBKNSMKMTIQBOR-RTWAWAEBSA-N 1 3 480.723 2.611 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001295482299 1063499093 /nfs/dbraw/zinc/49/90/93/1063499093.db2.gz IWYARZJLDRHPMI-UHFFFAOYSA-N 1 3 471.650 2.711 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295483810 1063509032 /nfs/dbraw/zinc/50/90/32/1063509032.db2.gz IMAXMRSTEIUNQV-XZOQPEGZSA-N 1 3 489.709 2.631 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295483810 1063509046 /nfs/dbraw/zinc/50/90/46/1063509046.db2.gz IMAXMRSTEIUNQV-XZOQPEGZSA-N 1 3 489.709 2.631 20 0 JFADHO CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001295502139 1063535784 /nfs/dbraw/zinc/53/57/84/1063535784.db2.gz ARWXZMPTBZREAE-RTWAWAEBSA-N 1 3 468.650 2.968 20 0 JFADHO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001295836595 1063853177 /nfs/dbraw/zinc/85/31/77/1063853177.db2.gz BLWJXKHHVLYYMI-QFIPXVFZSA-N 1 3 456.683 2.619 20 0 JFADHO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001295836595 1063853191 /nfs/dbraw/zinc/85/31/91/1063853191.db2.gz BLWJXKHHVLYYMI-QFIPXVFZSA-N 1 3 456.683 2.619 20 0 JFADHO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001295836594 1063853338 /nfs/dbraw/zinc/85/33/38/1063853338.db2.gz BLWJXKHHVLYYMI-JOCHJYFZSA-N 1 3 456.683 2.619 20 0 JFADHO CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001295836594 1063853347 /nfs/dbraw/zinc/85/33/47/1063853347.db2.gz BLWJXKHHVLYYMI-JOCHJYFZSA-N 1 3 456.683 2.619 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975793 1064020230 /nfs/dbraw/zinc/02/02/30/1064020230.db2.gz FDGZERBSORPMMC-UXHICEINSA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975793 1064020233 /nfs/dbraw/zinc/02/02/33/1064020233.db2.gz FDGZERBSORPMMC-UXHICEINSA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975794 1064020364 /nfs/dbraw/zinc/02/03/64/1064020364.db2.gz FDGZERBSORPMMC-VQTJNVASSA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975794 1064020372 /nfs/dbraw/zinc/02/03/72/1064020372.db2.gz FDGZERBSORPMMC-VQTJNVASSA-N 1 3 468.650 2.966 20 0 JFADHO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001291471085 1064032922 /nfs/dbraw/zinc/03/29/22/1064032922.db2.gz YVLQUVHDBVEFBG-HOUBMWHVSA-N 1 3 473.710 2.902 20 0 JFADHO CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001295982510 1064035661 /nfs/dbraw/zinc/03/56/61/1064035661.db2.gz UGFFEHVDZNRGCF-YOEKFXIASA-N 1 3 450.672 2.968 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001295990102 1064044935 /nfs/dbraw/zinc/04/49/35/1064044935.db2.gz DVFVJCFEEYLBES-PMACEKPBSA-N 1 3 456.635 2.719 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001295990107 1064045035 /nfs/dbraw/zinc/04/50/35/1064045035.db2.gz DVFVJCFEEYLBES-VQTJNVASSA-N 1 3 456.635 2.719 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296002968 1064057931 /nfs/dbraw/zinc/05/79/31/1064057931.db2.gz PDHORRDYOMNKLF-VQTJNVASSA-N 1 3 458.626 2.774 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296010585 1064069097 /nfs/dbraw/zinc/06/90/97/1064069097.db2.gz QQTJSJNOVYULIP-QZTJIDSGSA-N 1 3 461.680 2.664 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001296013860 1064074930 /nfs/dbraw/zinc/07/49/30/1064074930.db2.gz OUFKKQOBWFXDIH-QHAWAJNXSA-N 1 3 474.625 2.762 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001296013860 1064074941 /nfs/dbraw/zinc/07/49/41/1064074941.db2.gz OUFKKQOBWFXDIH-QHAWAJNXSA-N 1 3 474.625 2.762 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001291579259 1064105553 /nfs/dbraw/zinc/10/55/53/1064105553.db2.gz IOQWPZWBLNALOI-BHDDXSALSA-N 1 3 459.683 2.655 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001291579259 1064105567 /nfs/dbraw/zinc/10/55/67/1064105567.db2.gz IOQWPZWBLNALOI-BHDDXSALSA-N 1 3 459.683 2.655 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620515 1064159391 /nfs/dbraw/zinc/15/93/91/1064159391.db2.gz JWCKOQONOFTNBH-MSYCTHLASA-N 1 3 450.697 2.918 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296131446 1064225789 /nfs/dbraw/zinc/22/57/89/1064225789.db2.gz KRMYWMGGAUBYHP-JOCHJYFZSA-N 1 3 471.669 2.955 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296131446 1064225798 /nfs/dbraw/zinc/22/57/98/1064225798.db2.gz KRMYWMGGAUBYHP-JOCHJYFZSA-N 1 3 471.669 2.955 20 0 JFADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001291766426 1064248151 /nfs/dbraw/zinc/24/81/51/1064248151.db2.gz CZVIVNYAYKQERY-HXUWFJFHSA-N 1 3 456.635 2.985 20 0 JFADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001291766426 1064248159 /nfs/dbraw/zinc/24/81/59/1064248159.db2.gz CZVIVNYAYKQERY-HXUWFJFHSA-N 1 3 456.635 2.985 20 0 JFADHO CC[C@@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291782476 1064271902 /nfs/dbraw/zinc/27/19/02/1064271902.db2.gz PGPILCHCQHTZMV-VWNXMTODSA-N 1 3 468.694 2.599 20 0 JFADHO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291782476 1064271912 /nfs/dbraw/zinc/27/19/12/1064271912.db2.gz PGPILCHCQHTZMV-VWNXMTODSA-N 1 3 468.694 2.599 20 0 JFADHO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967942 1064583786 /nfs/dbraw/zinc/58/37/86/1064583786.db2.gz NSIOWXAWWBGTFZ-WPYKKVEZSA-N 1 3 462.683 2.838 20 0 JFADHO CCc1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893144 1065592480 /nfs/dbraw/zinc/59/24/80/1065592480.db2.gz LHSSXWWGVIHIAJ-WIOPSUGQSA-N 1 3 487.737 2.978 20 0 JFADHO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001293116081 1065762649 /nfs/dbraw/zinc/76/26/49/1065762649.db2.gz JCYYEGZWFXTBKC-WMZHIEFXSA-N 1 3 456.635 2.842 20 0 JFADHO CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001293116081 1065762664 /nfs/dbraw/zinc/76/26/64/1065762664.db2.gz JCYYEGZWFXTBKC-WMZHIEFXSA-N 1 3 456.635 2.842 20 0 JFADHO CCc1nnc(N2CCN(Cc3cccc(C)c3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293123816 1065776652 /nfs/dbraw/zinc/77/66/52/1065776652.db2.gz MMAHONCQQRBXOG-HSZRJFAPSA-N 1 3 453.679 2.745 20 0 JFADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c21 ZINC001164389567 718823910 /nfs/dbraw/zinc/82/39/10/718823910.db2.gz IQVQGPFTJSZOQC-VQTJNVASSA-N 1 3 468.985 2.964 20 0 JFADHO CN1CCN(c2cccc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)n2)CC1 ZINC001164681886 719673307 /nfs/dbraw/zinc/67/33/07/719673307.db2.gz OAPRBKILVPGGHR-QHCPKHFHSA-N 1 3 490.696 2.927 