smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1CCNC(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000029415340 717119231 /nfs/dbraw/zinc/11/92/31/717119231.db2.gz FVTXPWFEQBZWOC-MRXNPFEDSA-O 1 0 303.470 3.061 10 30 DGEERO CCOC(=O)c1[nH]c(C)c(C(=O)C[N+](C)(C)C2CCCC2)c1C ZINC000011156749 717106556 /nfs/dbraw/zinc/10/65/56/717106556.db2.gz UQBQGYVSSVDJND-UHFFFAOYSA-O 1 0 321.441 3.010 10 30 DGEERO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N+](C)(C)C1CCCC1 ZINC000015457855 717111670 /nfs/dbraw/zinc/11/16/70/717111670.db2.gz RCQKEASIGSKURE-ZDUSSCGKSA-O 1 0 309.861 3.364 10 30 DGEERO CC(=O)c1ccccc1NC(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000015457955 717112358 /nfs/dbraw/zinc/11/23/58/717112358.db2.gz DYBXNVSALSOVRH-ZDUSSCGKSA-O 1 0 303.426 3.235 10 30 DGEERO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000024951750 717113609 /nfs/dbraw/zinc/11/36/09/717113609.db2.gz CNCNBDLUDRFTQM-AWEZNQCLSA-O 1 0 318.441 3.051 10 30 DGEERO CC[N@@H+]1CCCN(c2cc(Br)ccc2C#N)[C@H](C)C1 ZINC000320915793 1095955319 /nfs/dbraw/zinc/95/53/19/1095955319.db2.gz RGXHRIQRWMLLOH-GFCCVEGCSA-N 1 0 322.250 3.241 10 30 DGEERO C#CCC[C@@H](O)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000717848744 1104420565 /nfs/dbraw/zinc/42/05/65/1104420565.db2.gz KOEZTTWADNOUAR-AVVWSFFYSA-N 1 0 322.246 3.059 10 30 DGEERO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000092704848 185334139 /nfs/dbraw/zinc/33/41/39/185334139.db2.gz TZVHNVWULLQBCF-OAHLLOKOSA-N 1 0 317.433 3.060 10 30 DGEERO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000246055718 529870124 /nfs/dbraw/zinc/87/01/24/529870124.db2.gz VHJWZNYBVIFNIV-QRVBRYPASA-N 1 0 313.445 3.084 10 30 DGEERO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000127996912 530014735 /nfs/dbraw/zinc/01/47/35/530014735.db2.gz YLVKVZCJJCTEPQ-SFHVURJKSA-N 1 0 324.428 3.075 10 30 DGEERO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 ZINC000328740332 283058751 /nfs/dbraw/zinc/05/87/51/283058751.db2.gz IJCUXGKOTBIVHA-PWSUYJOCSA-N 1 0 312.339 3.300 10 30 DGEERO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1F ZINC000281398197 283093365 /nfs/dbraw/zinc/09/33/65/283093365.db2.gz NHPQDODYGXHJOU-KBAYOESNSA-N 1 0 302.393 3.213 10 30 DGEERO N#Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000262044321 283108500 /nfs/dbraw/zinc/10/85/00/283108500.db2.gz CFNWYUWUGDBHKR-VZJVUDMVSA-N 1 0 309.335 3.141 10 30 DGEERO COc1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)cc1C#N ZINC000169148296 432070672 /nfs/dbraw/zinc/07/06/72/432070672.db2.gz JCJAEBBDSGGKTK-CXAGYDPISA-N 1 0 308.381 3.221 10 30 DGEERO C=CCc1cc(C[NH2+]CCCC2CCOCC2)cc(OC)c1O ZINC000449353782 240152731 /nfs/dbraw/zinc/15/27/31/240152731.db2.gz GOGOMUCXWLYVLM-UHFFFAOYSA-N 1 0 319.445 3.426 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1 ZINC000449366530 240158232 /nfs/dbraw/zinc/15/82/32/240158232.db2.gz WYBUIKGZQANPHD-SFHVURJKSA-N 1 0 315.388 3.084 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(=O)OC)cc1 ZINC000449508807 240256817 /nfs/dbraw/zinc/25/68/17/240256817.db2.gz HVGFFGUQKVDGFQ-SJORKVTESA-N 1 0 303.402 3.073 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2COCC2(C)C)ccc1OC ZINC000449622390 240322491 /nfs/dbraw/zinc/32/24/91/240322491.db2.gz DULZUSOTEPDIJB-QGZVFWFLSA-N 1 0 305.418 3.165 10 30 DGEERO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000180946759 432106471 /nfs/dbraw/zinc/10/64/71/432106471.db2.gz BBANYDBVTXCABP-LSDHHAIUSA-N 1 0 324.490 3.332 10 30 DGEERO N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000091966755 193133577 /nfs/dbraw/zinc/13/35/77/193133577.db2.gz NEMBAIQLHKSEPM-MAUKXSAKSA-N 1 0 314.360 3.378 10 30 DGEERO C=CCC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246221945 432109130 /nfs/dbraw/zinc/10/91/30/432109130.db2.gz BKUCQKVIEQWKBM-ROUUACIJSA-N 1 0 313.445 3.184 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](CC)CC[C@@H]2C)CC1 ZINC000454471780 241958016 /nfs/dbraw/zinc/95/80/16/241958016.db2.gz ZFVRPHMVSCJQIY-JKSUJKDBSA-N 1 0 307.482 3.247 10 30 DGEERO C=C(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000455309600 242165074 /nfs/dbraw/zinc/16/50/74/242165074.db2.gz LIIGSURRBHXMJD-GOEBONIOSA-N 1 0 321.490 3.396 10 30 DGEERO C=C(C)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000455309608 242165375 /nfs/dbraw/zinc/16/53/75/242165375.db2.gz LIIGSURRBHXMJD-ZBFHGGJFSA-N 1 0 321.490 3.396 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458277602 243016493 /nfs/dbraw/zinc/01/64/93/243016493.db2.gz DZPCOTILZQQAHY-ZDUSSCGKSA-N 1 0 308.397 3.307 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2Cc3ccc(Cl)cc3C2)CC1 ZINC000458330416 243033554 /nfs/dbraw/zinc/03/35/54/243033554.db2.gz GQGSGCONSZGVHH-UHFFFAOYSA-N 1 0 319.836 3.016 10 30 DGEERO C=CCN1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459508226 243395202 /nfs/dbraw/zinc/39/52/02/243395202.db2.gz MPPLCOYRDISKEA-UHFFFAOYSA-N 1 0 319.880 3.112 10 30 DGEERO C=CCNC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000471374319 244212665 /nfs/dbraw/zinc/21/26/65/244212665.db2.gz LQTRQHGQPNXJCT-WBVHZDCISA-N 1 0 301.434 3.039 10 30 DGEERO N#Cc1cccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000094368351 193366628 /nfs/dbraw/zinc/36/66/28/193366628.db2.gz WFRXOEBBIREARP-INIZCTEOSA-N 1 0 302.443 3.093 10 30 DGEERO Cc1cccc(NC[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC000171365324 432127027 /nfs/dbraw/zinc/12/70/27/432127027.db2.gz SXZYVATVOVIZOU-HNNXBMFYSA-N 1 0 310.376 3.339 10 30 DGEERO CC(C)(C)CC(C)(C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128392372 284373614 /nfs/dbraw/zinc/37/36/14/284373614.db2.gz MOEGQRUDBSLBKX-UHFFFAOYSA-N 1 0 322.474 3.136 10 30 DGEERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CCC#N)C1CC1 ZINC000042955428 183321618 /nfs/dbraw/zinc/32/16/18/183321618.db2.gz VPWCZOAJSNOECF-XHDPSFHLSA-N 1 0 322.250 3.215 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)C[C@@H](C)C#N ZINC000042955209 183322392 /nfs/dbraw/zinc/32/23/92/183322392.db2.gz YJDFZIJQSWKLHR-TUKIKUTGSA-N 1 0 324.266 3.319 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(CC)CCC#N ZINC000043093263 183336696 /nfs/dbraw/zinc/33/66/96/183336696.db2.gz VANJZUCJJKPXEP-GJZGRUSLSA-N 1 0 324.266 3.463 10 30 DGEERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CCC#N)C1CC1 ZINC000043093410 183336756 /nfs/dbraw/zinc/33/67/56/183336756.db2.gz FVMOEBNOEVYHEE-NHYWBVRUSA-N 1 0 322.250 3.215 10 30 DGEERO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(-n2ccnn2)cc1 ZINC000119871494 195052887 /nfs/dbraw/zinc/05/28/87/195052887.db2.gz HTHSXBJAOLMNJT-GFCCVEGCSA-N 1 0 309.398 3.051 10 30 DGEERO COc1cc2c(c(C[NH2+]CC3CCC(C#N)CC3)c1)O[C@@H](C)C2 ZINC000441372587 533149623 /nfs/dbraw/zinc/14/96/23/533149623.db2.gz XKKKVCDLMKEOFK-NFOMZHRRSA-N 1 0 314.429 3.438 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(CC)CC)cc1 ZINC000092509709 400178220 /nfs/dbraw/zinc/17/82/20/400178220.db2.gz QPGYLQHHCSWRIU-GOSISDBHSA-N 1 0 316.445 3.084 10 30 DGEERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616606416 400183061 /nfs/dbraw/zinc/18/30/61/400183061.db2.gz AOYSRXWQNAFMGL-MRXNPFEDSA-N 1 0 315.417 3.220 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000091506491 400124886 /nfs/dbraw/zinc/12/48/86/400124886.db2.gz HPYIZOASQRFRIR-INIZCTEOSA-N 1 0 316.445 3.198 10 30 DGEERO C=C(CC)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000313483605 400137927 /nfs/dbraw/zinc/13/79/27/400137927.db2.gz OUKKYFKZYNMFEA-NSHDSACASA-N 1 0 304.217 3.289 10 30 DGEERO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C3CC3)CC2)nc1 ZINC000585794103 400142408 /nfs/dbraw/zinc/14/24/08/400142408.db2.gz DUTUVEYLUWRAMG-RBUKOAKNSA-N 1 0 324.472 3.480 10 30 DGEERO Cn1ccnc1C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000610512291 400268289 /nfs/dbraw/zinc/26/82/89/400268289.db2.gz PZKFQWPDWDJKPW-KRWDZBQOSA-N 1 0 322.437 3.427 10 30 DGEERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000070786491 400356650 /nfs/dbraw/zinc/35/66/50/400356650.db2.gz DCTNHDFWKSPJJZ-GJZGRUSLSA-N 1 0 301.434 3.221 10 30 DGEERO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592392817 400643353 /nfs/dbraw/zinc/64/33/53/400643353.db2.gz BKKMHAIYXSNPHI-CABCVRRESA-N 1 0 311.466 3.315 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[C@H](C)C2)CC1 ZINC000604652377 400794156 /nfs/dbraw/zinc/79/41/56/400794156.db2.gz JTHROJOUYORSLS-JKSUJKDBSA-N 1 0 307.482 3.152 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000593593369 400878048 /nfs/dbraw/zinc/87/80/48/400878048.db2.gz ACGNTQROFIQCGK-CRAIPNDOSA-N 1 0 310.445 3.256 10 30 DGEERO C=CCCC[C@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000180792160 400885582 /nfs/dbraw/zinc/88/55/82/400885582.db2.gz KZJCDYOYWWWWAE-AWEZNQCLSA-N 1 0 321.440 3.431 10 30 DGEERO C=CCCCCCN(C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624782900 400949801 /nfs/dbraw/zinc/94/98/01/400949801.db2.gz CBPQUJHZEMHNBF-QGZVFWFLSA-N 1 0 307.482 3.391 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000194127367 400919360 /nfs/dbraw/zinc/91/93/60/400919360.db2.gz QZZWFQHYLQYOQP-QGZVFWFLSA-N 1 0 319.836 3.143 10 30 DGEERO C[C@]1(/[N+](O)=C/c2ccc(Br)cc2)CCCCC1=O ZINC000225398966 400956963 /nfs/dbraw/zinc/95/69/63/400956963.db2.gz PNTOHYMFZCUJFH-FBKCMUNRSA-N 1 0 311.199 3.172 10 30 DGEERO C#CC[C@H]([NH3+])c1ccc(Br)cc1Br ZINC000236305019 400978286 /nfs/dbraw/zinc/97/82/86/400978286.db2.gz PWGPELCIQOMTJD-JTQLQIEISA-N 1 0 302.997 3.235 10 30 DGEERO C#CC[C@@H]([NH3+])c1cc(Br)cc(Br)c1 ZINC000236315954 400978578 /nfs/dbraw/zinc/97/85/78/400978578.db2.gz DXFWSMNODSBWHI-SNVBAGLBSA-N 1 0 302.997 3.235 10 30 DGEERO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000594424583 401061329 /nfs/dbraw/zinc/06/13/29/401061329.db2.gz GFSSAFVGMUVNDN-LBPRGKRZSA-N 1 0 300.189 3.343 10 30 DGEERO Cc1ccc(OCC[N@@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000057972164 401039935 /nfs/dbraw/zinc/03/99/35/401039935.db2.gz GDQFWVKRJKGMFI-UHFFFAOYSA-N 1 0 310.397 3.256 10 30 DGEERO C=C(C)[C@H]([NH2+]CCOC1CCOCC1)c1ccc(F)c(F)c1 ZINC000625340298 401104434 /nfs/dbraw/zinc/10/44/34/401104434.db2.gz MMFJAMAQNYGLNX-KRWDZBQOSA-N 1 0 311.372 3.367 10 30 DGEERO C=CCOc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000620483481 401105342 /nfs/dbraw/zinc/10/53/42/401105342.db2.gz FEAPCIUHDUKODL-UHFFFAOYSA-N 1 0 316.445 3.246 10 30 DGEERO C=CCCC1(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000594709132 401156741 /nfs/dbraw/zinc/15/67/41/401156741.db2.gz DUKHSGCLVGAMIP-KRWDZBQOSA-N 1 0 311.429 3.201 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000630023956 401159741 /nfs/dbraw/zinc/15/97/41/401159741.db2.gz QHHSVUJFMBKHRC-HZPDHXFCSA-N 1 0 316.445 3.325 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1 ZINC000594961995 401209733 /nfs/dbraw/zinc/20/97/33/401209733.db2.gz CPMPHTTVMVZVJD-LDBYXDLTSA-N 1 0 307.459 3.031 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000625699660 401184191 /nfs/dbraw/zinc/18/41/91/401184191.db2.gz CBRSIGNZKPDDBS-ZDUSSCGKSA-N 1 0 322.836 3.494 10 30 DGEERO C=CC[C@H]1CC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000625703181 401188160 /nfs/dbraw/zinc/18/81/60/401188160.db2.gz RBIGTZJTMDIADG-XJKSGUPXSA-N 1 0 302.443 3.388 10 30 DGEERO C=CCC1([NH2+]CC(=O)NCc2ccc(OC)cc2)CCCCC1 ZINC000625937068 401259639 /nfs/dbraw/zinc/25/96/39/401259639.db2.gz KDHUBNSENJUPFM-UHFFFAOYSA-N 1 0 316.445 3.180 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000630907040 401351429 /nfs/dbraw/zinc/35/14/29/401351429.db2.gz CSLLCPFHTZHVET-UHFFFAOYSA-N 1 0 304.478 3.457 10 30 DGEERO C=CCC[C@H](NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC000627003337 401431969 /nfs/dbraw/zinc/43/19/69/401431969.db2.gz MYUWZHGECQGUEZ-XIRDDKMYSA-N 1 0 301.434 3.134 10 30 DGEERO C=CCC[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1CC)c1ccccc1 ZINC000627002548 401432104 /nfs/dbraw/zinc/43/21/04/401432104.db2.gz BBIWEVACWOJAFE-GVDBMIGSSA-N 1 0 301.434 3.134 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000631638837 401521121 /nfs/dbraw/zinc/52/11/21/401521121.db2.gz ROVBYCKSQQVGHI-BPUTZDHNSA-N 1 0 305.418 3.336 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000623512651 401536531 /nfs/dbraw/zinc/53/65/31/401536531.db2.gz PJZUIQLKKWRVCI-KXBFYZLASA-N 1 0 317.429 3.307 10 30 DGEERO C=C1CC(C)(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000632041912 401573120 /nfs/dbraw/zinc/57/31/20/401573120.db2.gz AMFJCYTZNAGVOW-OAHLLOKOSA-N 1 0 313.445 3.080 10 30 DGEERO C=CC[C@H]1CC[N@@H+](C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406123 401592182 /nfs/dbraw/zinc/59/21/82/401592182.db2.gz CKQITKJUFBGYGE-GJZGRUSLSA-N 1 0 307.459 3.092 10 30 DGEERO C=CCC[C@@H](CC)[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000624102077 401626169 /nfs/dbraw/zinc/62/61/69/401626169.db2.gz JZUAKICYOVBYLM-CQSZACIVSA-N 1 0 305.409 3.278 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000632939062 401640084 /nfs/dbraw/zinc/64/00/84/401640084.db2.gz NLNCVNLCLRSCGD-HIFRSBDPSA-N 1 0 301.434 3.492 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633155136 401654565 /nfs/dbraw/zinc/65/45/65/401654565.db2.gz ZMANGRSWSSWFLM-MRXNPFEDSA-N 1 0 307.482 3.391 10 30 DGEERO Cc1c(C#N)cccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178965362 164849919 /nfs/dbraw/zinc/84/99/19/164849919.db2.gz SNAJYZYHJQXEBB-UHFFFAOYSA-N 1 0 314.433 3.109 10 30 DGEERO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1COc2ccccc21 ZINC000185604354 165010180 /nfs/dbraw/zinc/01/01/80/165010180.db2.gz QEQHYPLNYDLMDJ-DNVCBOLYSA-N 1 0 322.408 3.481 10 30 DGEERO Cc1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1C#N ZINC000192956615 165312925 /nfs/dbraw/zinc/31/29/25/165312925.db2.gz NHJYBJVBIQGDTL-KRWDZBQOSA-N 1 0 306.413 3.196 10 30 DGEERO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195354369 165367660 /nfs/dbraw/zinc/36/76/60/165367660.db2.gz YOOJUQQVEFQISN-OAHLLOKOSA-N 1 0 313.426 3.273 10 30 DGEERO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1C#N ZINC000247184934 165570527 /nfs/dbraw/zinc/57/05/27/165570527.db2.gz YEMGGLOAHZIMND-CGTJXYLNSA-N 1 0 312.413 3.004 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NC/C=C/c2ccccc2)CC1 ZINC000171853760 432179311 /nfs/dbraw/zinc/17/93/11/432179311.db2.gz AEBMCBMDXSPWPC-RMKNXTFCSA-N 1 0 313.445 3.040 10 30 DGEERO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246860360 432174525 /nfs/dbraw/zinc/17/45/25/432174525.db2.gz POJAHZUBKIYHHM-IRXDYDNUSA-N 1 0 305.393 3.190 10 30 DGEERO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1C#N ZINC000247184940 432208772 /nfs/dbraw/zinc/20/87/72/432208772.db2.gz YEMGGLOAHZIMND-KBAYOESNSA-N 1 0 312.413 3.004 10 30 DGEERO C[C@@H]1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC(C)(C)C1 ZINC000184149107 297195463 /nfs/dbraw/zinc/19/54/63/297195463.db2.gz KKNSFWMZMXNZBI-HZPDHXFCSA-N 1 0 307.482 3.143 10 30 DGEERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000183681809 228374816 /nfs/dbraw/zinc/37/48/16/228374816.db2.gz VGVFARIKPORTEI-GDBMZVCRSA-N 1 0 307.401 3.275 10 30 DGEERO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000185795178 228396912 /nfs/dbraw/zinc/39/69/12/228396912.db2.gz CFZSPPCOZQIHGP-OALUTQOASA-N 1 0 321.424 3.069 10 30 DGEERO N#Cc1cc(F)c(N2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000301363990 229648909 /nfs/dbraw/zinc/64/89/09/229648909.db2.gz MZIFJCZSTAPVNE-UHFFFAOYSA-N 1 0 305.372 3.149 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1F ZINC000358574083 270003957 /nfs/dbraw/zinc/00/39/57/270003957.db2.gz