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001286869917 1061264330 /nfs/dbraw/zinc/26/43/30/1061264330.db2.gz GQKXPWKBXIUUTK-QNWVGRARSA-N 1 3 459.683 2.512 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001286869917 1061264349 /nfs/dbraw/zinc/26/43/49/1061264349.db2.gz GQKXPWKBXIUUTK-QNWVGRARSA-N 1 3 459.683 2.512 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001286870303 1061265387 /nfs/dbraw/zinc/26/53/87/1061265387.db2.gz IPMUTQYBLQHSKQ-WIOPSUGQSA-N 1 3 496.704 2.838 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286871174 1061270521 /nfs/dbraw/zinc/27/05/21/1061270521.db2.gz MQDMVGAKDHAEKA-AKIFATBCSA-N 1 3 475.726 2.931 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871407 1061271007 /nfs/dbraw/zinc/27/10/07/1061271007.db2.gz NUZQKMZQVBQWRH-UPVQGACJSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871407 1061271026 /nfs/dbraw/zinc/27/10/26/1061271026.db2.gz NUZQKMZQVBQWRH-UPVQGACJSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286872940 1061282874 /nfs/dbraw/zinc/28/28/74/1061282874.db2.gz ZBEQSCABLBBEDM-AMDXRBSFSA-N 1 3 467.662 2.577 20 0 JFADHO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)CC1 ZINC001294682895 1062241285 /nfs/dbraw/zinc/24/12/85/1062241285.db2.gz KDHODSWMULYJDR-HXUWFJFHSA-N 1 3 480.723 2.755 20 0 JFADHO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294708070 1062273710 /nfs/dbraw/zinc/27/37/10/1062273710.db2.gz QPSDTGRRIPTDES-DHIUTWEWSA-N 1 3 489.709 2.775 20 0 JFADHO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294708070 1062273722 /nfs/dbraw/zinc/27/37/22/1062273722.db2.gz QPSDTGRRIPTDES-DHIUTWEWSA-N 1 3 489.709 2.775 20 0 JFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001294783061 1062389576 /nfs/dbraw/zinc/38/95/76/1062389576.db2.gz RJEVTYTVGHDOGV-FQEVSTJZSA-N 1 3 457.537 2.758 20 0 JFADHO Cc1cc(C)n(Cc2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290628201 1062501331 /nfs/dbraw/zinc/50/13/31/1062501331.db2.gz JYGALELNARYIMN-VWLOTQADSA-N 1 3 499.752 2.863 20 0 JFADHO CC(C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287200568 1062638298 /nfs/dbraw/zinc/63/82/98/1062638298.db2.gz FVAXRYFQIFSFJT-QFIPXVFZSA-N 1 3 459.683 2.799 20 0 JFADHO CN1CCN(CCCNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716271 /nfs/dbraw/zinc/71/62/71/1062716271.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 1 3 450.627 2.509 20 0 JFADHO CN1CCN(CCCNC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716293 /nfs/dbraw/zinc/71/62/93/1062716293.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 1 3 450.627 2.509 20 0 JFADHO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)[NH+](C)C ZINC001287340024 1062817660 /nfs/dbraw/zinc/81/76/60/1062817660.db2.gz AOSXNUNWPLIFMC-XPWALMASSA-N 1 3 461.699 2.711 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[N@H+](C)CC)c2)C[C@H]1C ZINC001295126307 1062940821 /nfs/dbraw/zinc/94/08/21/1062940821.db2.gz DVLXDTGATVOPRL-NHCUHLMSSA-N 1 3 467.662 2.933 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C[N@@H+](C)CC)c2)C[C@H]1C ZINC001295126307 1062940845 /nfs/dbraw/zinc/94/08/45/1062940845.db2.gz DVLXDTGATVOPRL-NHCUHLMSSA-N 1 3 467.662 2.933 20 0 JFADHO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001287741884 1063068640 /nfs/dbraw/zinc/06/86/40/1063068640.db2.gz OTXHUSUSWASGFQ-VXKWHMMOSA-N 1 3 461.699 2.952 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001287748652 1063072537 /nfs/dbraw/zinc/07/25/37/1063072537.db2.gz AVUGXRKIGSBSDP-BVAGGSTKSA-N 1 3 492.709 2.598 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001287748652 1063072554 /nfs/dbraw/zinc/07/25/54/1063072554.db2.gz AVUGXRKIGSBSDP-BVAGGSTKSA-N 1 3 492.709 2.598 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287770460 1063097719 /nfs/dbraw/zinc/09/77/19/1063097719.db2.gz UIOARFBUDUYXSZ-RBBKRZOGSA-N 1 3 453.635 2.528 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287770460 1063097743 /nfs/dbraw/zinc/09/77/43/1063097743.db2.gz UIOARFBUDUYXSZ-RBBKRZOGSA-N 1 3 453.635 2.528 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390302 1063369429 /nfs/dbraw/zinc/36/94/29/1063369429.db2.gz NICRYVIDMPGTLD-AOJNWGRGSA-N 1 3 492.709 2.739 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482686 1063504367 /nfs/dbraw/zinc/50/43/67/1063504367.db2.gz XQTYUZNZQYWRSK-JOCHJYFZSA-N 1 3 481.689 2.976 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482686 1063504374 /nfs/dbraw/zinc/50/43/74/1063504374.db2.gz XQTYUZNZQYWRSK-JOCHJYFZSA-N 1 3 481.689 2.976 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001295482674 1063504404 /nfs/dbraw/zinc/50/44/04/1063504404.db2.gz XFBZIWRWRUFRAR-UHFFFAOYSA-N 1 3 484.693 2.539 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001295482674 1063504419 /nfs/dbraw/zinc/50/44/19/1063504419.db2.gz XFBZIWRWRUFRAR-UHFFFAOYSA-N 1 3 484.693 2.539 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001295490623 1063517227 /nfs/dbraw/zinc/51/72/27/1063517227.db2.gz BKBOTNJZVUCOPO-JOCHJYFZSA-N 1 3 487.718 2.795 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295490623 1063517243 /nfs/dbraw/zinc/51/72/43/1063517243.db2.gz BKBOTNJZVUCOPO-JOCHJYFZSA-N 1 3 487.718 2.795 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001295490924 1063519437 /nfs/dbraw/zinc/51/94/37/1063519437.db2.gz JJTFRPWVGHBUEA-VXKWHMMOSA-N 1 3 487.737 2.978 20 0 JFADHO CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)c1 ZINC001295494096 1063528347 /nfs/dbraw/zinc/52/83/47/1063528347.db2.gz YRKSZLIFQQJHAG-LVXARBLLSA-N 1 3 481.689 2.856 20 0 JFADHO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001295522179 1063559204 /nfs/dbraw/zinc/55/92/04/1063559204.db2.gz IYBUIXFYGPPFTA-UHFFFAOYSA-N 1 3 459.683 2.947 20 0 JFADHO C[C@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)CCCO1 ZINC001291292681 1063677547 /nfs/dbraw/zinc/67/75/47/1063677547.db2.gz IAJFFXBBLJXDCH-FCHUYYIVSA-N 1 3 462.683 2.526 20 0 JFADHO C[C@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)CCCO1 ZINC001291292681 1063677556 /nfs/dbraw/zinc/67/75/56/1063677556.db2.gz IAJFFXBBLJXDCH-FCHUYYIVSA-N 1 3 462.683 2.526 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975792 1064020158 /nfs/dbraw/zinc/02/01/58/1064020158.db2.gz FDGZERBSORPMMC-PMACEKPBSA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975792 1064020164 /nfs/dbraw/zinc/02/01/64/1064020164.db2.gz FDGZERBSORPMMC-PMACEKPBSA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC001295977447 1064023993 /nfs/dbraw/zinc/02/39/93/1064023993.db2.gz KQMCRNFHULMJFC-WOJBJXKFSA-N 1 3 468.650 2.647 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001295982012 1064032654 /nfs/dbraw/zinc/03/26/54/1064032654.db2.gz VZHURBVXKRREFH-BDTNDASRSA-N 1 3 459.683 2.945 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001295982012 1064032660 /nfs/dbraw/zinc/03/26/60/1064032660.db2.gz VZHURBVXKRREFH-BDTNDASRSA-N 1 3 459.683 2.945 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001295982089 1064033631 /nfs/dbraw/zinc/03/36/31/1064033631.db2.gz WIYAIGDCWUOZPS-NJYVYQBISA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001295986252 1064042955 /nfs/dbraw/zinc/04/29/55/1064042955.db2.gz UXJSGCSMIHNOFQ-PMACEKPBSA-N 1 3 451.619 2.990 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001295996209 1064052380 /nfs/dbraw/zinc/05/23/80/1064052380.db2.gz NAHMRJHQBGLKNL-VQTJNVASSA-N 1 3 466.634 2.586 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296010586 1064069327 /nfs/dbraw/zinc/06/93/27/1064069327.db2.gz QQTJSJNOVYULIP-ROUUACIJSA-N 1 3 461.680 2.664 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001296011277 1064070494 /nfs/dbraw/zinc/07/04/94/1064070494.db2.gz UVDIKBFTZPTEDQ-ONTIZHBOSA-N 1 3 459.683 2.830 20 0 JFADHO CCN1CCN(c2nnc(Cc3ccsc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001296169229 1064292679 /nfs/dbraw/zinc/29/26/79/1064292679.db2.gz KTQSUULOZHABHU-HXUWFJFHSA-N 1 3 459.708 2.734 20 0 JFADHO CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183294 1064327690 /nfs/dbraw/zinc/32/76/90/1064327690.db2.gz CUYOKXBHFSBCJP-SDHOMARFSA-N 1 3 488.769 2.670 20 0 JFADHO CC[C@H](Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)[NH+]1CCCC1 ZINC001292162057 1064947009 /nfs/dbraw/zinc/94/70/09/1064947009.db2.gz IBDXXAPMTMFLCA-MDNUFGMLSA-N 1 3 459.683 2.655 20 0 JFADHO CCc1ccccc1OCc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292614614 1065344965 /nfs/dbraw/zinc/34/49/65/1065344965.db2.gz GWCILQUONKDTBA-OAQYLSRUSA-N 1 3 470.662 2.918 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893143 1065592420 /nfs/dbraw/zinc/59/24/20/1065592420.db2.gz LHSSXWWGVIHIAJ-RDGATRHJSA-N 1 3 487.737 2.978 20 0 JFADHO CCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001292961268 1065642188 /nfs/dbraw/zinc/64/21/88/1065642188.db2.gz VZZLTLITCMPOPB-HSZRJFAPSA-N 1 3 456.635 2.701 20 0 JFADHO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC2)C1 ZINC001164870420 721268010 /nfs/dbraw/zinc/26/80/10/721268010.db2.gz YHAUXSDUJSWSGB-UHFFFAOYSA-N 1 3 477.653 2.647 20 0 JFADHO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)CC2)C1 ZINC001164870420 721268015 /nfs/dbraw/zinc/26/80/15/721268015.db2.gz YHAUXSDUJSWSGB-UHFFFAOYSA-N 1 3 477.653 2.647 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871406 1061271615 /nfs/dbraw/zinc/27/16/15/1061271615.db2.gz NUZQKMZQVBQWRH-LADGPHEKSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871406 1061271633 /nfs/dbraw/zinc/27/16/33/1061271633.db2.gz NUZQKMZQVBQWRH-LADGPHEKSA-N 1 3 487.737 2.978 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286872941 1061283278 /nfs/dbraw/zinc/28/32/78/1061283278.db2.gz ZBEQSCABLBBEDM-BUUDZMLXSA-N 1 3 467.662 2.577 20 0 JFADHO Cc1cccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001289954718 1061650652 /nfs/dbraw/zinc/65/06/52/1061650652.db2.gz OCESHFIWTIQYGA-QFIPXVFZSA-N 1 3 454.667 2.593 20 0 JFADHO Cc1cccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001289954718 1061650655 /nfs/dbraw/zinc/65/06/55/1061650655.db2.gz OCESHFIWTIQYGA-QFIPXVFZSA-N 1 3 454.667 2.593 20 0 JFADHO CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001294214823 1061724086 /nfs/dbraw/zinc/72/40/86/1061724086.db2.gz NUPGMXDMZQCXDR-UHFFFAOYSA-N 1 3 456.635 2.987 20 0 JFADHO CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001294214823 1061724105 /nfs/dbraw/zinc/72/41/05/1061724105.db2.gz NUPGMXDMZQCXDR-UHFFFAOYSA-N 1 3 456.635 2.987 20 0 JFADHO Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290071635 1061799091 /nfs/dbraw/zinc/79/90/91/1061799091.db2.gz QQCKBQOGIZAAJP-XMMPIXPASA-N 1 3 497.688 2.639 20 0 JFADHO Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290071635 1061799112 /nfs/dbraw/zinc/79/91/12/1061799112.db2.gz QQCKBQOGIZAAJP-XMMPIXPASA-N 1 3 497.688 2.639 20 0 JFADHO CC(C)(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001287034960 1062000109 /nfs/dbraw/zinc/00/01/09/1062000109.db2.gz CGKBBEYCRXWIQS-QHCPKHFHSA-N 1 3 476.710 2.652 20 0 JFADHO CC(C)(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001287034960 1062000129 /nfs/dbraw/zinc/00/01/29/1062000129.db2.gz CGKBBEYCRXWIQS-QHCPKHFHSA-N 1 3 476.710 2.652 20 0 JFADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)C1 ZINC001294467588 1062017050 /nfs/dbraw/zinc/01/70/50/1062017050.db2.gz HTNHWVXTZAHEIJ-ACIOBRDBSA-N 1 3 494.750 2.859 20 0 JFADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)C1 ZINC001294467588 1062017072 /nfs/dbraw/zinc/01/70/72/1062017072.db2.gz HTNHWVXTZAHEIJ-ACIOBRDBSA-N 1 3 494.750 2.859 20 0 JFADHO CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001294513690 1062048055 /nfs/dbraw/zinc/04/80/55/1062048055.db2.gz ICSMEROONIROFX-JOCHJYFZSA-N 1 3 454.667 2.677 20 0 JFADHO CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001294513690 1062048074 /nfs/dbraw/zinc/04/80/74/1062048074.db2.gz ICSMEROONIROFX-JOCHJYFZSA-N 1 3 454.667 2.677 20 0 JFADHO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294696239 1062258204 /nfs/dbraw/zinc/25/82/04/1062258204.db2.gz DEKVLGLIVHTNMW-QHCPKHFHSA-N 1 3 496.704 2.903 20 0 JFADHO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001294696239 1062258226 /nfs/dbraw/zinc/25/82/26/1062258226.db2.gz DEKVLGLIVHTNMW-QHCPKHFHSA-N 1 3 496.704 2.903 20 0 JFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4cc(OC)c(OC)c(OC)c4CC3)CC2)CC1 ZINC001294819700 1062500195 /nfs/dbraw/zinc/50/01/95/1062500195.db2.gz DZPGRTBJCQJGQG-UHFFFAOYSA-N 1 3 459.631 2.836 20 0 JFADHO CN1CCN(CCCNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715453 /nfs/dbraw/zinc/71/54/53/1062715453.