ROKRLPDHCZGBDX-DZGCQCFKSA-N 1 0 310.376 3.022 10 30 DGEERO CSC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CCOCC1 ZINC000358587960 270004055 /nfs/dbraw/zinc/00/40/55/270004055.db2.gz LIWAVDQBBOBPQA-LBPRGKRZSA-N 1 0 308.422 3.260 10 30 DGEERO CCN(Cc1ccc(C#N)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184801680 266135264 /nfs/dbraw/zinc/13/52/64/266135264.db2.gz VQTYXLQGDCEVLE-QGZVFWFLSA-N 1 0 309.413 3.248 10 30 DGEERO Cc1ccc(OC2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1 ZINC000182838431 432234731 /nfs/dbraw/zinc/23/47/31/432234731.db2.gz IDHCHBBVXJWMHY-UHFFFAOYSA-N 1 0 307.397 3.305 10 30 DGEERO Cc1cc(C#N)nc(NC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000376185698 267316393 /nfs/dbraw/zinc/31/63/93/267316393.db2.gz FSSXHEOBBWBPFL-UHFFFAOYSA-N 1 0 313.449 3.113 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000349826785 273486819 /nfs/dbraw/zinc/48/68/19/273486819.db2.gz AHOMDEYKFZECRN-NHYWBVRUSA-N 1 0 310.235 3.353 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000424295947 273487818 /nfs/dbraw/zinc/48/78/18/273487818.db2.gz NVFIJWKFDPWART-CVAIRZPRSA-N 1 0 323.440 3.430 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000424290389 275437469 /nfs/dbraw/zinc/43/74/69/275437469.db2.gz BQDRHQGWHTUSNW-QRTARXTBSA-N 1 0 316.401 3.411 10 30 DGEERO CC[NH+](CC)CC1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450255252 276323565 /nfs/dbraw/zinc/32/35/65/276323565.db2.gz YICXHDHJVJSEBQ-UHFFFAOYSA-N 1 0 316.405 3.025 10 30 DGEERO CC[NH+]=C(NCCc1csc(C)n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261790920 278167643 /nfs/dbraw/zinc/16/76/43/278167643.db2.gz QVSSNBAOPJTFCG-GASCZTMLSA-N 1 0 320.506 3.082 10 30 DGEERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000193025317 278975298 /nfs/dbraw/zinc/97/52/98/278975298.db2.gz ZPBQXQOOPFSTNR-WBVHZDCISA-N 1 0 303.450 3.216 10 30 DGEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000328798449 279292144 /nfs/dbraw/zinc/29/21/44/279292144.db2.gz GCZHCDRHZRBOKQ-CYBMUJFWSA-N 1 0 315.417 3.355 10 30 DGEERO CC(C)CSc1nnc([N-][NH+]=Cc2ccc(N(C)C)cc2)[nH]1 ZINC000005908128 431315701 /nfs/dbraw/zinc/31/57/01/431315701.db2.gz XSXUSNHCLRANLK-CXUHLZMHSA-N 1 0 318.450 3.065 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716799 431376962 /nfs/dbraw/zinc/37/69/62/431376962.db2.gz XZJFQRBLFPZRCY-STQMWFEESA-N 1 0 308.372 3.205 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000076737966 431561982 /nfs/dbraw/zinc/56/19/82/431561982.db2.gz RVXHAYJCUXTISR-UHFFFAOYSA-N 1 0 303.431 3.139 10 30 DGEERO COc1cccc([C@@H]2CN(CCCC(C)(C)C#N)CCO2)c1 ZINC000119095577 431644925 /nfs/dbraw/zinc/64/49/25/431644925.db2.gz FTSWJZCTQXLVJO-KRWDZBQOSA-N 1 0 302.418 3.398 10 30 DGEERO C=C[C@H](CC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000119212217 431662422 /nfs/dbraw/zinc/66/24/22/431662422.db2.gz JLODSMFXIKDROA-SJLPKXTDSA-N 1 0 300.446 3.289 10 30 DGEERO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000079481894 431727078 /nfs/dbraw/zinc/72/70/78/431727078.db2.gz KPJCSDQTNOJZIF-KRWDZBQOSA-N 1 0 320.440 3.097 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(C)nc1C)C(C)C ZINC000120088471 431721860 /nfs/dbraw/zinc/72/18/60/431721860.db2.gz ALTHPTAPEYWHKA-SFHVURJKSA-N 1 0 315.461 3.127 10 30 DGEERO Cc1cc[n+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000184552669 280712669 /nfs/dbraw/zinc/71/26/69/280712669.db2.gz PLVGSKJLSIDRAX-OAHLLOKOSA-N 1 0 321.322 3.279 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000122945160 431849451 /nfs/dbraw/zinc/84/94/51/431849451.db2.gz KUACCLIFGFDCPB-AWEZNQCLSA-N 1 0 300.431 3.216 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CCc3ccccc3Cl)n2c1 ZINC000123498035 431866436 /nfs/dbraw/zinc/86/64/36/431866436.db2.gz DETWEYXKHYAEKC-UHFFFAOYSA-N 1 0 310.788 3.192 10 30 DGEERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122321336 431825798 /nfs/dbraw/zinc/82/57/98/431825798.db2.gz WXKBPIBXUYCVPK-HZPDHXFCSA-N 1 0 315.461 3.296 10 30 DGEERO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)N(C)CCC#N ZINC000122330368 431827714 /nfs/dbraw/zinc/82/77/14/431827714.db2.gz FMQFOXCQCJNJTE-GJZGRUSLSA-N 1 0 309.413 3.251 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc2ccccc2c1 ZINC000122330537 431828393 /nfs/dbraw/zinc/82/83/93/431828393.db2.gz FMQFOXCQCJNJTE-CABCVRRESA-N 1 0 309.413 3.251 10 30 DGEERO C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)CCN1C ZINC000093644151 431915774 /nfs/dbraw/zinc/91/57/74/431915774.db2.gz DDVRKJJYBZJMKZ-AEFFLSMTSA-N 1 0 315.461 3.284 10 30 DGEERO N#Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000047969830 431917319 /nfs/dbraw/zinc/91/73/19/431917319.db2.gz PFSIBSZSUQZNJL-UHFFFAOYSA-N 1 0 301.409 3.005 10 30 DGEERO N#Cc1ccc(CNC2(c3ccc(F)cc3F)CCOCC2)o1 ZINC000124770546 431904621 /nfs/dbraw/zinc/90/46/21/431904621.db2.gz XHBLAXIBSIJCID-UHFFFAOYSA-N 1 0 318.323 3.225 10 30 DGEERO CC(C)COC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000054341971 431970746 /nfs/dbraw/zinc/97/07/46/431970746.db2.gz VMNWKHYUKUJHKH-UHFFFAOYSA-N 1 0 302.418 3.074 10 30 DGEERO CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340448 431969915 /nfs/dbraw/zinc/96/99/15/431969915.db2.gz HXKSBTCRYDBXBN-WMLDXEAASA-N 1 0 304.434 3.117 10 30 DGEERO C=CC[N@H+](Cc1cccs1)C[C@H](O)COCc1ccccc1 ZINC000057950454 431994505 /nfs/dbraw/zinc/99/45/05/431994505.db2.gz PPTFDTNRQSRUPL-KRWDZBQOSA-N 1 0 317.454 3.314 10 30 DGEERO C(#Cc1ccccc1)C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000248911640 432328837 /nfs/dbraw/zinc/32/88/37/432328837.db2.gz YDOTZKIUXLOLKY-ROUUACIJSA-N 1 0 301.455 3.025 10 30 DGEERO CC(C)n1cnnc1[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000192118656 432333137 /nfs/dbraw/zinc/33/31/37/432333137.db2.gz SUASVBUVCPQVIX-SFHVURJKSA-N 1 0 308.429 3.090 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC1(C#N)CCCCC1 ZINC000192680474 432399953 /nfs/dbraw/zinc/39/99/53/432399953.db2.gz HKRGENDFNRLEEE-QWHCGFSZSA-N 1 0 305.447 3.130 10 30 DGEERO CC(C)C[C@@H](CO)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185341408 432492090 /nfs/dbraw/zinc/49/20/90/432492090.db2.gz DKVDCGJVBGKFMS-INIZCTEOSA-N 1 0 313.363 3.396 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186213650 432569799 /nfs/dbraw/zinc/56/97/99/432569799.db2.gz YBMUUJSNDIHYHJ-MRXNPFEDSA-N 1 0 310.441 3.123 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000186703756 432624316 /nfs/dbraw/zinc/62/43/16/432624316.db2.gz CENQUQXTHZCYQN-WDEREUQCSA-N 1 0 314.223 3.045 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186700502 432624612 /nfs/dbraw/zinc/62/46/12/432624612.db2.gz NUCGRGQYFCYPSJ-GDBMZVCRSA-N 1 0 306.425 3.404 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187545089 432668652 /nfs/dbraw/zinc/66/86/52/432668652.db2.gz YUAFKSRXAZVGTR-ZYHUDNBSSA-N 1 0 314.223 3.051 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187545070 432668933 /nfs/dbraw/zinc/66/89/33/432668933.db2.gz YUAFKSRXAZVGTR-JQWIXIFHSA-N 1 0 314.223 3.051 10 30 DGEERO COc1ccc(C#N)cc1C[N@H+](CCc1nccs1)C(C)C ZINC000159819932 432696891 /nfs/dbraw/zinc/69/68/91/432696891.db2.gz IAIBLEWFUDEHNR-UHFFFAOYSA-N 1 0 315.442 3.476 10 30 DGEERO C=CCSc1ccccc1NC(=O)CN(C)C[C@@H]1CCCO1 ZINC000187814940 432686694 /nfs/dbraw/zinc/68/66/94/432686694.db2.gz ZRKFMZGUCMCOJC-AWEZNQCLSA-N 1 0 320.458 3.014 10 30 DGEERO C=CCC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000178453273 432738227 /nfs/dbraw/zinc/73/82/27/432738227.db2.gz BKUCQKVIEQWKBM-MSOLQXFVSA-N 1 0 313.445 3.184 10 30 DGEERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000267265391 432827555 /nfs/dbraw/zinc/82/75/55/432827555.db2.gz LDPSZFNYVUXFAX-KXBFYZLASA-N 1 0 309.413 3.151 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CC)c(F)c2)CC1 ZINC000178968972 432791607 /nfs/dbraw/zinc/79/16/07/432791607.db2.gz VXIPVEZDYSXTAY-UHFFFAOYSA-N 1 0 305.397 3.160 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)ccc1OC ZINC000277631948 432865794 /nfs/dbraw/zinc/86/57/94/432865794.db2.gz CHVZWNHEPZQSJJ-GDBMZVCRSA-N 1 0 305.418 3.165 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245964272 432873354 /nfs/dbraw/zinc/87/33/54/432873354.db2.gz YTVLKRUHTLAOGL-BBWFWOEESA-N 1 0 307.482 3.388 10 30 DGEERO CC(C)(C)c1nnsc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330079740 432892622 /nfs/dbraw/zinc/89/26/22/432892622.db2.gz GELCIVSQPOSDAS-UHFFFAOYSA-N 1 0 322.478 3.157 10 30 DGEERO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2C)[NH+](C)C)cc1 ZINC000163375498 432850989 /nfs/dbraw/zinc/85/09/89/432850989.db2.gz BGSQYFNURFLWNQ-IBGZPJMESA-N 1 0 321.424 3.208 10 30 DGEERO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000330223170 432898544 /nfs/dbraw/zinc/89/85/44/432898544.db2.gz MYLCSPKGVVIWEJ-YSVLISHTSA-N 1 0 302.418 3.437 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000330246217 432899595 /nfs/dbraw/zinc/89/95/95/432899595.db2.gz YCGCJZLBJAPAEZ-UVBJJODRSA-N 1 0 306.381 3.268 10 30 DGEERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330300484 432902919 /nfs/dbraw/zinc/90/29/19/432902919.db2.gz NFIQCYYYZXJDPN-UAGQMJEPSA-N 1 0 308.466 3.291 10 30 DGEERO C#CCOc1ccc([C@@H](C)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000373523296 433154433 /nfs/dbraw/zinc/15/44/33/433154433.db2.gz OYTNOKSXBWPEEH-IPJUCJBFSA-N 1 0 312.457 3.366 10 30 DGEERO C=CCC1(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)CCCC1 ZINC000453341560 433104814 /nfs/dbraw/zinc/10/48/14/433104814.db2.gz BYUBBDFEMRRBBP-AWEZNQCLSA-N 1 0 322.474 3.121 10 30 DGEERO N#CC1CCC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000374204623 433178594 /nfs/dbraw/zinc/17/85/94/433178594.db2.gz KLSOAONEJRRASF-OFLPRAFFSA-N 1 0 317.477 3.087 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000425601701 433318413 /nfs/dbraw/zinc/31/84/13/433318413.db2.gz GUWDNWAQJICMMA-DOTOQJQBSA-N 1 0 300.446 3.498 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000375470972 433469915 /nfs/dbraw/zinc/46/99/15/433469915.db2.gz RLMKUAIXBSFTAX-QXAKKESOSA-N 1 0 306.494 3.212 10 30 DGEERO C=CCc1cc(C[NH2+][C@H]2CCO[C@@H](CC)C2)cc(OC)c1O ZINC000421395156 433542582 /nfs/dbraw/zinc/54/25/82/433542582.db2.gz YHVOLSACMXSHLM-HOTGVXAUSA-N 1 0 305.418 3.177 10 30 DGEERO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C ZINC000283190687 433686674 /nfs/dbraw/zinc/68/66/74/433686674.db2.gz KNSWNXILUVXMMU-ZIAGYGMSSA-N 1 0 317.433 3.464 10 30 DGEERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)c1cccc(C#N)n1 ZINC000301871657 433770154 /nfs/dbraw/zinc/77/01/54/433770154.db2.gz WWLPKWCOJNLTNV-LPHOPBHVSA-N 1 0 320.440 3.300 10 30 DGEERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301990104 433807772 /nfs/dbraw/zinc/80/77/72/433807772.db2.gz FKFOVPQTDKPQSG-AWEZNQCLSA-N 1 0 324.384 3.399 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000343503824 433811847 /nfs/dbraw/zinc/81/18/47/433811847.db2.gz LUCNWHQLBMDUMY-BXUZGUMPSA-N 1 0 300.324 3.004 10 30 DGEERO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000449934144 433879337 /nfs/dbraw/zinc/87/93/37/433879337.db2.gz HTFGHAYTANVPFS-ZFWWWQNUSA-N 1 0 306.475 3.459 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1Cl ZINC000377787647 433995771 /nfs/dbraw/zinc/99/57/71/433995771.db2.gz WBOVSXDNEMSDJZ-ZDUSSCGKSA-N 1 0 317.820 3.275 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352856407 434059502 /nfs/dbraw/zinc/05/95/02/434059502.db2.gz WNABTWAZVICPJS-UHFFFAOYSA-N 1 0 323.362 3.317 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000286001767 434132850 /nfs/dbraw/zinc/13/28/50/434132850.db2.gz OWVDXDUXGSZBRA-VHSXEESVSA-N 1 0 304.253 3.407 10 30 DGEERO C=CCOc1cccc(C[N@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)c1 ZINC000366246377 434371486 /nfs/dbraw/zinc/37/14/86/434371486.db2.gz DTZWFHIFLXGJSU-MJGOQNOKSA-N 1 0 317.429 3.021 10 30 DGEERO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1F ZINC000358558690 434395304 /nfs/dbraw/zinc/39/53/04/434395304.db2.gz CYXXLKWFSOUPSM-CYBMUJFWSA-N 1 0 301.409 3.222 10 30 DGEERO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358567099 434397857 /nfs/dbraw/zinc/39/78/57/434397857.db2.gz JFCNZTRDDVYUKH-QWHCGFSZSA-N 1 0 300.381 3.189 10 30 DGEERO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(C#N)cc1F ZINC000358571133 434398115 /nfs/dbraw/zinc/39/81/15/434398115.db2.gz OCLUVOYHOHKZMN-CYBMUJFWSA-N 1 0 312.392 3.123 10 30 DGEERO C[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404177362 434506307 /nfs/dbraw/zinc/50/63/07/434506307.db2.gz ZNPRMVVCFCBAET-HNNXBMFYSA-N 1 0 311.404 3.307 10 30 DGEERO C=CCOc1ccccc1C(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000423955849 434588465 /nfs/dbraw/zinc/58/84/65/434588465.db2.gz CLXVSCGIXYNYQP-GOSISDBHSA-N 1 0 324.424 3.244 10 30 DGEERO C=C(C)CN(CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000371062174 434638499 /nfs/dbraw/zinc/63/84/99/434638499.db2.gz AUNNQHAZQYTWRP-DLBZAZTESA-N 1 0 319.424 3.179 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000424179334 434646660 /nfs/dbraw/zinc/64/66/60/434646660.db2.gz YEUJGZTWUANKTO-HOTGVXAUSA-N 1 0 305.418 3.163 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000424179885 434647410 /nfs/dbraw/zinc/64/74/10/434647410.db2.gz ZJNJNDJZDSFLLE-FZMZJTMJSA-N 1 0 314.198 3.269 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1CC ZINC000424296461 434682971 /nfs/dbraw/zinc/68/29/71/434682971.db2.gz OPPJLZWVMPVOHM-ZVZYQTTQSA-N 1 0 316.445 3.147 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000424295594 434683734 /nfs/dbraw/zinc/68/37/34/434683734.db2.gz NDVOWEAUBCSRDZ-YCPHGPKFSA-N 1 0 305.418 3.254 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000424301306 434684807 /nfs/dbraw/zinc/68/48/07/434684807.db2.gz ZRXSUOVQENHFDP-ULQDDVLXSA-N 1 0 303.402 3.105 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@@H](CC(=O)NC)c2ccccc2)c1 ZINC000360769202 434688106 /nfs/dbraw/zinc/68/81/06/434688106.db2.gz AECBPXRTRAERNA-IBGZPJMESA-N 1 0 324.424 3.218 10 30 DGEERO C#CCCOc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1 ZINC000371862119 434762731 /nfs/dbraw/zinc/76/27/31/434762731.db2.gz AYPXUGAXNLEQGU-KRWDZBQOSA-N 1 0 313.441 3.480 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372465363 434831116 /nfs/dbraw/zinc/83/11/16/434831116.db2.gz PYKYSDUMMDWUSB-ZIAGYGMSSA-N 1 0 303.450 3.499 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000523583133 434954640 /nfs/dbraw/zinc/95/46/40/434954640.db2.gz WDNAWCIIHBACNF-MRXNPFEDSA-N 1 0 318.848 3.330 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527903490 435017020 /nfs/dbraw/zinc/01/70/20/435017020.db2.gz IMAVRAGPEKAIGM-OGWOLHLISA-N 1 0 311.429 3.471 10 30 DGEERO C=CC1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000528148387 435020500 /nfs/dbraw/zinc/02/05/00/435020500.db2.gz HNEWFHACICSXNJ-KRWDZBQOSA-N 1 0 305.466 3.001 10 30 DGEERO C=CCCCCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000575762264 435051160 /nfs/dbraw/zinc/05/11/60/435051160.db2.gz NMYOLALMWPCVRQ-UHFFFAOYSA-N 1 0 305.397 3.339 10 30 DGEERO C=CCNC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000471374318 435136802 /nfs/dbraw/zinc/13/68/02/435136802.db2.gz LQTRQHGQPNXJCT-NVXWUHKLSA-N 1 0 301.434 3.039 10 30 DGEERO C=CCCCCC[N@@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000533288874 435224451 /nfs/dbraw/zinc/22/44/51/435224451.db2.gz FQPHVKHJPAMRLA-UHFFFAOYSA-N 1 0 307.463 3.249 10 30 DGEERO C=CCOc1ccccc1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000564718822 435274099 /nfs/dbraw/zinc/27/40/99/435274099.db2.gz PHNRBHZZDLXXCP-IBGZPJMESA-N 1 0 311.425 3.287 