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 1 3 450.627 2.509 20 0 JFADHO CN1CCN(CCCNC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715472 /nfs/dbraw/zinc/71/54/72/1062715472.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 1 3 450.627 2.509 20 0 JFADHO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)[NH+](C)C ZINC001287335470 1062813441 /nfs/dbraw/zinc/81/34/41/1062813441.db2.gz VQYKDEXTUOTMIU-BJKOFHAPSA-N 1 3 499.679 2.727 20 0 JFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291015041 1062925120 /nfs/dbraw/zinc/92/51/20/1062925120.db2.gz LXNYCOQFCKKGKE-FGZHOGPDSA-N 1 3 473.710 2.688 20 0 JFADHO CC(C)[NH2+]C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC001291068599 1063016276 /nfs/dbraw/zinc/01/62/76/1063016276.db2.gz QACBZBIHJIRERT-NMMYMHLASA-N 1 3 480.723 2.658 20 0 JFADHO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001287741883 1063068780 /nfs/dbraw/zinc/06/87/80/1063068780.db2.gz OTXHUSUSWASGFQ-SZPZYZBQSA-N 1 3 461.699 2.952 20 0 JFADHO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001287741883 1063068800 /nfs/dbraw/zinc/06/88/00/1063068800.db2.gz OTXHUSUSWASGFQ-SZPZYZBQSA-N 1 3 461.699 2.952 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCC2)CC1 ZINC001287752287 1063080003 /nfs/dbraw/zinc/08/00/03/1063080003.db2.gz WXNDFDDGWVFVCI-UHFFFAOYSA-N 1 3 464.456 2.920 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)CC1 ZINC001287759535 1063085911 /nfs/dbraw/zinc/08/59/11/1063085911.db2.gz IDMKPJPZIVDLBM-UHFFFAOYSA-N 1 3 451.619 2.850 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001295359507 1063320194 /nfs/dbraw/zinc/32/01/94/1063320194.db2.gz ZQXUOXILCAJIDL-NRFANRHFSA-N 1 3 455.651 2.859 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001295365832 1063328725 /nfs/dbraw/zinc/32/87/25/1063328725.db2.gz MQBGQIFVTVSKJM-HXUWFJFHSA-N 1 3 486.661 2.994 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295389664 1063367217 /nfs/dbraw/zinc/36/72/17/1063367217.db2.gz FSVUEAOHBSHJDB-RDPSFJRHSA-N 1 3 450.672 2.970 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001295481304 1063492652 /nfs/dbraw/zinc/49/26/52/1063492652.db2.gz ULINSYRUUPDUBO-WIOPSUGQSA-N 1 3 481.689 2.878 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295481304 1063492662 /nfs/dbraw/zinc/49/26/62/1063492662.db2.gz ULINSYRUUPDUBO-WIOPSUGQSA-N 1 3 481.689 2.878 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295482700 1063505026 /nfs/dbraw/zinc/50/50/26/1063505026.db2.gz XYHWMQNMZYCEIS-GOSISDBHSA-N 1 3 462.042 2.539 20 0 JFADHO CCN1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)C1 ZINC001295506330 1063543157 /nfs/dbraw/zinc/54/31/57/1063543157.db2.gz JTUNNRSPMCIBSA-SFTDATJTSA-N 1 3 488.702 2.859 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001295560742 1063594058 /nfs/dbraw/zinc/59/40/58/1063594058.db2.gz MVOUEHQGKDHDQQ-FGZHOGPDSA-N 1 3 456.683 2.619 20 0 JFADHO CCN(CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)CCC(F)(F)F ZINC001295839867 1063859220 /nfs/dbraw/zinc/85/92/20/1063859220.db2.gz ZKVAVSGPISDTGJ-SFHVURJKSA-N 1 3 469.556 2.706 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001295982086 1064033672 /nfs/dbraw/zinc/03/36/72/1064033672.db2.gz WIYAIGDCWUOZPS-HKBOAZHASA-N 1 3 468.650 2.966 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001295996206 1064052409 /nfs/dbraw/zinc/05/24/09/1064052409.db2.gz NAHMRJHQBGLKNL-PMACEKPBSA-N 1 3 466.634 2.586 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296008816 1064062528 /nfs/dbraw/zinc/06/25/28/1064062528.db2.gz BPKRMYCXAWQLEG-AABGKKOBSA-N 1 3 473.691 2.920 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296008816 1064062536 /nfs/dbraw/zinc/06/25/36/1064062536.db2.gz BPKRMYCXAWQLEG-AABGKKOBSA-N 1 3 473.691 2.920 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296008819 1064062606 /nfs/dbraw/zinc/06/26/06/1064062606.db2.gz BPKRMYCXAWQLEG-AQNXPRMDSA-N 1 3 473.691 2.920 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296008819 1064062614 /nfs/dbraw/zinc/06/26/14/1064062614.db2.gz BPKRMYCXAWQLEG-AQNXPRMDSA-N 1 3 473.691 2.920 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296010584 1064068619 /nfs/dbraw/zinc/06/86/19/1064068619.db2.gz QQTJSJNOVYULIP-MSOLQXFVSA-N 1 3 461.680 2.664 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001296011275 1064070686 /nfs/dbraw/zinc/07/06/86/1064070686.db2.gz UVDIKBFTZPTEDQ-JAXLGGSGSA-N 1 3 459.683 2.830 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001296013856 1064075039 /nfs/dbraw/zinc/07/50/39/1064075039.db2.gz OUFKKQOBWFXDIH-HKBOAZHASA-N 1 3 474.625 2.762 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001296013856 1064075049 /nfs/dbraw/zinc/07/50/49/1064075049.db2.gz OUFKKQOBWFXDIH-HKBOAZHASA-N 1 3 474.625 2.762 20 0 JFADHO CC[C@H](C)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291572787 1064099028 /nfs/dbraw/zinc/09/90/28/1064099028.db2.gz PBJHDEQKHOYFST-HJOGWXRNSA-N 1 3 475.726 2.614 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620522 1064159862 /nfs/dbraw/zinc/15/98/62/1064159862.db2.gz JWCKOQONOFTNBH-YDHSSHFGSA-N 1 3 450.697 2.918 20 0 JFADHO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1 ZINC001291640337 1064189522 /nfs/dbraw/zinc/18/95/22/1064189522.db2.gz DGZZXGAWNJQGDG-DHZHZOJOSA-N 1 3 450.583 2.976 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296127606 1064221681 /nfs/dbraw/zinc/22/16/81/1064221681.db2.gz VLLYVLBHAYYGBY-OAQYLSRUSA-N 1 3 469.678 2.947 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001296130089 1064223815 /nfs/dbraw/zinc/22/38/15/1064223815.db2.gz BTHGKRKDSHIXFE-FQEVSTJZSA-N 1 3 488.750 2.970 20 0 JFADHO CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001296130803 1064224131 /nfs/dbraw/zinc/22/41/31/1064224131.db2.gz GGBAMMYHXFJOMS-NRFANRHFSA-N 1 3 456.683 2.620 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296132796 1064232218 /nfs/dbraw/zinc/23/22/18/1064232218.db2.gz SAFXTISVWOIEHK-JOCHJYFZSA-N 1 3 468.694 2.985 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296132796 1064232223 /nfs/dbraw/zinc/23/22/23/1064232223.db2.gz SAFXTISVWOIEHK-JOCHJYFZSA-N 1 3 468.694 2.985 20 0 JFADHO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001291766424 1064248215 /nfs/dbraw/zinc/24/82/15/1064248215.db2.gz