10 30 DGEERO C=CCCCCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000569184171 435510586 /nfs/dbraw/zinc/51/05/86/435510586.db2.gz JDAWJKJSBRVHKA-CQSZACIVSA-N 1 0 310.463 3.455 10 30 DGEERO C=C(C)COCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000539060539 435535633 /nfs/dbraw/zinc/53/56/33/435535633.db2.gz UBGVBGKIFMHMBK-PKOBYXMFSA-N 1 0 302.462 3.079 10 30 DGEERO C=CC[C@@H](CO)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000540395897 435599682 /nfs/dbraw/zinc/59/96/82/435599682.db2.gz CBDQKBZLLBKRRC-JKSUJKDBSA-N 1 0 318.461 3.301 10 30 DGEERO C[C@H]1C[C@H](CCNc2ccncc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000548162449 435675483 /nfs/dbraw/zinc/67/54/83/435675483.db2.gz DUNRVGSTELGRNS-WMZOPIPTSA-N 1 0 320.440 3.088 10 30 DGEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccncc2C#N)cc1 ZINC000548481989 435696657 /nfs/dbraw/zinc/69/66/57/435696657.db2.gz JMNXHRFHTZLHTH-MRXNPFEDSA-N 1 0 320.440 3.362 10 30 DGEERO Cc1cccc(C)c1CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000132705364 312648955 /nfs/dbraw/zinc/64/89/55/312648955.db2.gz YLSVEIKHNFGXCJ-UHFFFAOYSA-N 1 0 304.397 3.155 10 30 DGEERO C[C@H]([NH2+]C1(CNc2ccncc2C#N)CCCC1)c1ccccc1 ZINC000547824848 314399439 /nfs/dbraw/zinc/39/94/39/314399439.db2.gz AFMMCEBDOSFICS-INIZCTEOSA-N 1 0 320.440 3.451 10 30 DGEERO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ccncc2C#N)C1 ZINC000547826623 314399566 /nfs/dbraw/zinc/39/95/66/314399566.db2.gz PRXCASQUAXKETH-INIZCTEOSA-N 1 0 320.440 3.219 10 30 DGEERO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000551425894 314561555 /nfs/dbraw/zinc/56/15/55/314561555.db2.gz PIILUJIVKWNDSR-DNVCBOLYSA-N 1 0 322.408 3.068 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000072670323 331669614 /nfs/dbraw/zinc/66/96/14/331669614.db2.gz XRPSFECQAJXZFL-INIZCTEOSA-N 1 0 300.402 3.237 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000186708549 332943396 /nfs/dbraw/zinc/94/33/96/332943396.db2.gz GLCFWWPUELWUFD-TVQRCGJNSA-N 1 0 314.198 3.102 10 30 DGEERO CC[NH+]1CCN(c2ccccc2N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185732745 333212918 /nfs/dbraw/zinc/21/29/18/333212918.db2.gz IMSXDYPJGHFJCP-SJORKVTESA-N 1 0 312.461 3.323 10 30 DGEERO C=CCCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000388467821 333312507 /nfs/dbraw/zinc/31/25/07/333312507.db2.gz CEWBJSRWDCHOTA-LLVKDONJSA-N 1 0 304.217 3.289 10 30 DGEERO C=CCCCCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516488828 338012671 /nfs/dbraw/zinc/01/26/71/338012671.db2.gz MMOWKALPMVTVQM-UHFFFAOYSA-N 1 0 307.482 3.393 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000505011523 340158754 /nfs/dbraw/zinc/15/87/54/340158754.db2.gz WRVAXYAGBTXXPS-UHFFFAOYSA-N 1 0 301.434 3.363 10 30 DGEERO C=CCCc1ccccc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000505044840 340159893 /nfs/dbraw/zinc/15/98/93/340159893.db2.gz FHNLAZTTXJVDLL-UHFFFAOYSA-N 1 0 301.434 3.269 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000521600880 340525947 /nfs/dbraw/zinc/52/59/47/340525947.db2.gz OWPRBSXOWWTWTB-BPQIPLTHSA-N 1 0 321.509 3.397 10 30 DGEERO C=CCOc1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530179133 340782038 /nfs/dbraw/zinc/78/20/38/340782038.db2.gz PXXGZNBCOAZTHG-MRXNPFEDSA-N 1 0 306.837 3.279 10 30 DGEERO C=CCNC(=O)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000539682066 340895738 /nfs/dbraw/zinc/89/57/38/340895738.db2.gz ZLZFBDWPOBQZCM-GOSISDBHSA-N 1 0 300.446 3.070 10 30 DGEERO C=CCN(CCc1ccccc1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000543715740 341055027 /nfs/dbraw/zinc/05/50/27/341055027.db2.gz AOFXGAFNTDPQJY-UHFFFAOYSA-N 1 0 323.440 3.165 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000544180246 341073142 /nfs/dbraw/zinc/07/31/42/341073142.db2.gz DJBNFICFIGYWBO-IBGZPJMESA-N 1 0 311.425 3.335 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000545272420 341118398 /nfs/dbraw/zinc/11/83/98/341118398.db2.gz HAILSMWVONNSQQ-PBHICJAKSA-N 1 0 304.434 3.054 10 30 DGEERO C=CCN(Cc1ccccc1)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000079253759 341255922 /nfs/dbraw/zinc/25/59/22/341255922.db2.gz NMJHAKIJENUARH-INIZCTEOSA-N 1 0 303.450 3.115 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCC(C(C)(C)C)CC2)CC1 ZINC000172185694 341794418 /nfs/dbraw/zinc/79/44/18/341794418.db2.gz UMIJQHAURJRSRF-UHFFFAOYSA-N 1 0 307.482 3.105 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449237382 534316896 /nfs/dbraw/zinc/31/68/96/534316896.db2.gz NUOKNPADYOWMAI-QWRGUYRKSA-N 1 0 304.217 3.287 10 30 DGEERO C=CCOC[C@@H](O)C[N@@H+](CCC(C)C)Cc1ccc(C)s1 ZINC000036101679 518984401 /nfs/dbraw/zinc/98/44/01/518984401.db2.gz KEMSAFJAHRKQCP-INIZCTEOSA-N 1 0 311.491 3.468 10 30 DGEERO C=C(CC)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000455516943 534409431 /nfs/dbraw/zinc/40/94/31/534409431.db2.gz DELGSHYXKGQBQY-GDBMZVCRSA-N 1 0 321.490 3.396 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000459054257 534598242 /nfs/dbraw/zinc/59/82/42/534598242.db2.gz SPJKFRCWGMWKFZ-HZPDHXFCSA-N 1 0 307.482 3.247 10 30 DGEERO C=C[C@H](C)[NH2+]Cc1cc(Br)c(O)c(OCC)c1 ZINC000459443427 534666434 /nfs/dbraw/zinc/66/64/34/534666434.db2.gz NHRLHOJUGBECRD-VIFPVBQESA-N 1 0 300.196 3.218 10 30 DGEERO C=CCCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000489422749 534714397 /nfs/dbraw/zinc/71/43/97/534714397.db2.gz MYYUMYUNYYMUFH-HNNXBMFYSA-N 1 0 310.800 3.482 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433021310 526526011 /nfs/dbraw/zinc/52/60/11/526526011.db2.gz QLPAENNQUMQFOW-SFHVURJKSA-N 1 0 313.445 3.436 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(C(C)C)cs2)CC1 ZINC000171548147 526595386 /nfs/dbraw/zinc/59/53/86/526595386.db2.gz INJPUDTVPVFXDM-UHFFFAOYSA-N 1 0 322.478 3.429 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000412584153 526714919 /nfs/dbraw/zinc/71/49/19/526714919.db2.gz WTSIGWBFXSORBH-AWEZNQCLSA-N 1 0 320.433 3.176 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000184989801 526715085 /nfs/dbraw/zinc/71/50/85/526715085.db2.gz FASULZVWMSSTFU-INIZCTEOSA-N 1 0 315.461 3.288 10 30 DGEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000435736574 526849370 /nfs/dbraw/zinc/84/93/70/526849370.db2.gz XZZIQJIAQVZFSA-PKOBYXMFSA-N 1 0 311.429 3.002 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cc1 ZINC000354564430 526867107 /nfs/dbraw/zinc/86/71/07/526867107.db2.gz KNTDELJDCNRZJE-LJQANCHMSA-N 1 0 303.446 3.482 10 30 DGEERO C=C(C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1 ZINC000341054558 526882146 /nfs/dbraw/zinc/88/21/46/526882146.db2.gz UMVNHRSZODKXQF-UHFFFAOYSA-N 1 0 310.422 3.403 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1OC ZINC000349658248 526889277 /nfs/dbraw/zinc/88/92/77/526889277.db2.gz YSCCLTGOTCNEQA-HNNXBMFYSA-N 1 0 319.426 3.145 10 30 DGEERO C=CCSCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000358024772 527004657 /nfs/dbraw/zinc/00/46/57/527004657.db2.gz MTQJNXYRLBXWOQ-LBPRGKRZSA-N 1 0 322.865 3.491 10 30 DGEERO C=CCSCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000180457454 527005443 /nfs/dbraw/zinc/00/54/43/527005443.db2.gz ITBRDMHKQXLFNS-LBPRGKRZSA-N 1 0 308.447 3.223 10 30 DGEERO C=CCCC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262734811 527068618 /nfs/dbraw/zinc/06/86/18/527068618.db2.gz BOTWEXCPAIKFNF-OAHLLOKOSA-N 1 0 304.459 3.185 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1Cl ZINC000184267706 527101003 /nfs/dbraw/zinc/10/10/03/527101003.db2.gz HVLZTQIPRGFMMP-NSHDSACASA-N 1 0 304.615 3.129 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000186689962 527101992 /nfs/dbraw/zinc/10/19/92/527101992.db2.gz JUTWJDGJFSQFFA-CABCVRRESA-N 1 0 304.434 3.054 10 30 DGEERO C=CCCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000346892950 527189406 /nfs/dbraw/zinc/18/94/06/527189406.db2.gz KLDASZQMYWWNDX-KRWDZBQOSA-N 1 0 318.436 3.462 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000346971672 527193041 /nfs/dbraw/zinc/19/30/41/527193041.db2.gz UWAKZJQKBFHSAZ-UHFFFAOYSA-N 1 0 316.445 3.084 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000339002893 527193715 /nfs/dbraw/zinc/19/37/15/527193715.db2.gz NHBLCSMKDAFUPL-RHSMWYFYSA-N 1 0 304.409 3.386 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1Br ZINC000184265151 527209527 /nfs/dbraw/zinc/20/95/27/527209527.db2.gz FZCUWMISETZEEH-LLVKDONJSA-N 1 0 304.615 3.129 10 30 DGEERO C=CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccoc1C ZINC000358864410 527341689 /nfs/dbraw/zinc/34/16/89/527341689.db2.gz URKGVQIQZDXSNE-NSHDSACASA-N 1 0 306.435 3.075 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000424175546 527497845 /nfs/dbraw/zinc/49/78/45/527497845.db2.gz VBQPVVSSATXCPQ-FZMZJTMJSA-N 1 0 301.308 3.092 10 30 DGEERO Cc1nc(C)c([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)s1 ZINC000181155317 546154446 /nfs/dbraw/zinc/15/44/46/546154446.db2.gz YGLHGXIMEVNPLS-LLVKDONJSA-N 1 0 301.415 3.361 10 30 DGEERO O=C(Nc1cncnc1)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000329798388 546492793 /nfs/dbraw/zinc/49/27/93/546492793.db2.gz GKNATOLMPMNIBD-APWZRJJASA-N 1 0 322.412 3.367 10 30 DGEERO CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779158 574641602 /nfs/dbraw/zinc/64/16/02/574641602.db2.gz QOBJQAIMLDTONM-HZPDHXFCSA-N 1 0 306.450 3.121 10 30 DGEERO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000734364889 574657928 /nfs/dbraw/zinc/65/79/28/574657928.db2.gz JSPCHNZPNOPEOP-AWEZNQCLSA-N 1 0 309.417 3.095 10 30 DGEERO C=CCCOCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734298957 574655279 /nfs/dbraw/zinc/65/52/79/574655279.db2.gz NBKOKGXKEVLLHG-GOSISDBHSA-N 1 0 317.429 3.035 10 30 DGEERO [NH2+]=C(NCc1ccn(C2CCCC2)n1)Nc1ccc2c(c1)CCC2 ZINC000119590569 621699537 /nfs/dbraw/zinc/69/95/37/621699537.db2.gz YRSXVTJJTSBNDO-UHFFFAOYSA-N 1 0 323.444 3.414 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000121093355 622129539 /nfs/dbraw/zinc/12/95/39/622129539.db2.gz WUDABCQRSOIDOW-HNNXBMFYSA-N 1 0 320.396 3.122 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CSc2ccccc21 ZINC000121669797 622170934 /nfs/dbraw/zinc/17/09/34/622170934.db2.gz ZSXLIWQMEZREMC-ZBFHGGJFSA-N 1 0 317.454 3.153 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc2ccccc2n1 ZINC000121679349 622171766 /nfs/dbraw/zinc/17/17/66/622171766.db2.gz WAHOGLRGEXRJPS-HNNXBMFYSA-N 1 0 310.397 3.125 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1csc(C(C)C)n1 ZINC000121717202 622174678 /nfs/dbraw/zinc/17/46/78/622174678.db2.gz KKJXKULTMQCLTC-ZDUSSCGKSA-N 1 0 308.447 3.157 10 30 DGEERO C#CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C1CCCC1 ZINC000123431497 622531365 /nfs/dbraw/zinc/53/13/65/622531365.db2.gz BIWUVVVIUMLRBH-UHFFFAOYSA-N 1 0 307.482 3.083 10 30 DGEERO C[N@H+](CCCOC(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000129480153 625646699 /nfs/dbraw/zinc/64/66/99/625646699.db2.gz IYSHKTZWCOWIEI-UHFFFAOYSA-N 1 0 308.381 3.237 10 30 DGEERO CCCCCCCCc1nnc(NC(=O)C[C@H]2CC[NH2+]C2)s1 ZINC000127720973 624539419 /nfs/dbraw/zinc/53/94/19/624539419.db2.gz KZONSQQYGSGUBR-CYBMUJFWSA-N 1 0 324.494 3.379 10 30 DGEERO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)[C@H]2C)o1 ZINC000886082500 627100437 /nfs/dbraw/zinc/10/04/37/627100437.db2.gz HTGMSIFYAXIECA-NHYWBVRUSA-N 1 0 314.364 3.157 10 30 DGEERO CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000218106977 627104328 /nfs/dbraw/zinc/10/43/28/627104328.db2.gz XKAIXGRMLLZZIF-VXGQWTEUSA-N 1 0 307.438 3.104 10 30 DGEERO CC[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H]1C[C@@H]1C ZINC000081721107 660195733 /nfs/dbraw/zinc/19/57/33/660195733.db2.gz UVJGFIVWMCTPBW-YWPUVAFDSA-N 1 0 305.388 3.319 10 30 DGEERO CCc1nc(CNC(N[C@@H](C)c2ccccc2C)=[NH+]C)cs1 ZINC000085767351 660450451 /nfs/dbraw/zinc/45/04/51/660450451.db2.gz ABMSXISGUGZXSR-ZDUSSCGKSA-N 1 0 316.474 3.440 10 30 DGEERO C=C(C)C[N@H+](Cc1ccc(CO)o1)C1CC(OC(C)(C)C)C1 ZINC000450985076 660470280 /nfs/dbraw/zinc/47/02/80/660470280.db2.gz ZQBBBNIXNNNIGF-UHFFFAOYSA-N 1 0 307.434 3.496 10 30 DGEERO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000702235451 660716945 /nfs/dbraw/zinc/71/69/45/660716945.db2.gz AECQCYOHFFLOFB-ZNMIVQPWSA-N 1 0 308.466 3.269 10 30 DGEERO C#C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000702235841 660717081 /nfs/dbraw/zinc/71/70/81/660717081.db2.gz FFEIEMOIWVXSRW-HUUCEWRRSA-N 1 0 308.466 3.271 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000262366321 655837429 /nfs/dbraw/zinc/83/74/29/655837429.db2.gz LGMDACTVESRTCY-AWEZNQCLSA-N 1 0 321.490 3.077 10 30 DGEERO C[NH+]=C(NCc1ccco1)NCc1cccc(-c2ccccn2)c1 ZINC000178531355 656080230 /nfs/dbraw/zinc/08/02/30/656080230.db2.gz HKLZSFIBGFPXEG-UHFFFAOYSA-N 1 0 320.396 3.207 10 30 DGEERO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181796331 656100797 /nfs/dbraw/zinc/10/07/97/656100797.db2.gz MPNOHTJJRMLEIB-MAUKXSAKSA-N 1 0 304.434 3.427 10 30 DGEERO C=C(Br)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309921142 656104472 /nfs/dbraw/zinc/10/44/72/656104472.db2.gz QVRMZPWRBDDSEJ-HNNXBMFYSA-N 1 0 309.251 3.101 10 30 DGEERO C#CC[C@H](COC)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000716967027 661236503 /nfs/dbraw/zinc/23/65/03/661236503.db2.gz ZQIZLBZJHUJMOF-OGVSOVDVSA-N 1 0 322.246 3.323 10 30 DGEERO C#CCCOc1ccc(C[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000236754764 656361015 /nfs/dbraw/zinc/36/10/15/656361015.db2.gz HDSXIBGECMEXJG-SFHVURJKSA-N 1 0 302.462 3.155 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](SC)c1ccccc1 ZINC000178457417 656363617 /nfs/dbraw/zinc/36/36/17/656363617.db2.gz YUUPSAHOTKYEOI-NVXWUHKLSA-N 1 0 319.470 3.368 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CCCC(F)(F)C1 ZINC000261816424 657112726 /nfs/dbraw/zinc/11/27/26/657112726.db2.gz NBEOZPNMUVGHIP-NSHDSACASA-N 1 0 301.406 3.020 10 30 DGEERO CC[NH+]=C(NCC1(C2CC2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000261868110 657148258 /nfs/dbraw/zinc/14/82/58/657148258.db2.gz NUKMSFNJGRRGJK-MRXNPFEDSA-N 1 0 313.445 3.256 10 30 DGEERO [NH2+]=C(NCc1csc(Br)c1)NC1CCCCC1 ZINC000262011855 657289693 /nfs/dbraw/zinc/28/96/93/657289693.db2.gz UJRSBEVPMXFVRR-UHFFFAOYSA-N 1 0 316.268 3.248 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000303773908 657560764 /nfs/dbraw/zinc/56/07/64/657560764.db2.gz FPBJPTGBDXMXFL-UHFFFAOYSA-N 1 0 322.412 3.049 10 30 DGEERO CCc1ccc(NC(=[NH2+])NCc2cnn(-c3ccccc3)c2)cc1 ZINC000303778894 657561973 /nfs/dbraw/zinc/56/19/73/657561973.db2.gz KBFVMFOTEQEMDW-UHFFFAOYSA-N 1 0 319.412 3.362 10 30 DGEERO CC(C)(C)OC(=O)CCCCCNC(=[NH2+])NC1CCCCC1 ZINC000304598302 657638856 /nfs/dbraw/zinc/63/88/56/657638856.db2.gz HCMSAJFYSKEFTB-UHFFFAOYSA-N 1 0 311.470 3.126 10 30 DGEERO [NH2+]=C(NCc1ccccc1OC1CCC1)NC1CCCCC1 ZINC000304595753 657639524 /nfs/dbraw/zinc/63/95/24/657639524.db2.gz GTYKUSZZMZKROY-UHFFFAOYSA-N 1 0 301.434 3.355 10 30 DGEERO COc1ccc(NC(=[NH2+])NC/C=C/c2ccccc2)cc1OC ZINC000304743491 657645499 /nfs/dbraw/zinc/64/54/99/657645499.db2.gz DCVQSXJFERHLLD-RMKNXTFCSA-N 1 0 311.385 3.144 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](C[C@H](C)O)c2ccccc2)c1 ZINC000305001458 657664488 /nfs/dbraw/zinc/66/44/88/657664488.db2.gz BFZTVVWZQRQUBT-DOTOQJQBSA-N 1 0 311.429 3.276 10 30 DGEERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000253354691 657676136 /nfs/dbraw/zinc/67/61/36/657676136.db2.gz HXZUSLHBYYZWLT-FPCVCCKLSA-N 1 0 321.465 3.304 10 30 DGEERO [NH2+]=C(NCCc1ccccc1)NCc1cccc(C(F)(F)F)c1 ZINC000303691168 657691487 /nfs/dbraw/zinc/69/14/87/657691487.db2.gz AKMJGMAYOVZMPG-UHFFFAOYSA-N 1 0 321.346 3.352 10 30 DGEERO Cc1cccc2[nH]c(CNC(=[NH2+])N[C@H](C)CCCC(C)C)nc21 ZINC000305738390 657993288 /nfs/dbraw/zinc/99/32/88/657993288.db2.gz YXTUOPLIAXPSJC-CQSZACIVSA-N 1 0 315.465 3.490 10 30 DGEERO N#Cc1cccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c1 ZINC000098172864 657995080 /nfs/dbraw/zinc/99/50/80/657995080.db2.gz BIAPIOKCHMMVNY-UHFFFAOYSA-N 1 0 319.408 3.365 10 30 DGEERO C[C@H]1CCCN(C(=[NH2+])N[C@H]2C[C@@H]2c2ccccc2OC(F)F)C1 ZINC000262842381 658048052 /nfs/dbraw/zinc/04/80/52/658048052.db2.gz UVEDSYGSIPLFGS-YUTCNCBUSA-N 1 0 323.387 3.191 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)N(C)C)c1 ZINC000262320960 658408449 /nfs/dbraw/zinc/40/84/49/658408449.db2.gz QJQHBKBSMHLKPT-AWEZNQCLSA-N 1 0 302.447 3.086 10 30 DGEERO C#CCC[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227833653 659165091 /nfs/dbraw/zinc/16/50/91/659165091.db2.gz QZJSBVKTXKQBTI-UHFFFAOYSA-N 1 0 323.053 3.386 10 30 DGEERO C=CCSCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000231942357 659406481 /nfs/dbraw/zinc/40/64/81/659406481.db2.gz OOZHAKZSZYACBV-ZDUSSCGKSA-N 1 0 305.365 3.248 10 30 DGEERO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000189547670 661981479 /nfs/dbraw/zinc/98/14/79/661981479.db2.gz GXGDLABQEQYHGU-KBPBESRZSA-N 1 0 311.385 3.232 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]1C ZINC000385053731 685173060 /nfs/dbraw/zinc/17/30/60/685173060.db2.gz DDRVJWDGCOTMQD-BXUZGUMPSA-N 1 0 308.219 3.349 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCCN2CC)cc1OC ZINC000236822047 1176490542 /nfs/dbraw/zinc/49/05/42/1176490542.db2.gz UJIZJPAMPGLOQQ-QGZVFWFLSA-N 1 0 318.461 3.224 10 30 DGEERO N#Cc1cc(N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)ncn1 ZINC000709623316 1176811660 /nfs/dbraw/zinc/81/16/60/1176811660.db2.gz OPPXZGAFVAYOJG-KRWDZBQOSA-N 1 0 321.428 3.205 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+]C1CCCC1 ZINC000041635102 1194144955 /nfs/dbraw/zinc/14/49/55/1194144955.db2.gz HOFPSYZYFGPPIO-UHFFFAOYSA-N 1 0 308.219 3.493 10 30 DGEERO N#Cc1ccc(Br)cc1NCC[NH+]1CCCCC1 ZINC000123182063 1199369117 /nfs/dbraw/zinc/36/91/17/1199369117.db2.gz DQTLBZZZMJTMDU-UHFFFAOYSA-N 1 0 308.223 3.219 10 30 DGEERO C=CCSCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401712646 1199416207 /nfs/dbraw/zinc/41/62/07/1199416207.db2.gz FMHDQFSNRRDPDH-UONOGXRCSA-N 1 0 314.495 3.141 10 30 DGEERO C=CCSCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404778573 1199583894 /nfs/dbraw/zinc/58/38/94/1199583894.db2.gz BHEYLSFLPMDAFR-QWHCGFSZSA-N 1 0 314.495 3.187 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1OC ZINC000120456556 1200148896 /nfs/dbraw/zinc/14/88/96/1200148896.db2.gz YIODKVQZSQLXEF-UHFFFAOYSA-N 1 0 317.360 3.395 10 30 DGEERO CC[C@H](C)[N@H+](C)CCNc1cc(Br)ccc1C#N ZINC000218082472 1202547047 /nfs/dbraw/zinc/54/70/47/1202547047.db2.gz KNBYQUDIXGKIMN-NSHDSACASA-N 1 0 310.239 3.463 10 30 DGEERO CC[NH+](CC)CCNc1ccc(C#N)c(Br)c1F ZINC000231843163 1202600197 /nfs/dbraw/zinc/60/01/97/1202600197.db2.gz JHLHWDWPDZLKBR-UHFFFAOYSA-N 1 0 314.202 3.214 10 30 DGEERO C=CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000236669722 1202618648 /nfs/dbraw/zinc/61/86/48/1202618648.db2.gz RXXVLRNFFCMSFW-UHFFFAOYSA-N 1 0 304.397 3.269 10 30 DGEERO C=CC[NH+]1CCC(NCc2c(F)cccc2N2CCCC2)CC1 ZINC000237792305 1202701642 /nfs/dbraw/zinc/70/16/42/1202701642.db2.gz GOAWDVGGCYGDCY-UHFFFAOYSA-N 1 0 317.452 3.166 10 30 DGEERO CCOc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000015457872 717111963 /nfs/dbraw/zinc/11/19/63/717111963.db2.gz XVEBWHYEQJYAEY-AWEZNQCLSA-O 1 0 305.442 3.431 10 30 DGEERO CCOc1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000015457871 717111987 /nfs/dbraw/zinc/11/19/87/717111987.db2.gz XVEBWHYEQJYAEY-CQSZACIVSA-O 1 0 305.442 3.431 10 30 DGEERO C[C@@H](C(=O)NCc1ccccc1Cl)[N+](C)(C)C1CCCC1 ZINC000015457911 717112502 /nfs/dbraw/zinc/11/25/02/717112502.db2.gz ZSAQAOIVYCJDHT-ZDUSSCGKSA-O 1 0 309.861 3.364 10 30 DGEERO C=C(Cl)C[NH2+]Cc1ccc(I)cc1 ZINC000167888202 1082909621 /nfs/dbraw/zinc/90/96/21/1082909621.db2.gz PHTBHCLUHLXAQS-UHFFFAOYSA-N 1 0 307.562 3.133 10 30 DGEERO Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000701875217 1108996319 /nfs/dbraw/zinc/99/63/19/1108996319.db2.gz WSLQVAFHVQPQHQ-UTKZUKDTSA-N 1 0 319.452 3.477 10 30 DGEERO CCc1cnc(CNC(NC2CCC(CC)CC2)=[NH+]C)s1 ZINC000130402322 529645519 /nfs/dbraw/zinc/64/55/19/529645519.db2.gz CKTXYXUKIJVAHN-UHFFFAOYSA-N 1 0 308.495 3.339 10 30 DGEERO N#CCCCC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000105868934 432019579 /nfs/dbraw/zinc/01/95/79/432019579.db2.gz GVJUGZKARARVGR-UHFFFAOYSA-N 1 0 324.428 3.153 10 30 DGEERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000174025459 198282337 /nfs/dbraw/zinc/28/23/37/198282337.db2.gz LEPMYKDZKZFFRT-CYBMUJFWSA-N 1 0 313.426 3.090 10 30 DGEERO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 ZINC000328740333 283058107 /nfs/dbraw/zinc/05/81/07/283058107.db2.gz IJCUXGKOTBIVHA-ZYHUDNBSSA-N 1 0 312.339 3.300 10 30 DGEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000164714887 432051451 /nfs/dbraw/zinc/05/14/51/432051451.db2.gz OTEJHHABEZHKNI-ABAIWWIYSA-N 1 0 320.824 3.062 10 30 DGEERO C=CC[N@@H+](CCc1c(C)noc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000165048865 432053676 /nfs/dbraw/zinc/05/36/76/432053676.db2.gz QNZNTURLRMGQHW-UHFFFAOYSA-N 1 0 315.373 3.430 10 30 DGEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cccc(Br)c1C#N ZINC000168567804 432068878 /nfs/dbraw/zinc/06/88/78/432068878.db2.gz IPMULNUKSUQUHD-LBPRGKRZSA-N 1 0 322.250 3.241 10 30 DGEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180882174 199223449 /nfs/dbraw/zinc/22/34/49/199223449.db2.gz AUMOUFDVQMYKIF-YOEHRIQHSA-N 1 0 321.428 3.425 10 30 DGEERO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000180176343 432080447 /nfs/dbraw/zinc/08/04/47/432080447.db2.gz NUNKYHZDOSAMBT-IRXDYDNUSA-N 1 0 311.429 3.022 10 30 DGEERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000170858062 432084746 /nfs/dbraw/zinc/08/47/46/432084746.db2.gz CSKZIGOXBNTUCZ-MRXNPFEDSA-N 1 0 319.408 3.001 10 30 DGEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000281216191 216160745 /nfs/dbraw/zinc/16/07/45/216160745.db2.gz KAUUKZOGGIOLET-KBAYOESNSA-N 1 0 302.393 3.213 10 30 DGEERO C=C(C)CN(CC)C(=O)CN1CCC[C@H]1c1csc(C)n1 ZINC000189841963 432096052 /nfs/dbraw/zinc/09/60/52/432096052.db2.gz AJOULFDQFMGRDY-HNNXBMFYSA-N 1 0 307.463 3.013 10 30 DGEERO C=C(C)COc1cc(C[N@H+]2CC[C@H](CO)[C@H]2CC)ccc1OC ZINC000449424479 240194045 /nfs/dbraw/zinc/19/40/45/240194045.db2.gz PDPWAYSPEHBYAY-IAGOWNOFSA-N 1 0 319.445 3.243 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2COCC2(C)C)ccc1OC ZINC000449622389 240324719 /nfs/dbraw/zinc/32/47/19/240324719.db2.gz DULZUSOTEPDIJB-KRWDZBQOSA-N 1 0 305.418 3.165 10 30 DGEERO N#Cc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)o1 ZINC000091955231 193133073 /nfs/dbraw/zinc/13/30/73/193133073.db2.gz XKBMPSLHDQBOPW-UHFFFAOYSA-N 1 0 306.369 3.407 10 30 DGEERO C[N@H+](CCc1ccc(F)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000092150143 193168900 /nfs/dbraw/zinc/16/89/00/193168900.db2.gz JOVSPXNIRJLLIU-UHFFFAOYSA-N 1 0 308.360 3.020 10 30 DGEERO C=CC[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000275193775 212186645 /nfs/dbraw/zinc/18/66/45/212186645.db2.gz XHJQDZMZHWDWKI-XVLXNVKGSA-N 1 0 312.457 3.478 10 30 DGEERO C=CCC[C@@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000472744002 244313313 /nfs/dbraw/zinc/31/33/13/244313313.db2.gz CMCGOCPNXIQKPT-JKSUJKDBSA-N 1 0 322.880 3.346 10 30 DGEERO C=CCC[C@H](O)C[N@@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472763479 244315543 /nfs/dbraw/zinc/31/55/43/244315543.db2.gz ARHLQLBOPXTQBQ-RLLQIKCJSA-N 1 0 316.489 3.471 10 30 DGEERO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868672 193321442 /nfs/dbraw/zinc/32/14/42/193321442.db2.gz SIFIHDYLNQSMIM-HOCLYGCPSA-N 1 0 314.458 3.312 10 30 DGEERO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134823702 335014416 /nfs/dbraw/zinc/01/44/16/335014416.db2.gz POJAHZUBKIYHHM-SJORKVTESA-N 1 0 305.393 3.190 10 30 DGEERO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(C#N)s1 ZINC000181505424 432132367 /nfs/dbraw/zinc/13/23/67/432132367.db2.gz YUPNGKGZYYACDC-ZDUSSCGKSA-N 1 0 312.442 3.334 10 30 DGEERO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)s2)c1 ZINC000135671541 432132529 /nfs/dbraw/zinc/13/25/29/432132529.db2.gz VXNNLRJEBSTYKJ-LLVKDONJSA-N 1 0 302.399 3.488 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccccc1)C(C)C ZINC000496014421 246342415 /nfs/dbraw/zinc/34/24/15/246342415.db2.gz OVBBEKOIELYPDS-SFHVURJKSA-N 1 0 300.446 3.044 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC)CCC#N ZINC000042955194 183321988 /nfs/dbraw/zinc/32/19/88/183321988.db2.gz NYPUYUSJTVOXFA-CABCVRRESA-N 1 0 324.266 3.463 10 30 DGEERO N#Cc1cccc(O[C@@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042957572 183323891 /nfs/dbraw/zinc/32/38/91/183323891.db2.gz FMLSTTDGNUBLQI-HNNXBMFYSA-N 1 0 317.186 3.400 10 30 DGEERO CC(C)N(CCC#N)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093396 183336431 /nfs/dbraw/zinc/33/64/31/183336431.db2.gz FYPROOLBFWSZGX-DOMZBBRYSA-N 1 0 324.266 3.461 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)[C@@H](C)CC#N ZINC000063085505 184269801 /nfs/dbraw/zinc/26/98/01/184269801.db2.gz BPBIXIBNQVBSPC-CQDKDKBSSA-N 1 0 324.266 3.461 10 30 DGEERO C#CC[NH+]1CCC(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000156532599 197120973 /nfs/dbraw/zinc/12/09/73/197120973.db2.gz DYVLRECVDNXPET-LJQANCHMSA-N 1 0 324.468 3.162 10 30 DGEERO C=C(C)COc1cccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000471272493 533520434 /nfs/dbraw/zinc/52/04/34/533520434.db2.gz IUGUDMFZMGJVPO-OAHLLOKOSA-N 1 0 319.449 3.493 10 30 DGEERO COc1cccc(NC(=[NH2+])NCC2(C(F)(F)F)CCC2)c1 ZINC000262674634 533574533 /nfs/dbraw/zinc/57/45/33/533574533.db2.gz SRULRRQOMJBTQD-UHFFFAOYSA-N 1 0 301.312 3.154 10 30 DGEERO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H](C#N)C3)C2)c1 ZINC000185830693 533577493 /nfs/dbraw/zinc/57/74/93/533577493.db2.gz DDASOQUWVZJYSG-BBWFWOEESA-N 1 0 313.445 3.336 10 30 DGEERO Cc1cc(C#N)nc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)n1 ZINC000587983879 400176274 /nfs/dbraw/zinc/17/62/74/400176274.db2.gz CIKGCBSVBALFEO-SFHVURJKSA-N 1 0 321.428 3.296 10 30 DGEERO C=CC[C@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000617041923 400289882 /nfs/dbraw/zinc/28/98/82/400289882.db2.gz KZSQCPMFWBNYGP-DOTOQJQBSA-N 1 0 301.434 3.159 10 30 DGEERO C=C(C)COc1cc(C[N@H+](C)[C@@H](CO)CC(C)C)ccc1OC ZINC000579892911 400344245 /nfs/dbraw/zinc/34/42/45/400344245.db2.gz JSIHNHHKYUUXDB-QGZVFWFLSA-N 1 0 321.461 3.489 10 30 DGEERO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1F ZINC000611589262 400427937 /nfs/dbraw/zinc/42/79/37/400427937.db2.gz WANSITKRKBWAQX-AMXDTQDGSA-N 1 0 316.401 3.286 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000076946197 400681777 /nfs/dbraw/zinc/68/17/77/400681777.db2.gz UAQLNNQRYNZIKR-GOSISDBHSA-N 1 0 315.461 3.431 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307700 400817614 /nfs/dbraw/zinc/81/76/14/400817614.db2.gz IPYSQXDYXRRBHN-GFCCVEGCSA-N 1 0 312.866 3.306 10 30 DGEERO C=CCCCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000605887948 400887834 /nfs/dbraw/zinc/88/78/34/400887834.db2.gz XXUIKUPBBKEIRF-INIZCTEOSA-N 1 0 309.498 3.495 10 30 DGEERO C=CCCCN(C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000605878289 400886808 /nfs/dbraw/zinc/88/68/08/400886808.db2.gz IPXNNMPGSPNEKC-HZPDHXFCSA-N 1 0 309.498 3.351 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000633411271 400940437 /nfs/dbraw/zinc/94/04/37/400940437.db2.gz MMIRDYYOCPXQBZ-KRWDZBQOSA-N 1 0 321.509 3.352 10 30 DGEERO C=C1CC(C)(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)C1 ZINC000633417925 400943935 /nfs/dbraw/zinc/94/39/35/400943935.db2.gz OVCFMWUIJVEAAM-UHFFFAOYSA-N 1 0 302.418 3.230 10 30 DGEERO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182016991 400890786 /nfs/dbraw/zinc/89/07/86/400890786.db2.gz HHLWDAJVNUXQBC-HNNXBMFYSA-N 1 0 320.371 3.109 10 30 DGEERO CN(CCC#N)C(=O)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183218372 400899572 /nfs/dbraw/zinc/89/95/72/400899572.db2.gz DHYBDICDIDTVRX-GOSISDBHSA-N 1 0 313.445 3.052 10 30 DGEERO C=CCOc1ccccc1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000593875519 400917624 /nfs/dbraw/zinc/91/76/24/400917624.db2.gz MWFWLBZTZWAOPR-HOTGVXAUSA-N 1 0 316.445 3.244 10 30 DGEERO C=CC[C@@H]1CC[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000625700437 401185717 /nfs/dbraw/zinc/18/57/17/401185717.db2.gz BUMYJQWPGXSJLU-QUCCMNQESA-N 1 0 314.473 3.176 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701376 401186562 /nfs/dbraw/zinc/18/65/62/401186562.db2.gz QPHZOSXOBMEVCB-KBPBESRZSA-N 1 0 322.399 3.382 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000625703085 401187268 /nfs/dbraw/zinc/18/72/68/401187268.db2.gz YFUTVZSEGKEPHJ-HNNXBMFYSA-N 1 0 304.409 3.072 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000625703090 401188388 /nfs/dbraw/zinc/18/83/88/401188388.db2.gz YFUTVZSEGKEPHJ-OAHLLOKOSA-N 1 0 304.409 3.072 10 30 DGEERO C=CCC1([NH2+]CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCCCC1 ZINC000625936352 401259536 /nfs/dbraw/zinc/25/95/36/401259536.db2.gz IZTOUMVQWZUYQB-SJORKVTESA-N 1 0 320.477 3.025 10 30 DGEERO C=CCC1([NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000625936351 401259906 /nfs/dbraw/zinc/25/99/06/401259906.db2.gz IZTOUMVQWZUYQB-IRXDYDNUSA-N 1 0 320.477 3.025 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000630860747 401343832 /nfs/dbraw/zinc/34/38/32/401343832.db2.gz PIQKVDVAHJYODP-OAHLLOKOSA-N 1 0 318.486 3.433 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000623466735 401524590 /nfs/dbraw/zinc/52/45/90/401524590.db2.gz KHYFUYJXRNLRQG-FGTMMUONSA-N 1 0 321.509 3.352 10 30 DGEERO C=CCCC(C)(C)CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000632883327 401634641 /nfs/dbraw/zinc/63/46/41/401634641.db2.gz SZYRGOHZWNHSRS-UHFFFAOYSA-N 1 0 307.482 3.152 10 30 DGEERO C=CCOc1ccc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cc1 ZINC000632880445 401634644 /nfs/dbraw/zinc/63/46/44/401634644.db2.gz QPFDPOMHVMDYNR-HNNXBMFYSA-N 1 0 322.408 3.029 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000624264414 401645087 /nfs/dbraw/zinc/64/50/87/401645087.db2.gz ZSKMJWPNDRBDDS-MJGOQNOKSA-N 1 0 317.477 3.007 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000624037128 401616719 /nfs/dbraw/zinc/61/67/19/401616719.db2.gz MYSCFXAYGHRXLK-CQSZACIVSA-N 1 0 324.490 3.204 10 30 DGEERO C=CCC(C)(C)CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633262434 401667246 /nfs/dbraw/zinc/66/72/46/401667246.db2.gz OMUABSUSRHSMKR-UHFFFAOYSA-N 1 0 307.482 3.249 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187232246 165082850 /nfs/dbraw/zinc/08/28/50/165082850.db2.gz ZXOXYTQVTUOCFR-HNAYVOBHSA-N 1 0 321.424 3.288 10 30 DGEERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191386807 165247936 /nfs/dbraw/zinc/24/79/36/165247936.db2.gz SFLOIOXUJDPVIQ-PBHICJAKSA-N 1 0 309.413 3.283 10 30 DGEERO Cn1cc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1C#N ZINC000191408653 165248889 /nfs/dbraw/zinc/24/88/89/165248889.db2.gz QSXWYTMKUHJPBL-QGZVFWFLSA-N 1 0 315.804 3.203 10 30 DGEERO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192145049 165283957 /nfs/dbraw/zinc/28/39/57/165283957.db2.gz OFQUDCBMSXLXRX-HNNXBMFYSA-N 1 0 312.388 3.470 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000160830740 