CZVIVNYAYKQERY-FQEVSTJZSA-N 1 3 456.635 2.985 20 0 JFADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001291766424 1064248221 /nfs/dbraw/zinc/24/82/21/1064248221.db2.gz CZVIVNYAYKQERY-FQEVSTJZSA-N 1 3 456.635 2.985 20 0 JFADHO CCN1CCN(c2nnc(Cc3ccsc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001296169223 1064292812 /nfs/dbraw/zinc/29/28/12/1064292812.db2.gz KTQSUULOZHABHU-FQEVSTJZSA-N 1 3 459.708 2.734 20 0 JFADHO CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181582 1064316175 /nfs/dbraw/zinc/31/61/75/1064316175.db2.gz YCANLLUHZWZZFK-FGZHOGPDSA-N 1 3 454.667 2.595 20 0 JFADHO CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)[NH+]1CCCC1 ZINC001292162058 1064946928 /nfs/dbraw/zinc/94/69/28/1064946928.db2.gz IBDXXAPMTMFLCA-MZYLBHOOSA-N 1 3 459.683 2.655 20 0 JFADHO CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)CC2)[NH+](C)C)cc1 ZINC001292458445 1065182295 /nfs/dbraw/zinc/18/22/95/1065182295.db2.gz OWZUCTHQVIQGQN-PKTZIBPZSA-N 1 3 467.662 2.873 20 0 JFADHO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)CCN1CCOC ZINC001294076364 1066545448 /nfs/dbraw/zinc/54/54/48/1066545448.db2.gz JANBRLQHCVUQBL-OAQYLSRUSA-N 1 3 470.666 2.937 20 0 JFADHO CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CCN1CCOC ZINC001294077437 1066546865 /nfs/dbraw/zinc/54/68/65/1066546865.db2.gz PFIBYCQWSTWTMS-CVDCTZTESA-N 1 3 461.680 2.648 20 0 JFADHO COC(=O)c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164754581 720876273 /nfs/dbraw/zinc/87/62/73/720876273.db2.gz SBGZXPKJRXSEQY-IBVKSMDESA-N 1 3 476.581 2.846 20 0 JFADHO COC(=O)c1cc2c(ncnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH]1 ZINC001164754581 720876275 /nfs/dbraw/zinc/87/62/75/720876275.db2.gz SBGZXPKJRXSEQY-IBVKSMDESA-N 1 3 476.581 2.846 20 0 JFADHO c1cc(CN2CCOCC3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC3)C2)ccn1 ZINC001164964382 722062462 /nfs/dbraw/zinc/06/24/62/722062462.db2.gz FYYVPELBTGPEGJ-UHFFFAOYSA-N 1 3 451.615 2.974 20 0 JFADHO Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001289600477 1061244819 /nfs/dbraw/zinc/24/48/19/1061244819.db2.gz MOJSLMOTFQYAIB-OAQYLSRUSA-N 1 3 471.650 2.567 20 0 JFADHO Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001289600477 1061244835 /nfs/dbraw/zinc/24/48/35/1061244835.db2.gz MOJSLMOTFQYAIB-OAQYLSRUSA-N 1 3 471.650 2.567 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286871172 1061270461 /nfs/dbraw/zinc/27/04/61/1061270461.db2.gz MQDMVGAKDHAEKA-ACIOBRDBSA-N 1 3 475.726 2.931 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871689 1061273657 /nfs/dbraw/zinc/27/36/57/1061273657.db2.gz OWEGEUNXBXUNJX-UNMCSNQZSA-N 1 3 461.699 2.685 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871689 1061273675 /nfs/dbraw/zinc/27/36/75/1061273675.db2.gz OWEGEUNXBXUNJX-UNMCSNQZSA-N 1 3 461.699 2.685 20 0 JFADHO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001289743327 1061360023 /nfs/dbraw/zinc/36/00/23/1061360023.db2.gz NSKDGFMZBUOGHP-DEOSSOPVSA-N 1 3 497.688 2.772 20 0 JFADHO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001289743327 1061360041 /nfs/dbraw/zinc/36/00/41/1061360041.db2.gz NSKDGFMZBUOGHP-DEOSSOPVSA-N 1 3 497.688 2.772 20 0 JFADHO Cc1ccccc1Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@H](C)[NH+](C)C ZINC001290164729 1061905937 /nfs/dbraw/zinc/90/59/37/1061905937.db2.gz WGBHYSOKDHGDNA-UPVQGACJSA-N 1 3 453.679 2.732 20 0 JFADHO Cc1ccccc1Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001290164730 1061905960 /nfs/dbraw/zinc/90/59/60/1061905960.db2.gz WGBHYSOKDHGDNA-VWNXMTODSA-N 1 3 453.679 2.732 20 0 JFADHO Cc1ccccc1Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001290164726 1061906165 /nfs/dbraw/zinc/90/61/65/1061906165.db2.gz WGBHYSOKDHGDNA-ISKFKSNPSA-N 1 3 453.679 2.732 20 0 JFADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)C1 ZINC001294467590 1062016906 /nfs/dbraw/zinc/01/69/06/1062016906.db2.gz HTNHWVXTZAHEIJ-PMVMPFDFSA-N 1 3 494.750 2.859 20 0 JFADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)C1 ZINC001294467590 1062016932 /nfs/dbraw/zinc/01/69/32/1062016932.db2.gz HTNHWVXTZAHEIJ-PMVMPFDFSA-N 1 3 494.750 2.859 20 0 JFADHO CCC[N@H+](CC)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294524142 1062061610 /nfs/dbraw/zinc/06/16/10/1062061610.db2.gz MRIJIPDIFNJVDD-UHFFFAOYSA-N 1 3 466.638 2.573 20 0 JFADHO CCC[N@@H+](CC)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001294524142 1062061636 /nfs/dbraw/zinc/06/16/36/1062061636.db2.gz MRIJIPDIFNJVDD-UHFFFAOYSA-N 1 3 466.638 2.573 20 0 JFADHO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)CC1 ZINC001294682894 1062241500 /nfs/dbraw/zinc/24/15/00/1062241500.db2.gz KDHODSWMULYJDR-FQEVSTJZSA-N 1 3 480.723 2.755 20 0 JFADHO Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001290877395 1062762257 /nfs/dbraw/zinc/76/22/57/1062762257.db2.gz VRZCGRCMHYJMKH-XMMPIXPASA-N 1 3 453.679 2.961 20 0 JFADHO Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001290877395 1062762279 /nfs/dbraw/zinc/76/22/79/1062762279.db2.gz VRZCGRCMHYJMKH-XMMPIXPASA-N 1 3 453.679 2.961 20 0 JFADHO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)CC1)[NH+](C)C ZINC001287334335 1062811753 /nfs/dbraw/zinc/81/17/53/1062811753.db2.gz QYHPANDOMULCIK-QHCPKHFHSA-N 1 3 455.651 2.541 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287748005 1063071440 /nfs/dbraw/zinc/07/14/40/1063071440.db2.gz CYMUWXADPUXHQV-XMMPIXPASA-N 1 3 450.672 2.685 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[N@H+](C)C(C)C)CC1 ZINC001287759675 1063086008 /nfs/dbraw/zinc/08/60/08/1063086008.db2.gz DLKPSTYMWKDZPT-UHFFFAOYSA-N 1 3 452.607 2.712 20 0 JFADHO CC(C)CN1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[N@@H+](C)C(C)C)CC1 ZINC001287759675 1063086033 /nfs/dbraw/zinc/08/60/33/1063086033.db2.gz DLKPSTYMWKDZPT-UHFFFAOYSA-N 1 3 452.607 2.712 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1C ZINC001295367030 1063331186 /nfs/dbraw/zinc/33/11/86/1063331186.db2.gz RVYVTCGWCWRPIH-VAMGGRTRSA-N 1 3 476.691 2.998 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001295482603 1063502766 /nfs/dbraw/zinc/50/27/66/1063502766.db2.gz URYPQQYGCPPPOX-WXVAWEFUSA-N 1 3 496.704 2.841 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295490923 