228249220 /nfs/dbraw/zinc/24/92/20/228249220.db2.gz VVIXFAOVIMBNEO-UHFFFAOYSA-N 1 0 313.445 3.251 10 30 DGEERO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000182188162 228366861 /nfs/dbraw/zinc/36/68/61/228366861.db2.gz CMNIXRTTZJPXEO-ZDUSSCGKSA-N 1 0 308.447 3.071 10 30 DGEERO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000185795201 228397071 /nfs/dbraw/zinc/39/70/71/228397071.db2.gz CFZSPPCOZQIHGP-RTBURBONSA-N 1 0 321.424 3.069 10 30 DGEERO [NH2+]=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000262310398 228642581 /nfs/dbraw/zinc/64/25/81/228642581.db2.gz NQMLHSOZKCYUIO-UHFFFAOYSA-N 1 0 324.812 3.028 10 30 DGEERO [NH2+]=C(Nc1ccccn1)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000262476353 228644829 /nfs/dbraw/zinc/64/48/29/228644829.db2.gz QFOUMRPSJSLLPR-UHFFFAOYSA-N 1 0 318.783 3.489 10 30 DGEERO [NH2+]=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)NC1CC1 ZINC000262702152 228646181 /nfs/dbraw/zinc/64/61/81/228646181.db2.gz ZKEOAUXEZIUYNT-UHFFFAOYSA-N 1 0 311.351 3.194 10 30 DGEERO Cc1cc(C(F)(F)F)c(C#N)c(SC[C@H](C)[NH+](C)C)n1 ZINC000358857517 269911136 /nfs/dbraw/zinc/91/11/36/269911136.db2.gz ZTDHBFRCMJNMMH-VIFPVBQESA-N 1 0 303.353 3.323 10 30 DGEERO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000247422209 432229466 /nfs/dbraw/zinc/22/94/66/432229466.db2.gz OBYOPBMGTXTABW-MAUKXSAKSA-N 1 0 316.445 3.054 10 30 DGEERO CC[NH+](CC)CC1CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000359909856 266113029 /nfs/dbraw/zinc/11/30/29/266113029.db2.gz ZIAVIIULLUMJIS-UHFFFAOYSA-N 1 0 320.868 3.473 10 30 DGEERO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(C#N)cc1F ZINC000358567825 267185428 /nfs/dbraw/zinc/18/54/28/267185428.db2.gz JUSJQDQXHWLFPI-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO Cc1csc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000371189170 267551237 /nfs/dbraw/zinc/55/12/37/267551237.db2.gz QNBUSHHEVLVAQM-UHFFFAOYSA-N 1 0 312.442 3.400 10 30 DGEERO N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000374766587 268128124 /nfs/dbraw/zinc/12/81/24/268128124.db2.gz XLYPLGPKCXBJTM-QUCCMNQESA-N 1 0 318.424 3.197 10 30 DGEERO N#Cc1csc(C[NH2+]CCc2ccc(Br)cc2)n1 ZINC000352838302 268320131 /nfs/dbraw/zinc/32/01/31/268320131.db2.gz MBDIVRVEAKMWHB-UHFFFAOYSA-N 1 0 322.231 3.110 10 30 DGEERO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC([NH+](C)C)CC1 ZINC000301374244 274700761 /nfs/dbraw/zinc/70/07/61/274700761.db2.gz WROZPKIDQSFKPU-UHFFFAOYSA-N 1 0 312.392 3.084 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2nc(C3CC3)nc3[nH]ccc32)CC1 ZINC000631107976 429974800 /nfs/dbraw/zinc/97/48/00/429974800.db2.gz JMCBYPBELYVFTH-UHFFFAOYSA-N 1 0 311.433 3.288 10 30 DGEERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000328798450 279315592 /nfs/dbraw/zinc/31/55/92/279315592.db2.gz GCZHCDRHZRBOKQ-ZDUSSCGKSA-N 1 0 315.417 3.355 10 30 DGEERO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCSCC#N)c1 ZINC000074981358 431444812 /nfs/dbraw/zinc/44/48/12/431444812.db2.gz MPMAOWXMKPMZDJ-INIZCTEOSA-N 1 0 320.458 3.488 10 30 DGEERO C=CCCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076735508 431562817 /nfs/dbraw/zinc/56/28/17/431562817.db2.gz PHLIWVJIKUCCRL-UHFFFAOYSA-N 1 0 302.334 3.043 10 30 DGEERO C=CCCOCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000120813689 431733728 /nfs/dbraw/zinc/73/37/28/431733728.db2.gz LVIKRAIIVZHTQT-UHFFFAOYSA-N 1 0 302.187 3.271 10 30 DGEERO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000123052210 431853326 /nfs/dbraw/zinc/85/33/26/431853326.db2.gz MRMXIXGZHHRQKD-LJQANCHMSA-N 1 0 323.440 3.431 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccccc4)CC3)n2c1 ZINC000123241977 431858702 /nfs/dbraw/zinc/85/87/02/431858702.db2.gz PSWIZMRMPZWFJP-UHFFFAOYSA-N 1 0 302.381 3.027 10 30 DGEERO N#Cc1cccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123597443 431869075 /nfs/dbraw/zinc/86/90/75/431869075.db2.gz FUOZSBBJJYMIIV-SJORKVTESA-N 1 0 302.443 3.045 10 30 DGEERO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2nc(C)no2)cc1 ZINC000089517839 431869173 /nfs/dbraw/zinc/86/91/73/431869173.db2.gz CGICXBSVEZSCFK-GFCCVEGCSA-N 1 0 321.808 3.403 10 30 DGEERO C=CCC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1OC)C(C)C ZINC000036031991 431833381 /nfs/dbraw/zinc/83/33/81/431833381.db2.gz HPCBAUDFCWJDCK-MRXNPFEDSA-N 1 0 307.434 3.241 10 30 DGEERO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095532 431835869 /nfs/dbraw/zinc/83/58/69/431835869.db2.gz FUVAGZZUMKRDJG-ROUUACIJSA-N 1 0 307.409 3.134 10 30 DGEERO CN(CCC#N)c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810911 431912085 /nfs/dbraw/zinc/91/20/85/431912085.db2.gz OFVSPJUTUXXOKO-UHFFFAOYSA-N 1 0 323.444 3.139 10 30 DGEERO CC(C)(CCC#N)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000093321508 431914385 /nfs/dbraw/zinc/91/43/85/431914385.db2.gz DSQZSBZWGWMVPS-UHFFFAOYSA-N 1 0 319.493 3.477 10 30 DGEERO C#CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093644505 431915666 /nfs/dbraw/zinc/91/56/66/431915666.db2.gz DHABWNVALKDXFQ-AEFFLSMTSA-N 1 0 300.446 3.003 10 30 DGEERO C#CCOc1ccc(C[N@H+](CC)CCc2nccs2)cc1 ZINC000093764601 431916773 /nfs/dbraw/zinc/91/67/73/431916773.db2.gz KHFXVBAPZUIZNT-UHFFFAOYSA-N 1 0 300.427 3.220 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1N(C)C ZINC000090106686 431890317 /nfs/dbraw/zinc/89/03/17/431890317.db2.gz CITQAWSYZSKGSX-OAHLLOKOSA-N 1 0 309.413 3.354 10 30 DGEERO CC[NH+](CC)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101558 431902740 /nfs/dbraw/zinc/90/27/40/431902740.db2.gz GVTCEGJUCWXBGQ-UHFFFAOYSA-N 1 0 321.424 3.183 10 30 DGEERO C[N@H+](CCOCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000051400929 431951355 /nfs/dbraw/zinc/95/13/55/431951355.db2.gz UADDVWCVYFDNPK-UHFFFAOYSA-N 1 0 310.397 3.086 10 30 DGEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000248745835 432316432 /nfs/dbraw/zinc/31/64/32/432316432.db2.gz BBDTVONDZAPHPO-HZSPNIEDSA-N 1 0 305.372 3.215 10 30 DGEERO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H](C#N)C3)C2)c1 ZINC000248793962 432318110 /nfs/dbraw/zinc/31/81/10/432318110.db2.gz IZFFPPVIWMQVDB-BRWVUGGUSA-N 1 0 313.445 3.193 10 30 DGEERO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000248894192 432327100 /nfs/dbraw/zinc/32/71/00/432327100.db2.gz GIVGHZQFVRKYFY-BVGQSLNGSA-N 1 0 312.438 3.389 10 30 DGEERO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000192118647 432333094 /nfs/dbraw/zinc/33/30/94/432333094.db2.gz SUASVBUVCPQVIX-GOSISDBHSA-N 1 0 308.429 3.090 10 30 DGEERO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000249044489 432334902 /nfs/dbraw/zinc/33/49/02/432334902.db2.gz NLAMYFXOEMGNTC-YWVIFJGQSA-N 1 0 311.347 3.291 10 30 DGEERO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccnn2C)cc1 ZINC000152214954 432313245 /nfs/dbraw/zinc/31/32/45/432313245.db2.gz QMAFNVBOBHXKEZ-ZDUSSCGKSA-N 1 0 305.809 3.402 10 30 DGEERO C=C[C@@H](CC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000252801404 432388094 /nfs/dbraw/zinc/38/80/94/432388094.db2.gz JLODSMFXIKDROA-WMZOPIPTSA-N 1 0 300.446 3.289 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000193112119 432450001 /nfs/dbraw/zinc/45/00/01/432450001.db2.gz YKXICQNWVYLMBJ-NSHDSACASA-N 1 0 300.855 3.477 10 30 DGEERO C=CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175591328 432450915 /nfs/dbraw/zinc/45/09/15/432450915.db2.gz ZNLIBEYENNAQIW-GOEBONIOSA-N 1 0 317.433 3.198 10 30 DGEERO CC#CCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185303629 432489098 /nfs/dbraw/zinc/48/90/98/432489098.db2.gz DXZUJTIVUGGMQD-LJQANCHMSA-N 1 0 312.457 3.351 10 30 DGEERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(CC#N)cc1 ZINC000185994501 432552170 /nfs/dbraw/zinc/55/21/70/432552170.db2.gz AMNIGBVNRGDAQA-HNNXBMFYSA-N 1 0 314.433 3.139 10 30 DGEERO C[C@@H]1CCC[N@@H+]1C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000154936568 432530164 /nfs/dbraw/zinc/53/01/64/432530164.db2.gz CETDCGWNHZXOEA-GFCCVEGCSA-N 1 0 305.372 3.290 10 30 DGEERO Cc1cc(C#N)ccc1CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000186220862 432568995 /nfs/dbraw/zinc/56/89/95/432568995.db2.gz PFQDHUIWGCOLSS-UHFFFAOYSA-N 1 0 308.429 3.282 10 30 DGEERO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000186309460 432581721 /nfs/dbraw/zinc/58/17/21/432581721.db2.gz JGXNBRKGZOHJJV-QGZVFWFLSA-N 1 0 321.428 3.173 10 30 DGEERO Clc1ccc(C#CCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000177121581 432588193 /nfs/dbraw/zinc/58/81/93/432588193.db2.gz HEXYQZSTBJKRCN-UHFFFAOYSA-N 1 0 302.849 3.252 10 30 DGEERO Clc1cccc(C#CCN2CCC([NH+]3CCCC3)CC2)c1 ZINC000156187879 432591844 /nfs/dbraw/zinc/59/18/44/432591844.db2.gz MYPLLZYONJRELA-UHFFFAOYSA-N 1 0 302.849 3.252 10 30 DGEERO C=CC[NH+]1CCC(Nc2ncnc3cc(Cl)ccc32)CC1 ZINC000264461603 432648525 /nfs/dbraw/zinc/64/85/25/432648525.db2.gz PYRPURBJLMYZDX-UHFFFAOYSA-N 1 0 302.809 3.346 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160022214 432705321 /nfs/dbraw/zinc/70/53/21/432705321.db2.gz AORWMRQMIXZXBM-AEFFLSMTSA-N 1 0 315.461 3.257 10 30 DGEERO COc1ccc(C#N)cc1CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000159207879 432674441 /nfs/dbraw/zinc/67/44/41/432674441.db2.gz HUCQDIFELYDPJP-GOSISDBHSA-N 1 0 312.369 3.042 10 30 DGEERO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000179015629 432796789 /nfs/dbraw/zinc/79/67/89/432796789.db2.gz XCKQUONYEJDWKU-ROUUACIJSA-N 1 0 320.396 3.125 10 30 DGEERO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000245903288 432868830 /nfs/dbraw/zinc/86/88/30/432868830.db2.gz QEQMIFLLHIKCDQ-IAGOWNOFSA-N 1 0 315.804 3.340 10 30 DGEERO C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245717585 432857827 /nfs/dbraw/zinc/85/78/27/432857827.db2.gz UHENEZVIMGOORC-MAUKXSAKSA-N 1 0 313.832 3.471 10 30 DGEERO C=CCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245708505 432858419 /nfs/dbraw/zinc/85/84/19/432858419.db2.gz SKIMLDGYAYWJBV-NVXWUHKLSA-N 1 0 308.372 3.183 10 30 DGEERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000330251406 432899690 /nfs/dbraw/zinc/89/96/90/432899690.db2.gz HNYXNTJRQQAXIE-DLTLXFJOSA-N 1 0 302.418 3.250 10 30 DGEERO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000446845892 433119145 /nfs/dbraw/zinc/11/91/45/433119145.db2.gz SHQCHCOJMOLAJH-DLBZAZTESA-N 1 0 304.482 3.422 10 30 DGEERO C=CCN1CCC([NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281329307 433285768 /nfs/dbraw/zinc/28/57/68/433285768.db2.gz TXDMWIOSCAVCFF-KRWDZBQOSA-N 1 0 304.409 3.062 10 30 DGEERO C=CCCCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000448031745 433354887 /nfs/dbraw/zinc/35/48/87/433354887.db2.gz RVJATJHLMSUIHN-IAGOWNOFSA-N 1 0 315.461 3.257 10 30 DGEERO C=CCCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000448041346 433355312 /nfs/dbraw/zinc/35/53/12/433355312.db2.gz DKHDDVUGTATRJB-UHFFFAOYSA-N 1 0 307.482 3.250 10 30 DGEERO C=CCCCNC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000448093293 433358269 /nfs/dbraw/zinc/35/82/69/433358269.db2.gz IHHZEEOIKWKRSI-KRWDZBQOSA-N 1 0 303.450 3.117 10 30 DGEERO Cc1csc(NC2CCN(Cc3ccc(C#N)s3)CC2)n1 ZINC000375218691 433388712 /nfs/dbraw/zinc/38/87/12/433388712.db2.gz SUPZXITUPRIABQ-UHFFFAOYSA-N 1 0 318.471 3.461 10 30 DGEERO C=CCCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000448380996 433405261 /nfs/dbraw/zinc/40/52/61/433405261.db2.gz IFFIRVOWPGGCJG-SJORKVTESA-N 1 0 307.482 3.249 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1 ZINC000448377200 433405476 /nfs/dbraw/zinc/40/54/76/433405476.db2.gz RGWQWYGVLKCYBN-TXPKVOOTSA-N 1 0 317.429 3.020 10 30 DGEERO N#Cc1cc(N2CC[NH+](C3CCCC3)CC2)c2ccccc2n1 ZINC000301375534 433530492 /nfs/dbraw/zinc/53/04/92/433530492.db2.gz XIIORIXTNQWQDD-UHFFFAOYSA-N 1 0 306.413 3.171 10 30 DGEERO CCC[N@@H+]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301391744 433534132 /nfs/dbraw/zinc/53/41/32/433534132.db2.gz HOILIKYCFVLIJR-UHFFFAOYSA-N 1 0 311.351 3.499 10 30 DGEERO CCc1nnc(NCCC[N@@H+]2CCC[C@@H](C)C2)c(C#N)c1CC ZINC000301628172 433646640 /nfs/dbraw/zinc/64/66/40/433646640.db2.gz RJQBFIKJEPGWGU-CQSZACIVSA-N 1 0 315.465 3.007 10 30 DGEERO Cc1cc(N2CCC[N@H+](Cc3ccccc3)CC2)c(C#N)c(C)n1 ZINC000301663683 433661425 /nfs/dbraw/zinc/66/14/25/433661425.db2.gz KNZZLRRLLQCFPT-UHFFFAOYSA-N 1 0 320.440 3.282 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000414542037 433707156 /nfs/dbraw/zinc/70/71/56/433707156.db2.gz CTRLPNYLEDDSTG-KRWDZBQOSA-N 1 0 315.388 3.256 10 30 DGEERO CC[NH+](CC)[C@@H](C)CNc1ccc(C#N)cc1Br ZINC000301896396 433782873 /nfs/dbraw/zinc/78/28/73/433782873.db2.gz ZIQBRUINCWWLIU-NSHDSACASA-N 1 0 310.239 3.463 10 30 DGEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000285185868 433919490 /nfs/dbraw/zinc/91/94/90/433919490.db2.gz ROKYIGYARQYMMQ-UXHICEINSA-N 1 0 320.436 3.040 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000415574260 433985609 /nfs/dbraw/zinc/98/56/09/433985609.db2.gz DELGATJEEUXKBP-HNNXBMFYSA-N 1 0 301.434 3.412 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000415584521 433985631 /nfs/dbraw/zinc/98/56/31/433985631.db2.gz SUQFOUJYSSBQGQ-OAHLLOKOSA-N 1 0 301.434 3.412 10 30 DGEERO C=CCC(C)(C)CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416236910 434066982 /nfs/dbraw/zinc/06/69/82/434066982.db2.gz CMCYXGKDEYKOHF-UHFFFAOYSA-N 1 0 300.446 3.153 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)cc1Cl ZINC000295133766 434220793 /nfs/dbraw/zinc/22/07/93/434220793.db2.gz YOGPRIPGYKJSQQ-GXTWGEPZSA-N 1 0 319.779 3.399 10 30 DGEERO C=C(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000378530775 434213633 /nfs/dbraw/zinc/21/36/33/434213633.db2.gz FSTKOLBRABPHAD-HNNXBMFYSA-N 1 0 316.449 3.294 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)cc1Cl ZINC000295133772 434217779 /nfs/dbraw/zinc/21/77/79/434217779.db2.gz YOGPRIPGYKJSQQ-TZMCWYRMSA-N 1 0 319.779 3.399 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328634751 434293845 /nfs/dbraw/zinc/29/38/45/434293845.db2.gz BQIDTUJYFNVZPJ-LSDHHAIUSA-N 1 0 309.454 3.353 10 30 DGEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2C2CCCCC2)C1 ZINC000328705899 434302184 /nfs/dbraw/zinc/30/21/84/434302184.db2.gz AEPWXTJHGNZTCN-OAHLLOKOSA-N 1 0 318.465 3.257 10 30 DGEERO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(C#N)cc1F ZINC000358580433 434398608 /nfs/dbraw/zinc/39/86/08/434398608.db2.gz XVHDNNIHLIJDOE-HIFRSBDPSA-N 1 0 318.392 3.076 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(C#N)cc1F ZINC000358599168 434398871 /nfs/dbraw/zinc/39/88/71/434398871.db2.gz ZHINEVXNVFGBBN-NSHDSACASA-N 1 0 312.348 3.039 10 30 DGEERO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000366973770 434533454 /nfs/dbraw/zinc/53/34/54/434533454.db2.gz BXVCNOPPGIJHMY-GOSISDBHSA-N 1 0 324.428 3.270 10 30 DGEERO C=CCC[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417906592 434546986 /nfs/dbraw/zinc/54/69/86/434546986.db2.gz CDUJSGGULSGKRN-QZTJIDSGSA-N 1 0 313.445 3.230 10 30 DGEERO C[C@@H]1CCC[C@@](C#N)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000408229671 434555290 /nfs/dbraw/zinc/55/52/90/434555290.db2.gz VOHJFPOIYXRPFJ-CRAIPNDOSA-N 1 0 305.466 3.087 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000424172491 434644511 /nfs/dbraw/zinc/64/45/11/434644511.db2.gz OEJBGMFTHKWUEL-KWSIVJBESA-N 1 0 301.430 3.417 10 30 DGEERO CC#CC[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000369620791 434600056 /nfs/dbraw/zinc/60/00/56/434600056.db2.gz HIYUFKGTXMKWBW-INIZCTEOSA-N 1 0 302.805 3.111 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000424300001 434684817 /nfs/dbraw/zinc/68/48/17/434684817.db2.gz WMMOFGSNOHSARU-WQCNXYOZSA-N 1 0 319.420 3.474 10 30 DGEERO C=CCOc1cccc(C[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000361060329 434784071 /nfs/dbraw/zinc/78/40/71/434784071.db2.gz LMGOAMNSQLBAFG-UHFFFAOYSA-N 1 0 311.429 3.154 10 30 DGEERO C=CCOc1ccc(CN2CC[C@@H](C)C[C@@H]2C(=O)OC)cc1 ZINC000361139589 434807892 /nfs/dbraw/zinc/80/78/92/434807892.db2.gz GYYFDFMCSIFFSM-RHSMWYFYSA-N 1 0 303.402 3.025 10 30 DGEERO C=CCOc1ccc(CN2CC[C@H](C)C[C@H]2C(=O)OC)cc1 ZINC000361139592 434808928 /nfs/dbraw/zinc/80/89/28/434808928.db2.gz GYYFDFMCSIFFSM-YOEHRIQHSA-N 1 0 303.402 3.025 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000521600885 434888494 /nfs/dbraw/zinc/88/84/94/434888494.db2.gz OWPRBSXOWWTWTB-KBAYOESNSA-N 1 0 321.509 3.397 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000554819175 434948211 /nfs/dbraw/zinc/94/82/11/434948211.db2.gz UWVUJVJDIWHGTI-UHFFFAOYSA-N 1 0 303.431 3.441 10 30 DGEERO C=CC[NH+]1CCC(NCc2ccsc2Br)CC1 ZINC000527657478 435013030 /nfs/dbraw/zinc/01/30/30/435013030.db2.gz RFEIXMSCYFRHOK-UHFFFAOYSA-N 1 0 315.280 3.251 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC000527715854 435013930 /nfs/dbraw/zinc/01/39/30/435013930.db2.gz KWFLADFTIBQBBZ-CABCVRRESA-N 1 0 309.381 3.056 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000527924149 435017320 /nfs/dbraw/zinc/01/73/20/435017320.db2.gz HCZPJAMRXORVPI-WMZOPIPTSA-N 1 0 301.478 3.484 10 30 DGEERO C=CCCCCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000574651541 434994636 /nfs/dbraw/zinc/99/46/36/434994636.db2.gz NQJOMYCIQLBKLA-MRXNPFEDSA-N 1 0 307.482 3.152 10 30 DGEERO C=CCCCCCN(C)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000466090255 435061373 /nfs/dbraw/zinc/06/13/73/435061373.db2.gz GZSMMYPURIPCJR-UHFFFAOYSA-N 1 0 309.498 3.496 10 30 DGEERO C=CCOc1ccc(C[N@H+](C)[C@@H](CO)CC(C)C)cc1OC ZINC000558423215 435089006 /nfs/dbraw/zinc/08/90/06/435089006.db2.gz IIFCJCGLINZKAB-MRXNPFEDSA-N 1 0 307.434 3.099 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000466905204 435098125 /nfs/dbraw/zinc/09/81/25/435098125.db2.gz DHUPQEAXVDKIGT-IBGZPJMESA-N 1 0 311.425 3.253 10 30 DGEERO C=CCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000466979363 435102957 /nfs/dbraw/zinc/10/29/57/435102957.db2.gz QDHNTUVSEBNHRF-UHFFFAOYSA-N 1 0 315.461 3.390 10 30 DGEERO C=CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000467103889 435109217 /nfs/dbraw/zinc/10/92/17/435109217.db2.gz KTFFYRSBVGUWNY-GDBMZVCRSA-N 1 0 321.490 3.349 10 30 DGEERO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[NH+](CCC)CC1 ZINC000558993461 435118802 /nfs/dbraw/zinc/11/88/02/435118802.db2.gz NJXGXRQXGQCOJI-UHFFFAOYSA-N 1 0 317.481 3.044 10 30 DGEERO C=C[C@@H](CC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000533924528 435260712 /nfs/dbraw/zinc/26/07/12/435260712.db2.gz ABNMOKYNDOGEMF-IRXDYDNUSA-N 1 0 300.446 3.337 10 30 DGEERO C=CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccc(F)cc1 ZINC000479220008 435322861 /nfs/dbraw/zinc/32/28/61/435322861.db2.gz SMUIMMNEZIMLPY-LBPRGKRZSA-N 1 0 320.437 3.312 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000535806058 435354939 /nfs/dbraw/zinc/35/49/39/435354939.db2.gz CDAQGQXKMGQDMG-SJLPKXTDSA-N 1 0 301.430 3.500 10 30 DGEERO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1F ZINC000512618017 435363265 /nfs/dbraw/zinc/36/32/65/435363265.db2.gz HLOMHOMFGHIONI-GFCCVEGCSA-N 1 0 313.332 3.499 10 30 DGEERO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1F ZINC000512654511 435363294 /nfs/dbraw/zinc/36/32/94/435363294.db2.gz MUOGUFXKOGHJTL-GFCCVEGCSA-N 1 0 313.332 3.499 10 30 DGEERO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512658873 435366106 /nfs/dbraw/zinc/36/61/06/435366106.db2.gz AOSLTIQVVIKTNS-GFCCVEGCSA-N 1 0 313.332 3.499 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC1(C)C)C(C)C ZINC000480650382 435388590 /nfs/dbraw/zinc/38/85/90/435388590.db2.gz RQRQPFCIBPDVCJ-INIZCTEOSA-N 1 0 307.482 3.269 10 30 DGEERO C=CCOc1ccc(C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC000480621191 435389269 /nfs/dbraw/zinc/38/92/69/435389269.db2.gz JEKQIMNSJVGOML-LJQANCHMSA-N 1 0 311.425 3.287 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411903 435517500 /nfs/dbraw/zinc/51/75/00/435517500.db2.gz RPZXQSFVGAYREH-LJQANCHMSA-N 1 0 318.436 3.214 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000539850821 435576300 /nfs/dbraw/zinc/57/63/00/435576300.db2.gz SAGYEKKYONZTPG-GOSISDBHSA-N 1 0 301.430 3.500 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000519301575 435677188 /nfs/dbraw/zinc/67/71/88/435677188.db2.gz LOFREVMODZPNFK-SJORKVTESA-N 1 0 307.482 3.151 10 30 DGEERO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000543416410 314133007 /nfs/dbraw/zinc/13/30/07/314133007.db2.gz KEWILPNYBWKLAE-RHSMWYFYSA-N 1 0 312.388 3.342 10 30 DGEERO N#Cc1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1F ZINC000552828237 314625334 /nfs/dbraw/zinc/62/53/34/314625334.db2.gz LOPCAUKIQFSEGG-UHFFFAOYSA-N 1 0 302.393 3.336 10 30 DGEERO COc1cccc(F)c1[C@H](C)[NH2+]CCOc1ccccc1C#N ZINC000179938106 323217766 /nfs/dbraw/zinc/21/77/66/323217766.db2.gz JWMGQYKLUIBPIS-ZDUSSCGKSA-N 1 0 314.360 3.436 10 30 DGEERO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000181161849 332186861 /nfs/dbraw/zinc/18/68/61/332186861.db2.gz KKLMSQBXVYMXJS-FQEVSTJZSA-N 1 0 308.425 3.285 10 30 DGEERO C=CCc1cc(C[NH2+]Cc2ccc(CC#N)cc2)cc(OC)c1O ZINC000516769231 333204779 /nfs/dbraw/zinc/20/47/79/333204779.db2.gz WMYZGUYJIWPPJB-UHFFFAOYSA-N 1 0 322.408 3.485 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179261428 337168281 /nfs/dbraw/zinc/16/82/81/337168281.db2.gz CNXZWJQYWFVOFF-SJORKVTESA-N 1 0 301.434 3.039 10 30 DGEERO COc1ccc(NC(=[NH2+])NC[C@H]2CCC(C)(C)O2)cc1Cl ZINC000262430483 337617634 /nfs/dbraw/zinc/61/76/34/337617634.db2.gz JCUAWYCDUDBEIS-LLVKDONJSA-N 1 0 311.813 3.033 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000499255731 340033520 /nfs/dbraw/zinc/03/35/20/340033520.db2.gz ZEFOQCXLAXHWBI-DLBZAZTESA-N 1 0 303.446 3.480 10 30 DGEERO C=CCN(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000504831936 340153327 /nfs/dbraw/zinc/15/33/27/340153327.db2.gz QQXJYGWQVSBDOH-SFHVURJKSA-N 1 0 317.477 3.361 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000505023575 340159197 /nfs/dbraw/zinc/15/91/97/340159197.db2.gz NFDUXKVMEVPCRN-OAHLLOKOSA-N 1 0 301.434 3.221 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000505035345 340159526 /nfs/dbraw/zinc/15/95/26/340159526.db2.gz LMFQJLOJZTVNTB-KRWDZBQOSA-N 1 0 311.429 3.283 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000505038683 340159644 /nfs/dbraw/zinc/15/96/44/340159644.db2.gz LAYJDZRFQAMSCS-LSDHHAIUSA-N 1 0 301.434 3.362 10 30 DGEERO C=C(C)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000509365351 340267372 /nfs/dbraw/zinc/26/73/72/340267372.db2.gz IZSKHDFJJUIZTR-QGZVFWFLSA-N 1 0 314.429 3.381 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184267739 340491688 /nfs/dbraw/zinc/49/16/88/340491688.db2.gz PUKNAMWTTRXWBF-INIZCTEOSA-N 1 0 315.461 3.369 10 30 DGEERO C=CC[C@H](CO)C[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000542486903 341009839 /nfs/dbraw/zinc/00/98/39/341009839.db2.gz VNGSOHHTPNOIHX-HJOIGYKYSA-N 1 0 303.446 3.496 10 30 DGEERO Cc1cc(C)n2c(C[NH2+][C@H](CCC#N)c3ccccc3)cnc2n1 ZINC000130390085 341020649 /nfs/dbraw/zinc/02/06/49/341020649.db2.gz VAJMQEZYLJGLQS-GOSISDBHSA-N 1 0 319.412 3.481 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000552268480 341382358 /nfs/dbraw/zinc/38/23/58/341382358.db2.gz KVMFBCVMPYSRLS-RCCFBDPRSA-N 1 0 300.446 3.214 10 30 DGEERO C=CCC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000249534445 341399018 /nfs/dbraw/zinc/39/90/18/341399018.db2.gz CAUALJYUPFBLQZ-QZTJIDSGSA-N 1 0 300.446 3.337 10 30 DGEERO C=CCCCCC[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000569116969 341691238 /nfs/dbraw/zinc/69/12/38/341691238.db2.gz KYHMJIKFUKCGSO-INIZCTEOSA-N 1 0 309.475 3.493 10 30 DGEERO C=CCCC[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000577583427 341920532 /nfs/dbraw/zinc/92/05/32/341920532.db2.gz VHGKQZYFUVLFQL-UHFFFAOYSA-N 1 0 303.358 3.284 10 30 DGEERO COc1cc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)ccc1C#N ZINC000442879625 533793892 /nfs/dbraw/zinc/79/38/92/533793892.db2.gz JHFWZFWLEQRLOE-CQSZACIVSA-N 1 0 310.397 3.335 10 30 DGEERO C=C[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(OCC)c1 ZINC000459443426 534507870 /nfs/dbraw/zinc/50/78/70/534507870.db2.gz NHRLHOJUGBECRD-SECBINFHSA-N 1 0 300.196 3.218 10 30 DGEERO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC000185794506 534749213 /nfs/dbraw/zinc/74/92/13/534749213.db2.gz KYWCFXDPBPDPCF-DLBZAZTESA-N 1 0 311.429 3.375 10 30 DGEERO C=CC[N@H+](CCc1ccco1)Cc1cnc2ccc(C#N)cn12 ZINC000352929881 526327759 /nfs/dbraw/zinc/32/77/59/526327759.db2.gz IUDYSLMFAMOTCE-UHFFFAOYSA-N 1 0 306.369 3.030 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC(OCC)C1 ZINC000351860835 526349611 /nfs/dbraw/zinc/34/96/11/526349611.db2.gz QKTXCUTVGUKXJG-UHFFFAOYSA-N 1 0 304.390 3.398 10 30 DGEERO C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000352542981 526632763 /nfs/dbraw/zinc/63/27/63/526632763.db2.gz ASJWEJPMSNLXCE-GUYCJALGSA-N 1 0 322.399 3.239 10 30 DGEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127737668 526633103 /nfs/dbraw/zinc/63/31/03/526633103.db2.gz RTVQBKQHTQTRDY-UONOGXRCSA-N 1 0 321.490 3.137 10 30 DGEERO C=C(C)COc1cc(C[N@@H+]2CCOCC3(CC3)C2)ccc1OC ZINC000341559456 526660398 /nfs/dbraw/zinc/66/03/98/526660398.db2.gz GLSZGWOICBJWFK-UHFFFAOYSA-N 1 0 317.429 3.263 10 30 DGEERO C=CC[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429354014 526677469 /nfs/dbraw/zinc/67/74/69/526677469.db2.gz LPAOHBHAEXNLDS-QFBILLFUSA-N 1 0 313.372 3.352 10 30 DGEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000435752647 526849538 /nfs/dbraw/zinc/84/95/38/526849538.db2.gz YZASNDWFICXSQZ-GOEBONIOSA-N 1 0 315.442 3.276 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)cc1 ZINC000344814295 526885321 /nfs/dbraw/zinc/88/53/21/526885321.db2.gz OONGYXVVZJKEJF-CQSZACIVSA-N 1 0 303.324 3.308 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000352372104 526932032 /nfs/dbraw/zinc/93/20/32/526932032.db2.gz OBEYTVNPZJGFKI-MRXNPFEDSA-N 1 0 311.429 3.365 10 30 DGEERO CC(C)(CCC#N)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000360429181 526996086 /nfs/dbraw/zinc/99/60/86/526996086.db2.gz YMPCCIOYSFTNTP-UHFFFAOYSA-N 1 0 313.445 3.342 10 30 DGEERO C=CCC(C)(C)C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000340430505 527019805 /nfs/dbraw/zinc/01/98/05/527019805.db2.gz WYLRVEFPMCNUIR-NSHDSACASA-N 1 0 300.244 3.226 10 30 DGEERO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000412839525 527111969 /nfs/dbraw/zinc/11/19/69/527111969.db2.gz LUWAWKUAAZJZGQ-SZMVWBNQSA-N 1 0 300.446 3.020 10 30 DGEERO C#CCOc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178356341 527116338 /nfs/dbraw/zinc/11/63/38/527116338.db2.gz RZDZCOYOLVGZQV-GKCIPKSASA-N 1 0 307.393 3.008 10 30 DGEERO C=CCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000351639588 527159664 /nfs/dbraw/zinc/15/96/64/527159664.db2.gz QJJWVOCARZNDRY-SJORKVTESA-N 1 0 301.434 3.087 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000346960591 527192881 /nfs/dbraw/zinc/19/28/81/527192881.db2.gz KJZONYMAJBGTBY-SFHVURJKSA-N 1 0 300.446 3.420 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000186402477 527210781 /nfs/dbraw/zinc/21/07/81/527210781.db2.gz LEKXSYQNEBUWHA-DGCLKSJQSA-N 1 0 314.223 3.132 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000349758172 527211015 /nfs/dbraw/zinc/21/10/15/527211015.db2.gz MGHSKQSBDMESOB-ZYHUDNBSSA-N 1 0 316.214 3.046 10 30 DGEERO C=CCc1cc(C[N@@H+](C[C@@H](C)OC)C(C)C)cc(OC)c1O ZINC000353777497 527237629 /nfs/dbraw/zinc/23/76/29/527237629.db2.gz BCLIQGSKWYWICW-CQSZACIVSA-N 1 0 307.434 3.375 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000359509546 527248991 /nfs/dbraw/zinc/24/89/91/527248991.db2.gz RARWCWOMKZVXIT-QGZVFWFLSA-N 1 0 312.461 3.197 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000415585546 527258538 /nfs/dbraw/zinc/25/85/38/527258538.db2.gz UPSIAIAETOEDCB-INIZCTEOSA-N 1 0 301.434 3.397 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[NH2+]CC1 ZINC000415575130 527259109 /nfs/dbraw/zinc/25/91/09/527259109.db2.gz DWBVAPMTDMJFBL-UHFFFAOYSA-N 1 0 301.434 3.366 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000415578314 527259540 /nfs/dbraw/zinc/25/95/40/527259540.db2.gz IIZRAEUDKLTHQQ-CQSZACIVSA-N 1 0 301.434 3.351 10 30 DGEERO C=CCCC[C@H](C)[N@H+](C)CCn1cc(Br)cn1 ZINC000344227712 527274106 /nfs/dbraw/zinc/27/41/06/527274106.db2.gz PKGXRKLMIRRPDA-LBPRGKRZSA-N 1 0 300.244 3.322 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000340757139 527274470 /nfs/dbraw/zinc/27/44/70/527274470.db2.gz XNDSNAVPYHIOEL-HNNXBMFYSA-N 1 0 304.409 3.328 10 30 DGEERO C#C[C@H](NC(=[NH2+])NC1CCCCC1)c1ccc(Cl)cc1F ZINC000262673690 527314254 /nfs/dbraw/zinc/31/42/54/527314254.db2.gz SHJTTYIOBAEKBQ-HNNXBMFYSA-N 1 0 307.800 3.390 10 30 DGEERO C=CCC[N@@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000343703082 527322949 /nfs/dbraw/zinc/32/29/49/527322949.db2.gz ZGLJRGWTJDORLS-UHFFFAOYSA-N 1 0 315.417 3.241 10 30 DGEERO C=CCCOCCCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000342866431 527329333 /nfs/dbraw/zinc/32/93/33/527329333.db2.gz JFIBCBFQWUFZTI-UHFFFAOYSA-N 1 0 322.493 3.084 10 30 DGEERO C=CCC[C@@H](CCC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184948160 527426567 /nfs/dbraw/zinc/42/65/67/527426567.db2.gz WNOSQQCOZRBPRH-MRXNPFEDSA-N 1 0 321.440 3.282 10 30 DGEERO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000444594691 527461460 /nfs/dbraw/zinc/46/14/60/527461460.db2.gz MNZYLMIQACHMBP-UHFFFAOYSA-N 1 0 305.466 3.041 10 30 DGEERO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000135654770 527572134 /nfs/dbraw/zinc/57/21/34/527572134.db2.gz AYEBZEPXHQIAJQ-JFIYKMOQSA-N 1 0 300.446 3.287 10 30 DGEERO C=C[C@H](CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000126460599 527577520 /nfs/dbraw/zinc/57/75/20/527577520.db2.gz MRVUILWTQLCPQT-JZXOWHBKSA-N 1 0 300.446 3.191 10 30 DGEERO CCC[NH+](CCC)CCCNC(=O)NCC1CCC(C#N)CC1 ZINC000440993290 528057320 /nfs/dbraw/zinc/05/73/20/528057320.db2.gz SONHTNYFLBLYET-UHFFFAOYSA-N 1 0 322.497 3.128 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000305184163 546443523 /nfs/dbraw/zinc/44/35/23/546443523.db2.gz SVZFWCKCKOYNFX-HXUWFJFHSA-N 1 0 309.409 3.175 10 30 DGEERO C=CCCOCCNc1[nH+]ccc2cc(OC)c(OC)cc21 ZINC000318568336 546463199 /nfs/dbraw/zinc/46/31/99/546463199.db2.gz BBUALETXWBUSJI-UHFFFAOYSA-N 1 0 302.374 3.257 10 30 DGEERO Cc1nc(C2(NC(=O)CC[N@H+]3CCCC[C@H]3C)CCCC2)no1 ZINC000328802486 546481532 /nfs/dbraw/zinc/48/15/32/546481532.db2.gz ZXZMZIADBSENQK-CYBMUJFWSA-N 1 0 320.437 3.368 10 30 DGEERO C#CCN(C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)C1CCCCC1 ZINC000730912247 574538356 /nfs/dbraw/zinc/53/83/56/574538356.db2.gz QPLQVOBAAOHXEW-IRXDYDNUSA-N 1 0 319.493 3.227 10 30 DGEERO C#CCCOc1ccc(C[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000733328315 574616230 /nfs/dbraw/zinc/61/62/30/574616230.db2.gz QSUYGMIDFVJGAY-ROUUACIJSA-N 1 0 314.473 3.441 10 30 DGEERO C#CCCOc1ccc(C[NH2+]CCN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000733328311 574616445 /nfs/dbraw/zinc/61/64/45/574616445.db2.gz QSUYGMIDFVJGAY-HDICACEKSA-N 1 0 314.473 3.441 10 30 DGEERO C#CCCNC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000733656989 