1063519381 /nfs/dbraw/zinc/51/93/81/1063519381.db2.gz JJTFRPWVGHBUEA-SZPZYZBQSA-N 1 3 487.737 2.978 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295490923 1063519398 /nfs/dbraw/zinc/51/93/98/1063519398.db2.gz JJTFRPWVGHBUEA-SZPZYZBQSA-N 1 3 487.737 2.978 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001295561452 1063594956 /nfs/dbraw/zinc/59/49/56/1063594956.db2.gz UXQHEBYJUIIGOH-HXUWFJFHSA-N 1 3 471.625 2.559 20 0 JFADHO CCN(CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)CCC(F)(F)F ZINC001295839866 1063859069 /nfs/dbraw/zinc/85/90/69/1063859069.db2.gz ZKVAVSGPISDTGJ-GOSISDBHSA-N 1 3 469.556 2.706 20 0 JFADHO CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001295853877 1063881630 /nfs/dbraw/zinc/88/16/30/1063881630.db2.gz BFPMIUFXWBQUFK-DEOSSOPVSA-N 1 3 481.689 2.650 20 0 JFADHO CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC001295853877 1063881635 /nfs/dbraw/zinc/88/16/35/1063881635.db2.gz BFPMIUFXWBQUFK-DEOSSOPVSA-N 1 3 481.689 2.650 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001295975245 1064018809 /nfs/dbraw/zinc/01/88/09/1064018809.db2.gz BHYDVERGVCEFJD-WOJBJXKFSA-N 1 3 454.623 2.720 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001295978632 1064025432 /nfs/dbraw/zinc/02/54/32/1064025432.db2.gz MXKOKQWMUSEGHX-AABGKKOBSA-N 1 3 456.639 2.821 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291502303 1064052775 /nfs/dbraw/zinc/05/27/75/1064052775.db2.gz FGMJORGZYADKFI-AUSIDOKSSA-N 1 3 450.697 2.778 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296003436 1064059011 /nfs/dbraw/zinc/05/90/11/1064059011.db2.gz UEWGTFFORHWLSD-VXKWHMMOSA-N 1 3 454.663 2.943 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001296011469 1064071640 /nfs/dbraw/zinc/07/16/40/1064071640.db2.gz PNPQAZTWYBDXQL-FGZHOGPDSA-N 1 3 486.709 2.948 20 0 JFADHO CC[NH+]1CCC(CCn2c(C)nnc2N2CCN(CCN(C)Cc3ccccc3)CC2)CC1 ZINC001296021096 1064082030 /nfs/dbraw/zinc/08/20/30/1064082030.db2.gz FNWINZBIIFDJGH-UHFFFAOYSA-N 1 3 453.679 2.963 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001291582836 1064114894 /nfs/dbraw/zinc/11/48/94/1064114894.db2.gz MTLOLDRGGADDGC-OAQYLSRUSA-N 1 3 459.683 2.801 20 0 JFADHO CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291582836 1064114903 /nfs/dbraw/zinc/11/49/03/1064114903.db2.gz MTLOLDRGGADDGC-OAQYLSRUSA-N 1 3 459.683 2.801 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296132228 1064228906 /nfs/dbraw/zinc/22/89/06/1064228906.db2.gz RYHRQAJAZKMLRE-OAQYLSRUSA-N 1 3 459.708 2.877 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296132228 1064228914 /nfs/dbraw/zinc/22/89/14/1064228914.db2.gz RYHRQAJAZKMLRE-OAQYLSRUSA-N 1 3 459.708 2.877 20 0 JFADHO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001291771441 1064254355 /nfs/dbraw/zinc/25/43/55/1064254355.db2.gz FMEXBUVEWHISHV-NRFANRHFSA-N 1 3 455.651 2.927 20 0 JFADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001291771441 1064254359 /nfs/dbraw/zinc/25/43/59/1064254359.db2.gz FMEXBUVEWHISHV-NRFANRHFSA-N 1 3 455.651 2.927 20 0 JFADHO CC[C@H](C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291774021 1064261288 /nfs/dbraw/zinc/26/12/88/1064261288.db2.gz WQTZUZMBPOJHJX-IBGZPJMESA-N 1 3 480.661 2.843 20 0 JFADHO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001291774021 1064261296 /nfs/dbraw/zinc/26/12/96/1064261296.db2.gz WQTZUZMBPOJHJX-IBGZPJMESA-N 1 3 480.661 2.843 20 0 JFADHO CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291782475 1064271800 /nfs/dbraw/zinc/27/18/00/1064271800.db2.gz PGPILCHCQHTZMV-UPVQGACJSA-N 1 3 468.694 2.599 20 0 JFADHO CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291782475 1064271810 /nfs/dbraw/zinc/27/18/10/1064271810.db2.gz PGPILCHCQHTZMV-UPVQGACJSA-N 1 3 468.694 2.599 20 0 JFADHO CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001296163215 1064276631 /nfs/dbraw/zinc/27/66/31/1064276631.db2.gz RYHPANOYUNZNRJ-QHCPKHFHSA-N 1 3 467.706 2.981 20 0 JFADHO CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001296162832 1064276702 /nfs/dbraw/zinc/27/67/02/1064276702.db2.gz PXZOMKDUIOLBPQ-NRFANRHFSA-N 1 3 471.669 2.812 20 0 JFADHO CC[C@H](c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291888801 1064513109 /nfs/dbraw/zinc/51/31/09/1064513109.db2.gz RGLZEQDUZHZWFK-BJKOFHAPSA-N 1 3 481.689 2.903 20 0 JFADHO CC[C@H](c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291888801 1064513121 /nfs/dbraw/zinc/51/31/21/1064513121.db2.gz RGLZEQDUZHZWFK-BJKOFHAPSA-N 1 3 481.689 2.903 20 0 JFADHO Cc1cccc(N2CCN(CCC(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)CC2)c1 ZINC001296281098 1064552328 /nfs/dbraw/zinc/55/23/28/1064552328.db2.gz SNZYQWAFQCTPJI-AREMUKBSSA-N 1 3 450.627 2.780 20 0 JFADHO Cc1cccc(N2CCN(CCC(=O)NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)CC2)c1 ZINC001296281098 1064552344 /nfs/dbraw/zinc/55/23/44/1064552344.db2.gz SNZYQWAFQCTPJI-AREMUKBSSA-N 1 3 450.627 2.780 20 0 JFADHO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001292124029 1064864078 /nfs/dbraw/zinc/86/40/78/1064864078.db2.gz DDURYVUYIXLEMN-UHFFFAOYSA-N 1 3 489.709 2.620 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893142 1065592541 /nfs/dbraw/zinc/59/25/41/1065592541.db2.gz LHSSXWWGVIHIAJ-RCZVLFRGSA-N 1 3 487.737 2.978 20 0 JFADHO CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292894372 1065595862 /nfs/dbraw/zinc/59/58/62/1065595862.db2.gz XGNUJDGLIJFDTG-KHUIQGCPSA-N 1 3 487.737 2.976 20 0 JFADHO CCc1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292894372 1065595873 /nfs/dbraw/zinc/59/58/73/1065595873.db2.gz XGNUJDGLIJFDTG-KHUIQGCPSA-N 1 3 487.737 2.976 20 0 JFADHO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CC=CCC2)CCN1CCOC ZINC001294086899 1066558425 /nfs/dbraw/zinc/55/84/25/1066558425.db2.gz ZWYOXEKYWCGLHE-QFIPXVFZSA-N 1 3 453.635 2.848 20 0 JFADHO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CC=CCC2)CCN1CCOC ZINC001294086899 1066558432 /nfs/dbraw/zinc/55/84/32/1066558432.db2.gz ZWYOXEKYWCGLHE-QFIPXVFZSA-N 1 3 453.635 2.848 20 0 JFADHO O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCOCC34C[NH2+]C4)c21 ZINC001164402123 718860411 /nfs/dbraw/zinc/86/04/11/718860411.db2.gz IUSZCZKQOFUUNJ-UHFFFAOYSA-N 1 3 454.958 2.575 20 0 JFADHO CC(C)N(C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681796 719632229 /nfs/dbraw/zinc/63/22/29/719632229.db2.gz KPRKTWGAIHCOIC-IBGZPJMESA-N 1 3 497.688 2.552 20 0 JFADHO Cc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001289595807 1061239573 /nfs/dbraw/zinc/23/95/73/1061239573.db2.gz RLQHOQCNSIVAAE-NRFANRHFSA-N 1 3 471.650 2.708 20 0 JFADHO Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC001289600476 1061244740 /nfs/dbraw/zinc/24/47/40/1061244740.db2.gz MOJSLMOTFQYAIB-NRFANRHFSA-N 1 3 471.650 2.567 20 0 JFADHO Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC001289600476 1061244760 /nfs/dbraw/zinc/24/47/60/1061244760.db2.gz MOJSLMOTFQYAIB-NRFANRHFSA-N 1 3 471.650 2.567 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001286869916 1061263687 /nfs/dbraw/zinc/26/36/87/1061263687.db2.gz GQKXPWKBXIUUTK-MQSCRBSSSA-N 1 3 459.683 2.512 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001286869916 1061263706 /nfs/dbraw/zinc/26/37/06/1061263706.db2.gz GQKXPWKBXIUUTK-MQSCRBSSSA-N 1 3 459.683 2.512 20 0 JFADHO CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001286870300 1061265336 /nfs/dbraw/zinc/26/53/36/1061265336.db2.gz IPMUTQYBLQHSKQ-RDGATRHJSA-N 1 3 496.704 2.838 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872781 1061281185 /nfs/dbraw/zinc/28/11/85/1061281185.db2.gz XWXRCYBBXLLCDB-NZQKXSOJSA-N 1 3 459.683 2.655 20 0 JFADHO CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872781 1061281200 /nfs/dbraw/zinc/28/12/00/1061281200.db2.gz XWXRCYBBXLLCDB-NZQKXSOJSA-N 1 3 459.683 2.655 20 0 JFADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)C1 ZINC001294467589 1062016786 /nfs/dbraw/zinc/01/67/86/1062016786.db2.gz HTNHWVXTZAHEIJ-MDNUFGMLSA-N 1 3 494.750 2.859 20 0 JFADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)N(C)C)C1 ZINC001294467589 1062016804 /nfs/dbraw/zinc/01/68/04/1062016804.db2.gz HTNHWVXTZAHEIJ-MDNUFGMLSA-N 1 3 494.750 2.859 20 0 JFADHO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)C1 ZINC001294467591 1062017145 /nfs/dbraw/zinc/01/71/45/1062017145.db2.gz HTNHWVXTZAHEIJ-WWNPGLIZSA-N 1 3 494.750 2.859 20 0 JFADHO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)C1 ZINC001294467591 1062017163 /nfs/dbraw/zinc/01/71/63/1062017163.db2.gz HTNHWVXTZAHEIJ-WWNPGLIZSA-N 1 3 494.750 2.859 20 0 JFADHO CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001294515620 1062052247 /nfs/dbraw/zinc/05/22/47/1062052247.db2.gz IRZLMIWEVAOHTM-JOCHJYFZSA-N 1 3 454.667 2.597 20 0 JFADHO CCC[N@@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001294515620 1062052268 /nfs/dbraw/zinc/05/22/68/1062052268.db2.gz IRZLMIWEVAOHTM-JOCHJYFZSA-N 1 3 454.667 2.597 20 0 JFADHO CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519895 1062056560 /nfs/dbraw/zinc/05/65/60/1062056560.db2.gz GTJXHJDUVMSBGB-XZOQPEGZSA-N 1 3 494.750 2.860 20 0 JFADHO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001294631994 1062139020 /nfs/dbraw/zinc/13/90/20/1062139020.db2.gz DXMCEFKKGPJLJI-ATKRNPRHSA-N 1 3 459.683 2.849 20 0 JFADHO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC(C)CC3)CC2)C1 ZINC001294631994 1062139027 /nfs/dbraw/zinc/13/90/27/1062139027.db2.gz DXMCEFKKGPJLJI-ATKRNPRHSA-N 1 3 459.683 2.849 20 0 JFADHO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 ZINC001294684219 1062243859 /nfs/dbraw/zinc/24/38/59/1062243859.db2.gz UDHBEPPLZUAIBA-YADHBBJMSA-N 1 3 494.750 2.859 20 0 JFADHO CC(C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287200567 1062638334 /nfs/dbraw/zinc/63/83/34/1062638334.db2.gz FVAXRYFQIFSFJT-JOCHJYFZSA-N 1 3 459.683 2.799 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001287461763 1062900109 /nfs/dbraw/zinc/90/01/09/1062900109.db2.gz CARUNYMZHDMOPL-ZLNRFVROSA-N 1 3 487.737 2.976 20 0 JFADHO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001287463155 1062904993 /nfs/dbraw/zinc/90/49/93/1062904993.db2.gz WIAAIBGWFSPXBZ-AOJNWGRGSA-N 1 3 473.710 2.730 20 0 JFADHO CC1CCC(N2CCN(c3nnc(C(=O)N4CCCC4)n3CC(C)(C)C[NH+](C)C)CC2)CC1 ZINC001291061297 1062996991 /nfs/dbraw/zinc/99/69/91/1062996991.db2.gz GSWBTMCUPXOREK-UHFFFAOYSA-N 1 3 459.683 2.803 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287748653 1063072456 /nfs/dbraw/zinc/07/24/56/1063072456.db2.gz AVUGXRKIGSBSDP-JYFHCDHNSA-N 1 3 492.709 2.598 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287748653 1063072477 /nfs/dbraw/zinc/07/24/77/1063072477.db2.gz AVUGXRKIGSBSDP-JYFHCDHNSA-N 1 3 492.709 2.598 20 0 JFADHO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001287749129 1063073885 /nfs/dbraw/zinc/07/38/85/1063073885.db2.gz DVNHFYUBGDJXGF-DNQXCXABSA-N 1 3 480.723 2.534 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001295363356 1063323684 /nfs/dbraw/zinc/32/36/84/1063323684.db2.gz VBVHDEHGLIUTFX-ROUUACIJSA-N 1 3 494.482 2.925 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001295365831 1063328688 /nfs/dbraw/zinc/32/86/88/1063328688.db2.gz MQBGQIFVTVSKJM-FQEVSTJZSA-N 1 3 486.661 2.994 20 0 JFADHO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001295371005 1063336804 /nfs/dbraw/zinc/33/68/04/1063336804.db2.gz OFAMTJTWSHDFFZ-LEWJYISDSA-N 1 3 456.635 2.843 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295482210 1063496879 /nfs/dbraw/zinc/49/68/79/1063496879.db2.gz GEBUEXJBEIYOBA-UHFFFAOYSA-N 1 3 471.650 2.713 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295482443 1063501623 /nfs/dbraw/zinc/50/16/23/1063501623.db2.gz ONDDUQXNKDVINJ-DEOSSOPVSA-N 1 3 492.672 2.577 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001295482592 1063502902 /nfs/dbraw/zinc/50/29/02/1063502902.db2.gz UKXFFWZLOLWTLA-UHFFFAOYSA-N 1 3 493.656 2.947 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001295483797 1063508247 /nfs/dbraw/zinc/50/82/47/1063508247.db2.gz IBJIXHBPUWFYGY-JOCHJYFZSA-N 1 3 496.704 2.761 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001295483798 1063508455 /nfs/dbraw/zinc/50/84/55/1063508455.db2.gz IBJIXHBPUWFYGY-QFIPXVFZSA-N 1 3 496.704 2.761 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295483807 1063509411 /nfs/dbraw/zinc/50/94/11/1063509411.db2.gz IMAXMRSTEIUNQV-DHIUTWEWSA-N 1 3 489.709 2.631 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295483807 1063509435 /nfs/dbraw/zinc/50/94/35/1063509435.db2.gz