574633430 /nfs/dbraw/zinc/63/34/30/574633430.db2.gz DQTDYNUGMCIYPC-INIZCTEOSA-N 1 0 315.461 3.219 10 30 DGEERO C=CCCC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000735902269 574721522 /nfs/dbraw/zinc/72/15/22/574721522.db2.gz DHKHRWYYYFAOHK-MAUKXSAKSA-N 1 0 303.402 3.197 10 30 DGEERO CC[NH+](CC)CC1CCN(c2snc(Cl)c2C#N)CC1 ZINC000742392994 574996188 /nfs/dbraw/zinc/99/61/88/574996188.db2.gz BEVGWIGQYAABPU-UHFFFAOYSA-N 1 0 312.870 3.226 10 30 DGEERO C#CCCNc1c(C)c(C)[nH+]c2ccc(Br)cc21 ZINC000742405595 575840911 /nfs/dbraw/zinc/84/09/11/575840911.db2.gz KMYUHVICUGDJSN-UHFFFAOYSA-N 1 0 303.203 3.471 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccccc2Cn2cccn2)c1 ZINC000104158646 617962974 /nfs/dbraw/zinc/96/29/74/617962974.db2.gz NJTSUDOJYMFIDF-UHFFFAOYSA-N 1 0 319.412 3.167 10 30 DGEERO Cc1cccc(C)c1CCNC(=[NH2+])NCCc1cccs1 ZINC000153442880 620565049 /nfs/dbraw/zinc/56/50/49/620565049.db2.gz QDAPTKQJNTUTEQ-UHFFFAOYSA-N 1 0 301.459 3.054 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000121338723 621268157 /nfs/dbraw/zinc/26/81/57/621268157.db2.gz XKBUTYNFFAXBQD-GJZGRUSLSA-N 1 0 305.393 3.206 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1 ZINC000130331759 625838815 /nfs/dbraw/zinc/83/88/15/625838815.db2.gz ZXKUHOVCIPRSSA-PBHICJAKSA-N 1 0 301.386 3.446 10 30 DGEERO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)[C@H]2C)o1 ZINC000886078120 627100017 /nfs/dbraw/zinc/10/00/17/627100017.db2.gz LZEVYWRUVASQCW-NHYWBVRUSA-N 1 0 314.364 3.157 10 30 DGEERO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702332738 660721394 /nfs/dbraw/zinc/72/13/94/660721394.db2.gz VMBNEJMGBAOQSX-PZJWPPBQSA-N 1 0 324.468 3.161 10 30 DGEERO C[C@](O)(C[NH2+][C@H]1CCCC(F)(F)C1)C(F)(F)C(F)(F)F ZINC000724107329 655742101 /nfs/dbraw/zinc/74/21/01/655742101.db2.gz ZQUQXUGFAYBLEA-YUMQZZPRSA-N 1 0 311.241 3.103 10 30 DGEERO C#CCCOc1ccc(C[NH2+]C[C@@](C)(O)CCC(C)C)cc1 ZINC000236630109 655748152 /nfs/dbraw/zinc/74/81/52/655748152.db2.gz NHEOVCRMJJPSRI-IBGZPJMESA-N 1 0 303.446 3.366 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2ccnc(-n3ccnc3)c2)cc1 ZINC000236683808 655748308 /nfs/dbraw/zinc/74/83/08/655748308.db2.gz FLKNISSPVJUTHA-UHFFFAOYSA-N 1 0 320.396 3.122 10 30 DGEERO CCC1([NH3+])CCN(c2cccc(Br)c2C#N)CC1 ZINC000714753237 661203545 /nfs/dbraw/zinc/20/35/45/661203545.db2.gz XMVCXWSUMQEVPN-UHFFFAOYSA-N 1 0 308.223 3.028 10 30 DGEERO CC(C)(C)OC(=O)NC1CC(C[NH2+]CC(C)(C)CCC#N)C1 ZINC000715065829 661207740 /nfs/dbraw/zinc/20/77/40/661207740.db2.gz BEXXOIBPFLRLSW-UHFFFAOYSA-N 1 0 309.454 3.209 10 30 DGEERO C#C[C@H](CC)[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000229899306 655961874 /nfs/dbraw/zinc/96/18/74/655961874.db2.gz TZKSLNOUEIRJPO-MRXNPFEDSA-N 1 0 314.429 3.486 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000179045900 657453286 /nfs/dbraw/zinc/45/32/86/657453286.db2.gz MOKJLLXSMDYYBW-SFTDATJTSA-N 1 0 320.436 3.234 10 30 DGEERO [NH2+]=C(NCCc1ccc(C(F)(F)F)cc1)NC1CCCCC1 ZINC000303716563 657557832 /nfs/dbraw/zinc/55/78/32/657557832.db2.gz SSQHLUNZJDMOLP-UHFFFAOYSA-N 1 0 313.367 3.485 10 30 DGEERO C[C@H](OCCCNC(=[NH2+])NC1CCCCC1)c1ccccc1 ZINC000303792236 657565136 /nfs/dbraw/zinc/56/51/36/657565136.db2.gz YIABLUNRKPTDKI-HNNXBMFYSA-N 1 0 303.450 3.391 10 30 DGEERO COc1ccc(NC(=[NH2+])NCCCCSC)cc1Cl ZINC000304739632 657645588 /nfs/dbraw/zinc/64/55/88/657645588.db2.gz BISRXFAPJWWKPS-UHFFFAOYSA-N 1 0 301.843 3.218 10 30 DGEERO CC(C)(C)c1csc(CNC(=[NH2+])NCCc2cccs2)n1 ZINC000304760198 657648931 /nfs/dbraw/zinc/64/89/31/657648931.db2.gz SCUOZHWENHSKRY-UHFFFAOYSA-N 1 0 322.503 3.149 10 30 DGEERO [NH2+]=C(NC[C@@H]1SCCc2ccccc21)NC1CCCCC1 ZINC000262509067 657649715 /nfs/dbraw/zinc/64/97/15/657649715.db2.gz CIAFGNCWFUOELO-INIZCTEOSA-N 1 0 303.475 3.254 10 30 DGEERO Cc1cccc2[nH]c(CNC(=[NH+]Cc3ccccc3)N(C)C)nc21 ZINC000305686380 657909611 /nfs/dbraw/zinc/90/96/11/657909611.db2.gz AJALWVWXYYERBX-UHFFFAOYSA-N 1 0 321.428 3.079 10 30 DGEERO C[NH+]=C(NC1CCC1)N(C)Cc1ccc(Br)cc1 ZINC000262788427 658031876 /nfs/dbraw/zinc/03/18/76/658031876.db2.gz NHBBZPYRBOZCPF-UHFFFAOYSA-N 1 0 310.239 3.009 10 30 DGEERO C#CC[N@@H+](Cc1cc(=O)oc2cc(OC)ccc12)C1CCCC1 ZINC000155753890 658846499 /nfs/dbraw/zinc/84/64/99/658846499.db2.gz IAKOCODHAZBVCZ-UHFFFAOYSA-N 1 0 311.381 3.179 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000446844936 660063951 /nfs/dbraw/zinc/06/39/51/660063951.db2.gz WOMWZSXZOKUOTF-QGZVFWFLSA-N 1 0 311.429 3.365 10 30 DGEERO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000048880162 661896907 /nfs/dbraw/zinc/89/69/07/661896907.db2.gz JSHMWVBHKWDQRB-KRWDZBQOSA-N 1 0 300.789 3.377 10 30 DGEERO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000189547737 661981272 /nfs/dbraw/zinc/98/12/72/661981272.db2.gz GXGDLABQEQYHGU-ZIAGYGMSSA-N 1 0 311.385 3.232 10 30 DGEERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000088726960 662233969 /nfs/dbraw/zinc/23/39/69/662233969.db2.gz FWOUREALCBAIKV-NQIIRXRSSA-N 1 0 304.437 3.148 10 30 DGEERO C#CCOc1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1 ZINC000092223229 662328530 /nfs/dbraw/zinc/32/85/30/662328530.db2.gz OJJSQKDKTVYMPV-UHFFFAOYSA-N 1 0 301.430 3.336 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@@H]1C ZINC000385053732 685172630 /nfs/dbraw/zinc/17/26/30/685172630.db2.gz DDRVJWDGCOTMQD-FZMZJTMJSA-N 1 0 308.219 3.349 10 30 DGEERO C=CCc1cc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc(OC)c1O ZINC000128838909 1176098227 /nfs/dbraw/zinc/09/82/27/1176098227.db2.gz IURIAGQZDRITSY-STQMWFEESA-N 1 0 305.418 3.175 10 30 DGEERO C=CCSCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399094968 1176255038 /nfs/dbraw/zinc/25/50/38/1176255038.db2.gz XYNXQAKKWDSSJU-ZIAGYGMSSA-N 1 0 314.495 3.283 10 30 DGEERO C[C@H]1C[C@@H](C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC[N@@H+]1C ZINC000329576808 1177024025 /nfs/dbraw/zinc/02/40/25/1177024025.db2.gz OJUVGFUMMSXRDY-QEJZJMRPSA-N 1 0 315.417 3.449 10 30 DGEERO C=C(C)CC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429116736 1199822926 /nfs/dbraw/zinc/82/29/26/1199822926.db2.gz RXSFGDNZPDBUHC-JKSUJKDBSA-N 1 0 307.821 3.495 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)cc(OC)c1O ZINC000119787350 1200118972 /nfs/dbraw/zinc/11/89/72/1200118972.db2.gz FUZCVSKVGFYJTP-HOTGVXAUSA-N 1 0 305.418 3.177 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H](CO)CC(C)(C)C)cc(OC)c1O ZINC000121324697 1200209010 /nfs/dbraw/zinc/20/90/10/1200209010.db2.gz HFLCWYHUSCYVBM-OAHLLOKOSA-N 1 0 307.434 3.016 10 30 DGEERO CC[NH+](CC)[C@@H]1CCN(c2cc(Br)ccc2C#N)C1 ZINC000123262725 1200275758 /nfs/dbraw/zinc/27/57/58/1200275758.db2.gz BWLBRSSKCVIYRY-CQSZACIVSA-N 1 0 322.250 3.241 10 30 DGEERO CC(C)(C)[NH+]1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123144164 1200275260 /nfs/dbraw/zinc/27/52/60/1200275260.db2.gz TYLZYUFMWSKSFK-UHFFFAOYSA-N 1 0 322.250 3.241 10 30 DGEERO CN(CC1CC[NH+](C)CC1)c1cc(Br)ccc1C#N ZINC000123265936 1200277972 /nfs/dbraw/zinc/27/79/72/1200277972.db2.gz KOGUXZWAKDXILJ-UHFFFAOYSA-N 1 0 322.250 3.099 10 30 DGEERO CCC[N@H+](CC)CCNc1cc(Br)ccc1C#N ZINC000218054605 1202544727 /nfs/dbraw/zinc/54/47/27/1202544727.db2.gz IWOAGJHCBDXBKB-UHFFFAOYSA-N 1 0 310.239 3.465 10 30 DGEERO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C(C)C ZINC000236705117 1202621899 /nfs/dbraw/zinc/62/18/99/1202621899.db2.gz GHGVMDCDXXIVHH-LJQANCHMSA-N 1 0 312.461 3.351 10 30 DGEERO C=CCOc1ccc(CNC2CC[NH+](C(C)C)CC2)cc1OC ZINC000237110951 1202647751 /nfs/dbraw/zinc/64/77/51/1202647751.db2.gz DLJYZVZFGJODKJ-UHFFFAOYSA-N 1 0 318.461 3.222 10 30 DGEERO CC#CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000400928083 1093925915 /nfs/dbraw/zinc/92/59/15/1093925915.db2.gz NAYGNZRCOUIQFQ-HRCADAONSA-N 1 0 306.450 3.025 10 30 DGEERO C#C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)C(C)C ZINC000405339534 1094341296 /nfs/dbraw/zinc/34/12/96/1094341296.db2.gz HHAKBCQJBMANFD-RRFJBIMHSA-N 1 0 306.450 3.070 10 30 DGEERO C[NH+](C)CC[C@H]1CCN(c2ccc(C#N)c(Br)c2)C1 ZINC000701525253 1108954366 /nfs/dbraw/zinc/95/43/66/1108954366.db2.gz RKSFAWMJGJKJMP-LBPRGKRZSA-N 1 0 322.250 3.099 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160002966 529760708 /nfs/dbraw/zinc/76/07/08/529760708.db2.gz HGCWISOXSICKQQ-GOSISDBHSA-N 1 0 311.404 3.273 10 30 DGEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cc(OC)ccn1 ZINC000129716726 432008883 /nfs/dbraw/zinc/00/88/83/432008883.db2.gz QKVKMKONWFDMHU-UHFFFAOYSA-N 1 0 313.357 3.187 10 30 DGEERO CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cccs1 ZINC000442791159 530061032 /nfs/dbraw/zinc/06/10/32/530061032.db2.gz NEMNLSZDAZZJOG-KLZNWCGWSA-N 1 0 303.475 3.413 10 30 DGEERO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1 ZINC000065987103 432013597 /nfs/dbraw/zinc/01/35/97/432013597.db2.gz YHDNOKUGRVTSRK-UHFFFAOYSA-N 1 0 322.412 3.154 10 30 DGEERO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152496385 186079218 /nfs/dbraw/zinc/07/92/18/186079218.db2.gz VCNUXZFLCCCWOF-ZFWWWQNUSA-N 1 0 322.836 3.089 10 30 DGEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000189964410 186256242 /nfs/dbraw/zinc/25/62/42/186256242.db2.gz DEXQGYPYZAAZDF-PBHICJAKSA-N 1 0 321.428 3.425 10 30 DGEERO C=CCC[C@@H](C[NH+]1CCSCC1)Oc1cc(CC)nc(C)n1 ZINC000072475997 191177084 /nfs/dbraw/zinc/17/70/84/191177084.db2.gz IYMSDOFXBAGMQM-INIZCTEOSA-N 1 0 321.490 3.110 10 30 DGEERO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc2c(c1)OCCO2 ZINC000174247486 198309847 /nfs/dbraw/zinc/30/98/47/198309847.db2.gz KGEYKWRYLJBGPE-GOSISDBHSA-N 1 0 312.369 3.409 10 30 DGEERO N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2Cc2ccccc2)o1 ZINC000174322045 198318856 /nfs/dbraw/zinc/31/88/56/198318856.db2.gz YGUCCPPZWKGKPA-QGZVFWFLSA-N 1 0 309.413 3.296 10 30 DGEERO COc1ccc(C[NH2+][C@@H](C)COCc2ccccc2)cc1C#N ZINC000174619581 198360699 /nfs/dbraw/zinc/36/06/99/198360699.db2.gz UWGRHUNHWWYXDK-HNNXBMFYSA-N 1 0 310.397 3.262 10 30 DGEERO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194100 283057961 /nfs/dbraw/zinc/05/79/61/283057961.db2.gz RDRFENQUSOBWLJ-IJLUTSLNSA-N 1 0 312.339 3.300 10 30 DGEERO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194098 283058219 /nfs/dbraw/zinc/05/82/19/283058219.db2.gz RDRFENQUSOBWLJ-GRYCIOLGSA-N 1 0 312.339 3.300 10 30 DGEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C(F)(F)F ZINC000262302502 283170932 /nfs/dbraw/zinc/17/09/32/283170932.db2.gz OSOPJSCKBYBYSQ-NJZAAPMLSA-N 1 0 309.335 3.141 10 30 DGEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cccc(Br)c1C#N ZINC000168567701 432068809 /nfs/dbraw/zinc/06/88/09/432068809.db2.gz IPMULNUKSUQUHD-GFCCVEGCSA-N 1 0 322.250 3.241 10 30 DGEERO Cc1cccc(OCC[N@@H+](C)Cc2cnc3ccc(C#N)cn23)c1 ZINC000179771954 432070583 /nfs/dbraw/zinc/07/05/83/432070583.db2.gz HRJSKVKGXQTPKH-UHFFFAOYSA-N 1 0 320.396 3.025 10 30 DGEERO C[N@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)nc1 ZINC000170988317 432092816 /nfs/dbraw/zinc/09/28/16/432092816.db2.gz OKDCVDWCBRSJBU-UHFFFAOYSA-N 1 0 301.777 3.117 10 30 DGEERO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442868714 239142699 /nfs/dbraw/zinc/14/26/99/239142699.db2.gz REUSMAVAWQECMO-KLAILNCOSA-N 1 0 313.445 3.348 10 30 DGEERO CCCCOC[C@@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195160295 201348946 /nfs/dbraw/zinc/34/89/46/201348946.db2.gz RINAPKVOCJXDGZ-YJBOKZPZSA-N 1 0 304.434 3.119 10 30 DGEERO CC(C)n1cc(C2=CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000449476218 240231064 /nfs/dbraw/zinc/23/10/64/240231064.db2.gz ZLXZRHLFRFYQJV-UHFFFAOYSA-N 1 0 321.428 3.410 10 30 DGEERO C=CCC[C@H](O)C[N@@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472763482 244314932 /nfs/dbraw/zinc/31/49/32/244314932.db2.gz ARHLQLBOPXTQBQ-SXLOBPIMSA-N 1 0 316.489 3.471 10 30 DGEERO C[C@H]1CCN(Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093811129 193311523 /nfs/dbraw/zinc/31/15/23/193311523.db2.gz VRRWRZPBFIYCON-INIZCTEOSA-N 1 0 309.413 3.248 10 30 DGEERO COC(=O)[C@H](c1ccccc1Cl)[N+]1=Cc2ccsc2CC1 ZINC000065739341 284304837 /nfs/dbraw/zinc/30/48/37/284304837.db2.gz MGLOAEFTRZPJLT-HNNXBMFYSA-N 1 0 320.821 3.303 10 30 in-vitro DGEERO C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(C#N)s1 ZINC000181474611 432130844 /nfs/dbraw/zinc/13/08/44/432130844.db2.gz XASPGSMEBYFLNI-LBPRGKRZSA-N 1 0 309.398 3.051 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000494068172 246110213 /nfs/dbraw/zinc/11/02/13/246110213.db2.gz FLSFAWDLPAEBBC-UHFFFAOYSA-N 1 0 301.459 3.345 10 30 DGEERO C[C@@H]([NH3+])Cc1cc(Br)ccc1OCCCCC#N ZINC000049579137 183743906 /nfs/dbraw/zinc/74/39/06/183743906.db2.gz UTCYTHYMFSYGCM-LLVKDONJSA-N 1 0 311.223 3.411 10 30 DGEERO Cc1cc(C#N)cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342847045 254064960 /nfs/dbraw/zinc/06/49/60/254064960.db2.gz GOPWYIAZNCTMBL-KSSFIOAISA-N 1 0 306.413 3.194 10 30 DGEERO COc1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1C#N ZINC000157326684 197180071 /nfs/dbraw/zinc/18/00/71/197180071.db2.gz WHUYUJAXQYWTPV-UHFFFAOYSA-N 1 0 301.415 3.006 10 30 DGEERO COc1cccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181514916 533467017 /nfs/dbraw/zinc/46/70/17/533467017.db2.gz JWCFKQXFIJFTRP-OAHLLOKOSA-N 1 0 310.397 3.491 10 30 DGEERO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H](C#N)C3)C2)c1 ZINC000185808904 533584584 /nfs/dbraw/zinc/58/45/84/533584584.db2.gz IZFFPPVIWMQVDB-GVDBMIGSSA-N 1 0 313.445 3.193 10 30 DGEERO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000609625801 400182575 /nfs/dbraw/zinc/18/25/75/400182575.db2.gz CIIIUAOFQLZEEJ-NZSAHSFTSA-N 1 0 317.477 3.252 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000617042507 400290931 /nfs/dbraw/zinc/29/09/31/400290931.db2.gz SFWCCXUTAYOMCP-PBHICJAKSA-N 1 0 301.434 3.008 10 30 DGEERO C[C@H](NCc1csc(-c2cnn(C)c2)n1)c1ccc(C#N)cc1 ZINC000611381643 400387629 /nfs/dbraw/zinc/38/76/29/400387629.db2.gz WGBLPMDISIUUFU-LBPRGKRZSA-N 1 0 323.425 3.266 10 30 DGEERO C=CCN1CC[C@H]([N@H+](C)CCc2ccc(C(C)(C)C)cc2)C1=O ZINC000580984155 400349484 /nfs/dbraw/zinc/34/94/84/400349484.db2.gz IRRYUZFUVJNXSC-SFHVURJKSA-N 1 0 314.473 3.245 10 30 DGEERO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000070786492 400356955 /nfs/dbraw/zinc/35/69/55/400356955.db2.gz DCTNHDFWKSPJJZ-HUUCEWRRSA-N 1 0 301.434 3.221 10 30 DGEERO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1F ZINC000611589271 400427749 /nfs/dbraw/zinc/42/77/49/400427749.db2.gz WANSITKRKBWAQX-YTEVENLXSA-N 1 0 316.401 3.286 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000125380161 400482194 /nfs/dbraw/zinc/48/21/94/400482194.db2.gz WPVWYNJOCZSCRB-GOSISDBHSA-N 1 0 315.461 3.259 10 30 DGEERO C=CC(C)(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602720983 400550726 /nfs/dbraw/zinc/55/07/26/400550726.db2.gz NQPWQFHCMRCPKF-UHFFFAOYSA-N 1 0 318.421 3.151 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000602903860 400601885 /nfs/dbraw/zinc/60/18/85/400601885.db2.gz UNZREHQMSFYNEH-HLLBOEOZSA-N 1 0 301.386 3.092 10 30 DGEERO C=CCC[C@@H](CC)[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592395008 400644917 /nfs/dbraw/zinc/64/49/17/400644917.db2.gz TUMHJKORBQPXGV-OAHLLOKOSA-N 1 0 311.466 3.459 10 30 DGEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000076574490 400662016 /nfs/dbraw/zinc/66/20/16/400662016.db2.gz FOMHADWWZOFUKW-JKSUJKDBSA-N 1 0 315.461 3.469 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000077176951 400692425 /nfs/dbraw/zinc/69/24/25/400692425.db2.gz ZHOLATGHSMOXAI-UHFFFAOYSA-N 1 0 306.475 3.265 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000154322387 