IMAXMRSTEIUNQV-DHIUTWEWSA-N 1 3 489.709 2.631 20 0 JFADHO CCN(CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001295491045 1063521174 /nfs/dbraw/zinc/52/11/74/1063521174.db2.gz NSMGFPVIRSEIDC-RLWLMLJZSA-N 1 3 473.710 2.732 20 0 JFADHO CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)c1 ZINC001295494098 1063528237 /nfs/dbraw/zinc/52/82/37/1063528237.db2.gz YRKSZLIFQQJHAG-RLWLMLJZSA-N 1 3 481.689 2.856 20 0 JFADHO CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)c1 ZINC001295494097 1063528402 /nfs/dbraw/zinc/52/84/02/1063528402.db2.gz YRKSZLIFQQJHAG-QFQXNSOFSA-N 1 3 481.689 2.856 20 0 JFADHO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001295560744 1063594001 /nfs/dbraw/zinc/59/40/01/1063594001.db2.gz MVOUEHQGKDHDQQ-YADHBBJMSA-N 1 3 456.683 2.619 20 0 JFADHO CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291288628 1063651444 /nfs/dbraw/zinc/65/14/44/1063651444.db2.gz WBKPOHAMWYZUFP-QFIPXVFZSA-N 1 3 472.682 2.700 20 0 JFADHO CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291288628 1063651449 /nfs/dbraw/zinc/65/14/49/1063651449.db2.gz WBKPOHAMWYZUFP-QFIPXVFZSA-N 1 3 472.682 2.700 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001295978638 1064026190 /nfs/dbraw/zinc/02/61/90/1064026190.db2.gz MXKOKQWMUSEGHX-UFYCRDLUSA-N 1 3 456.639 2.821 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296002969 1064057860 /nfs/dbraw/zinc/05/78/60/1064057860.db2.gz PDHORRDYOMNKLF-WOJBJXKFSA-N 1 3 458.626 2.774 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296002967 1064058012 /nfs/dbraw/zinc/05/80/12/1064058012.db2.gz PDHORRDYOMNKLF-UXHICEINSA-N 1 3 458.626 2.774 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296003434 1064059031 /nfs/dbraw/zinc/05/90/31/1064059031.db2.gz UEWGTFFORHWLSD-FGZHOGPDSA-N 1 3 454.663 2.943 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296010587 1064069156 /nfs/dbraw/zinc/06/91/56/1064069156.db2.gz QQTJSJNOVYULIP-ZWKOTPCHSA-N 1 3 461.680 2.664 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001296011279 1064070616 /nfs/dbraw/zinc/07/06/16/1064070616.db2.gz UVDIKBFTZPTEDQ-RZUBCFFCSA-N 1 3 459.683 2.830 20 0 JFADHO CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001296011468 1064071710 /nfs/dbraw/zinc/07/17/10/1064071710.db2.gz PNPQAZTWYBDXQL-FCHUYYIVSA-N 1 3 486.709 2.948 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001296013858 1064075178 /nfs/dbraw/zinc/07/51/78/1064075178.db2.gz OUFKKQOBWFXDIH-PCCBWWKXSA-N 1 3 474.625 2.762 20 0 JFADHO CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001296013858 1064075189 /nfs/dbraw/zinc/07/51/89/1064075189.db2.gz OUFKKQOBWFXDIH-PCCBWWKXSA-N 1 3 474.625 2.762 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001291579261 1064105381 /nfs/dbraw/zinc/10/53/81/1064105381.db2.gz IOQWPZWBLNALOI-FDFHNCONSA-N 1 3 459.683 2.655 20 0 JFADHO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001291579261 1064105382 /nfs/dbraw/zinc/10/53/82/1064105382.db2.gz IOQWPZWBLNALOI-FDFHNCONSA-N 1 3 459.683 2.655 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001296130090 1064223650 /nfs/dbraw/zinc/22/36/50/1064223650.db2.gz BTHGKRKDSHIXFE-HXUWFJFHSA-N 1 3 488.750 2.970 20 0 JFADHO CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001296130804 1064224156 /nfs/dbraw/zinc/22/41/56/1064224156.db2.gz GGBAMMYHXFJOMS-OAQYLSRUSA-N 1 3 456.683 2.620 20 0 JFADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001291771442 1064254278 /nfs/dbraw/zinc/25/42/78/1064254278.db2.gz FMEXBUVEWHISHV-OAQYLSRUSA-N 1 3 455.651 2.927 20 0 JFADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001291771442 1064254281 /nfs/dbraw/zinc/25/42/81/1064254281.db2.gz FMEXBUVEWHISHV-OAQYLSRUSA-N 1 3 455.651 2.927 20 0 JFADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001291772878 1064256841 /nfs/dbraw/zinc/25/68/41/1064256841.db2.gz QLGUQMSPGYCRPK-FGZHOGPDSA-N 1 3 454.667 2.595 20 0 JFADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001291772878 1064256847 /nfs/dbraw/zinc/25/68/47/1064256847.db2.gz QLGUQMSPGYCRPK-FGZHOGPDSA-N 1 3 454.667 2.595 20 0 JFADHO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001291772880 1064256906 /nfs/dbraw/zinc/25/69/06/1064256906.db2.gz QLGUQMSPGYCRPK-YADHBBJMSA-N 1 3 454.667 2.595 20 0 JFADHO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001291772880 1064256914 /nfs/dbraw/zinc/25/69/14/1064256914.db2.gz QLGUQMSPGYCRPK-YADHBBJMSA-N 1 3 454.667 2.595 20 0 JFADHO CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001296163214 1064277069 /nfs/dbraw/zinc/27/70/69/1064277069.db2.gz RYHPANOYUNZNRJ-HSZRJFAPSA-N 1 3 467.706 2.981 20 0 JFADHO CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967938 1064583304 /nfs/dbraw/zinc/58/33/04/1064583304.db2.gz NSIOWXAWWBGTFZ-IEIRFRATSA-N 1 3 462.683 2.838 20 0 JFADHO CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001292513261 1065232657 /nfs/dbraw/zinc/23/26/57/1065232657.db2.gz BJSAPMQLSQWFIK-JOCHJYFZSA-N 1 3 481.689 2.982 20 0 JFADHO CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001292513261 1065232668 /nfs/dbraw/zinc/23/26/68/1065232668.db2.gz BJSAPMQLSQWFIK-JOCHJYFZSA-N 1 3 481.689 2.982 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001292893442 1065594248 /nfs/dbraw/zinc/59/42/48/1065594248.db2.gz OBAMSMJCHNOMMM-RCZVLFRGSA-N 1 3 481.689 2.742 20 0 JFADHO CCc1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001292893442 1065594258 /nfs/dbraw/zinc/59/42/58/1065594258.db2.gz OBAMSMJCHNOMMM-RCZVLFRGSA-N 1 3 481.689 2.742 20 0 JFADHO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293364369 1065969309 /nfs/dbraw/zinc/96/93/09/1065969309.db2.gz FMVAHZUFEAQYTH-QHCPKHFHSA-N 1 3 482.677 2.595 20 0 JFADHO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293364369 1065969318 /nfs/dbraw/zinc/96/93/18/1065969318.db2.gz FMVAHZUFEAQYTH-QHCPKHFHSA-N 1 3 482.677 2.595 20 0 JFADHO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001294082148 1066550831 /nfs/dbraw/zinc/55/08/31/1066550831.db2.gz PWPZSHRCDYIYBQ-PKTZIBPZSA-N 1 3 462.683 2.841 20 0 JFADHO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CCN1CCOC ZINC001294082147 1066550865 /nfs/dbraw/zinc/55/08/65/1066550865.db2.gz PWPZSHRCDYIYBQ-GOTSBHOMSA-N 1 3 462.683 2.841 20 0 JFADHO