400693467 /nfs/dbraw/zinc/69/34/67/400693467.db2.gz DPJYYEAXNIAOSJ-MRXNPFEDSA-N 1 0 315.461 3.298 10 30 DGEERO CCCCN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C\c1cccnc1 ZINC000166299739 400753384 /nfs/dbraw/zinc/75/33/84/400753384.db2.gz DCHHBYQJGXSYKG-CYBMUJFWSA-N 1 0 324.495 3.141 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000078533518 400807935 /nfs/dbraw/zinc/80/79/35/400807935.db2.gz VEBPVQGCLZKZSW-UHFFFAOYSA-N 1 0 319.424 3.008 10 30 DGEERO C=CCCCN(C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000605878290 400886801 /nfs/dbraw/zinc/88/68/01/400886801.db2.gz IPXNNMPGSPNEKC-IYBDPMFKSA-N 1 0 309.498 3.351 10 30 DGEERO COc1ccc(NC2CC[NH+](C)CC2)cc1C#C[Si](C)(C)C ZINC000218124578 400951067 /nfs/dbraw/zinc/95/10/67/400951067.db2.gz INICRHHUNJSTIY-UHFFFAOYSA-N 1 0 316.521 3.430 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccncc1CC)C(C)C ZINC000182510624 400893462 /nfs/dbraw/zinc/89/34/62/400893462.db2.gz LMDHLRWYDUYWSJ-GOSISDBHSA-N 1 0 315.461 3.072 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000184288005 400902923 /nfs/dbraw/zinc/90/29/23/400902923.db2.gz PYVWXRMDSDRTPW-GOSISDBHSA-N 1 0 315.388 3.431 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000184286069 400903114 /nfs/dbraw/zinc/90/31/14/400903114.db2.gz JTXHNEHHJZTLOY-QGZVFWFLSA-N 1 0 315.388 3.431 10 30 DGEERO CC#CC[C@H]([NH3+])c1cc(Cl)ccc1I ZINC000232563774 400971568 /nfs/dbraw/zinc/97/15/68/400971568.db2.gz XZQRBZLKBAGUKG-NSHDSACASA-N 1 0 319.573 3.358 10 30 DGEERO C#CCC[C@@H]([NH3+])c1ccc(I)c(Cl)c1 ZINC000232359998 400972142 /nfs/dbraw/zinc/97/21/42/400972142.db2.gz BDQQFNITLHBTEK-LLVKDONJSA-N 1 0 319.573 3.358 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(CC)C2)ccc1OC ZINC000057966294 401039805 /nfs/dbraw/zinc/03/98/05/401039805.db2.gz XQPQSGDBHSFWTK-KRWDZBQOSA-N 1 0 318.461 3.224 10 30 DGEERO C=C[C@](C)(CCOC)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633958210 401162415 /nfs/dbraw/zinc/16/24/15/401162415.db2.gz RWVUDCUSPABJMA-GOSISDBHSA-N 1 0 322.493 3.082 10 30 DGEERO C=C(C)CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796209 401221530 /nfs/dbraw/zinc/22/15/30/401221530.db2.gz ILLFGDFPZIHLBT-MRXNPFEDSA-N 1 0 324.262 3.225 10 30 DGEERO C=CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625698655 401184390 /nfs/dbraw/zinc/18/43/90/401184390.db2.gz UWYBPJANWVZBPM-AYOQOUSVSA-N 1 0 312.457 3.225 10 30 DGEERO C=CC[C@H]1CCN(Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000625701818 401185345 /nfs/dbraw/zinc/18/53/45/401185345.db2.gz SWGAIFVKZDQQBV-ZDUSSCGKSA-N 1 0 305.447 3.056 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000625703803 401188362 /nfs/dbraw/zinc/18/83/62/401188362.db2.gz SSKUUQYWBGCCSB-GFCCVEGCSA-N 1 0 302.447 3.288 10 30 DGEERO C=CCC1([NH2+]CC(=O)Nc2nc3c(s2)CCC3)CCCCC1 ZINC000625935257 401259192 /nfs/dbraw/zinc/25/91/92/401259192.db2.gz SKZQPVQCFAHIMW-UHFFFAOYSA-N 1 0 319.474 3.439 10 30 DGEERO N#Cc1cccnc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065201897 401259513 /nfs/dbraw/zinc/25/95/13/401259513.db2.gz XWYAMHUNDCQSNW-SFHVURJKSA-N 1 0 306.413 3.420 10 30 DGEERO C=C[C@@H](CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634763993 401346859 /nfs/dbraw/zinc/34/68/59/401346859.db2.gz IWMAODBKZNIRTP-RDJZCZTQSA-N 1 0 300.446 3.241 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000630885702 401346969 /nfs/dbraw/zinc/34/69/69/401346969.db2.gz TWNANFJMUCMKPB-OAHLLOKOSA-N 1 0 302.418 3.197 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)CCc2ccc(C(F)F)cc2)CC1 ZINC000630943098 401357711 /nfs/dbraw/zinc/35/77/11/401357711.db2.gz NRFINFJZXJXQDJ-UHFFFAOYSA-N 1 0 322.399 3.323 10 30 DGEERO C=CCC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccccc1 ZINC000634971953 401392568 /nfs/dbraw/zinc/39/25/68/401392568.db2.gz KFTSWXWJLLBHER-DLBZAZTESA-N 1 0 307.459 3.251 10 30 DGEERO C=C(C)[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1CC)c1ccc(F)c(F)c1 ZINC000627016143 401432071 /nfs/dbraw/zinc/43/20/71/401432071.db2.gz HTQPJWCGCSPUBX-XHSDSOJGSA-N 1 0 323.387 3.022 10 30 DGEERO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccnc(N3CCSCC3)c2)C1 ZINC000631241399 401435278 /nfs/dbraw/zinc/43/52/78/401435278.db2.gz UYBCPVHBSULXLG-RDJZCZTQSA-N 1 0 317.502 3.469 10 30 DGEERO C=CC(C)(C)CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000627093325 401441799 /nfs/dbraw/zinc/44/17/99/401441799.db2.gz JNEUBTFPIHDTJP-MRXNPFEDSA-N 1 0 303.450 3.368 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1OC ZINC000631301342 401448483 /nfs/dbraw/zinc/44/84/83/401448483.db2.gz PZHWOIZTTIJKLL-OAHLLOKOSA-N 1 0 313.401 3.081 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000623466173 401524139 /nfs/dbraw/zinc/52/41/39/401524139.db2.gz UQLYUSINLWYAED-IAGOWNOFSA-N 1 0 307.482 3.249 10 30 DGEERO C=CCOCC[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623487656 401530000 /nfs/dbraw/zinc/53/00/00/401530000.db2.gz LRDXGQRILMQCDV-UHFFFAOYSA-N 1 0 307.287 3.059 10 30 DGEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000623512650 401536503 /nfs/dbraw/zinc/53/65/03/401536503.db2.gz PJZUIQLKKWRVCI-HNAYVOBHSA-N 1 0 317.429 3.307 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000623342922 401494968 /nfs/dbraw/zinc/49/49/68/401494968.db2.gz VJIWTKYDZRCALX-HZPDHXFCSA-N 1 0 317.433 3.024 10 30 DGEERO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000628316883 401574964 /nfs/dbraw/zinc/57/49/64/401574964.db2.gz MWPQDRJHUVVRTA-QGZVFWFLSA-N 1 0 315.461 3.012 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000623601656 401553902 /nfs/dbraw/zinc/55/39/02/401553902.db2.gz LVABUXWIBRJXPN-IBGZPJMESA-N 1 0 309.409 3.483 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623959115 401605474 /nfs/dbraw/zinc/60/54/74/401605474.db2.gz HPGQWKAPJVIOBB-ONGXEEELSA-N 1 0 322.758 3.211 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000628486112 401606865 /nfs/dbraw/zinc/60/68/65/401606865.db2.gz AWZSSHPEJYCXFT-MJGOQNOKSA-N 1 0 312.457 3.323 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000633043613 401646690 /nfs/dbraw/zinc/64/66/90/401646690.db2.gz QFYJAIPMWUOHCH-OAHLLOKOSA-N 1 0 320.864 3.458 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624544321 401670155 /nfs/dbraw/zinc/67/01/55/401670155.db2.gz MLHFAPCXDFGVOU-DOTOQJQBSA-N 1 0 305.466 3.001 10 30 DGEERO N#Cc1ccc([C@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186151232 165029218 /nfs/dbraw/zinc/02/92/18/165029218.db2.gz VYBBNBGYGXUGBV-LJQANCHMSA-N 1 0 304.393 3.139 10 30 DGEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000190040401 165188048 /nfs/dbraw/zinc/18/80/48/165188048.db2.gz GIVGHZQFVRKYFY-XWIAVFTESA-N 1 0 312.438 3.389 10 30 DGEERO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195358659 165366952 /nfs/dbraw/zinc/36/69/52/165366952.db2.gz YICIHGZEVBJYGU-OAHLLOKOSA-N 1 0 313.426 3.273 10 30 DGEERO N#Cc1ccc(OCC[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195354364 165367965 /nfs/dbraw/zinc/36/79/65/165367965.db2.gz YOOJUQQVEFQISN-HNNXBMFYSA-N 1 0 313.426 3.273 10 30 DGEERO Fc1ccc(C#CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246963975 432184908 /nfs/dbraw/zinc/18/49/08/432184908.db2.gz VBDXVRCSYVBSCH-PXNSSMCTSA-N 1 0 312.432 3.126 10 30 DGEERO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000182570162 432205055 /nfs/dbraw/zinc/20/50/55/432205055.db2.gz ZYCJJORTQOKBSO-ZDUSSCGKSA-N 1 0 300.358 3.198 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000126688129 545923993 /nfs/dbraw/zinc/92/39/93/545923993.db2.gz DSYLMEVQYAXYNL-GJZGRUSLSA-N 1 0 304.409 3.374 10 30 DGEERO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC000185794545 228396712 /nfs/dbraw/zinc/39/67/12/228396712.db2.gz KYWCFXDPBPDPCF-IAGOWNOFSA-N 1 0 311.429 3.375 10 30 DGEERO N#C[C@@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000342774691 229117213 /nfs/dbraw/zinc/11/72/13/229117213.db2.gz DVVYBBXJPLTZIS-FCFHUKJJSA-N 1 0 309.457 3.464 10 30 DGEERO N#Cc1cc(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)ccc1F ZINC000299753756 229399679 /nfs/dbraw/zinc/39/96/79/229399679.db2.gz ZFUIZGPHJOLNDX-INIZCTEOSA-N 1 0 324.403 3.220 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000376672857 229593328 /nfs/dbraw/zinc/59/33/28/229593328.db2.gz OZWZHVYPBIDTMH-DNVCBOLYSA-N 1 0 324.428 3.438 10 30 DGEERO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)s1 ZINC000135078330 269880979 /nfs/dbraw/zinc/88/09/79/269880979.db2.gz INIKKBFLYBYXJX-RYUDHWBXSA-N 1 0 316.405 3.083 10 30 DGEERO CC(C)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)[NH+]1CCCC1 ZINC000358559179 265885969 /nfs/dbraw/zinc/88/59/69/265885969.db2.gz OXIDIWUCEAMHHM-RDTXWAMCSA-N 1 0 303.425 3.468 10 30 DGEERO C=C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000270364158 432237178 /nfs/dbraw/zinc/23/71/78/432237178.db2.gz YJCSEQNDAPZHQK-UXDRXVOSSA-N 1 0 312.457 3.478 10 30 DGEERO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000358571698 267162668 /nfs/dbraw/zinc/16/26/68/267162668.db2.gz PITFLNSDIJAIRP-KFWWJZLASA-N 1 0 303.425 3.468 10 30 DGEERO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1cccc(C#N)c1 ZINC000531153835 268037269 /nfs/dbraw/zinc/03/72/69/268037269.db2.gz KFNJWTNLXMISKS-UHFFFAOYSA-N 1 0 307.397 3.110 10 30 DGEERO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1NC(C)=O ZINC000151388561 432242349 /nfs/dbraw/zinc/24/23/49/432242349.db2.gz HUHPFPKVTDWRBL-CYBMUJFWSA-N 1 0 323.396 3.376 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295440814 273486689 /nfs/dbraw/zinc/48/66/89/273486689.db2.gz PLFWTNXSDNBFFP-TVQRCGJNSA-N 1 0 314.198 3.102 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000424175238 273487650 /nfs/dbraw/zinc/48/76/50/273487650.db2.gz TXYJONFMUOKMTQ-ZFWWWQNUSA-N 1 0 310.319 3.258 10 30 DGEERO O[C@@]12CCCC[C@@H]1C[N@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000157185267 275056328 /nfs/dbraw/zinc/05/63/28/275056328.db2.gz YDGKDRVOZGEVNR-SJLPKXTDSA-N 1 0 303.833 3.319 10 30 DGEERO C#Cc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000290329928 275388005 /nfs/dbraw/zinc/38/80/05/275388005.db2.gz KGKYPGCRWGNESP-KRWDZBQOSA-N 1 0 301.455 3.202 10 30 DGEERO C=C(C)CC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000352423412 277766320 /nfs/dbraw/zinc/76/63/20/277766320.db2.gz XNEZKINDLIANLD-GDBMZVCRSA-N 1 0 310.800 3.307 10 30 DGEERO C=CCC1(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CCOCC1 ZINC000424653005 277825417 /nfs/dbraw/zinc/82/54/17/277825417.db2.gz GCQDWVDFJCXCEG-KRWDZBQOSA-N 1 0 324.509 3.232 10 30 DGEERO N#CC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000363476111 279475950 /nfs/dbraw/zinc/47/59/50/279475950.db2.gz SHGMEIAXLJBXIR-QGZVFWFLSA-N 1 0 317.477 3.185 10 30 DGEERO C=CC1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000111256302 431205731 /nfs/dbraw/zinc/20/57/31/431205731.db2.gz KLFMACJIFSNUFA-KRWDZBQOSA-N 1 0 309.837 3.116 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070742996 431259004 /nfs/dbraw/zinc/25/90/04/431259004.db2.gz LUOAPPLGHDSADS-NXEZZACHSA-N 1 0 301.217 3.335 10 30 DGEERO C=CCC[C@@H](C[N@@H+](C)Cc1cnccn1)Oc1ccnc(C)c1 ZINC000072481131 431335509 /nfs/dbraw/zinc/33/55/09/431335509.db2.gz PLBJBCITRJYZSZ-SFHVURJKSA-N 1 0 312.417 3.026 10 30 DGEERO N#Cc1ccc(OCCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114483698 431389763 /nfs/dbraw/zinc/38/97/63/431389763.db2.gz HPZRBLGQHZHASV-SFHVURJKSA-N 1 0 310.401 3.277 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000076734387 431561111 /nfs/dbraw/zinc/56/11/11/431561111.db2.gz PEJNRLVPFZJLMH-AWEZNQCLSA-N 1 0 318.417 3.007 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000078691256 431696729 /nfs/dbraw/zinc/69/67/29/431696729.db2.gz NJEBLHOUIDMLJR-ZIAGYGMSSA-N 1 0 320.408 3.074 10 30 DGEERO C=CCOc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000032448607 431779361 /nfs/dbraw/zinc/77/93/61/431779361.db2.gz NOSAEGHLDCGBGC-IBGZPJMESA-N 1 0 324.424 3.284 10 30 DGEERO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000123014758 431852775 /nfs/dbraw/zinc/85/27/75/431852775.db2.gz ROMXXRKEXKTKDV-WMZOPIPTSA-N 1 0 324.428 3.320 10 30 DGEERO Cc1ccc(NC(=O)c2ccc(C#N)cc2C)c(C[NH+](C)C)c1 ZINC000123068081 431853955 /nfs/dbraw/zinc/85/39/55/431853955.db2.gz CPFCAVQUPDWLMD-UHFFFAOYSA-N 1 0 307.397 3.489 10 30 DGEERO Cc1cccc(NC[C@@H]2CC[N@H+](CC(C)(C)CCC#N)C2)n1 ZINC000092813451 431911519 /nfs/dbraw/zinc/91/15/19/431911519.db2.gz JDWKMTCTYKRSOR-INIZCTEOSA-N 1 0 300.450 3.454 10 30 DGEERO C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)CCN1C ZINC000093644150 431916428 /nfs/dbraw/zinc/91/64/28/431916428.db2.gz DDVRKJJYBZJMKZ-FUHWJXTLSA-N 1 0 315.461 3.284 10 30 DGEERO C#CCOc1ccccc1C[N@H+](C)CCc1ncc(C)s1 ZINC000093807304 431916640 /nfs/dbraw/zinc/91/66/40/431916640.db2.gz AEDZXSPJQFTQOD-UHFFFAOYSA-N 1 0 300.427 3.138 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCC[C@H](NC(=O)CCC)C2)c1 ZINC000124269033 431887666 /nfs/dbraw/zinc/88/76/66/431887666.db2.gz VEWKNXXZMFJCQZ-KRWDZBQOSA-N 1 0 316.445 3.132 10 30 DGEERO C=C(C)COc1cc(C[NH2+]C[C@H]2CCCC[C@H]2O)ccc1OC ZINC000124267922 431887748 /nfs/dbraw/zinc/88/77/48/431887748.db2.gz DBQVIYXTLKYSPQ-IAGOWNOFSA-N 1 0 319.445 3.291 10 30 DGEERO COc1cc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)ccc1F ZINC000090106846 431889746 /nfs/dbraw/zinc/88/97/46/431889746.db2.gz MJMCKLPNBZUHFZ-CYBMUJFWSA-N 1 0 314.360 3.436 10 30 DGEERO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)c(F)c1 ZINC000090107673 431889847 /nfs/dbraw/zinc/88/98/47/431889847.db2.gz OEAWBQHOZRCCSE-CYBMUJFWSA-N 1 0 314.360 3.436 10 30 DGEERO COc1cccc(F)c1[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107037 431889881 /nfs/dbraw/zinc/88/98/81/431889881.db2.gz YEPZUTFKIGVNRF-CYBMUJFWSA-N 1 0 314.360 3.436 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128072230 431987461 /nfs/dbraw/zinc/98/74/61/431987461.db2.gz KSGJZOVJEYSEDQ-DLBZAZTESA-N 1 0 310.401 3.037 10 30 DGEERO C=C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248062664 432267009 /nfs/dbraw/zinc/26/70/09/432267009.db2.gz PIZMOBZUZVCDMW-NZSAHSFTSA-N 1 0 312.457 3.289 10 30 DGEERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192009049 432321162 /nfs/dbraw/zinc/32/11/62/432321162.db2.gz LWWHDYIVCXDFSU-QGZVFWFLSA-N 1 0 312.392 3.385 10 30 DGEERO C(#Cc1ccccc1)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000192061499 432328881 /nfs/dbraw/zinc/32/88/81/432328881.db2.gz ZSDYPERDNFMGJE-FQEVSTJZSA-N 1 0 313.441 3.088 10 30 DGEERO C(#Cc1ccccc1)C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000192134542 432335565 /nfs/dbraw/zinc/33/55/65/432335565.db2.gz YDOTZKIUXLOLKY-MSOLQXFVSA-N 1 0 301.455 3.025 10 30 DGEERO CC[N@H+](C[C@H](O)COC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000249739809 432355534 /nfs/dbraw/zinc/35/55/34/432355534.db2.gz HXKSBTCRYDBXBN-PBHICJAKSA-N 1 0 304.434 3.117 10 30 DGEERO CC(C)(CCC#N)C[NH2+]CCc1csc(N2CCCC2)n1 ZINC000174406733 432346264 /nfs/dbraw/zinc/34/62/64/432346264.db2.gz PZMJWXNCVSBOAG-UHFFFAOYSA-N 1 0 306.479 3.205 10 30 DGEERO Cc1ccc(N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)nc1 ZINC000174430844 432347207 /nfs/dbraw/zinc/34/72/07/432347207.db2.gz ZEDNNELFYPOYKP-UHFFFAOYSA-N 1 0 306.413 3.020 10 30 DGEERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(OCC#N)cc1 ZINC000248717734 432312190 /nfs/dbraw/zinc/31/21/90/432312190.db2.gz LADXDQLRWZOYCT-VIBAHUMZSA-N 1 0 312.413 3.197 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000253352034 432391062 /nfs/dbraw/zinc/39/10/62/432391062.db2.gz NGCUXZDYELRIPA-VBQJREDUSA-N 1 0 304.409 3.117 10 30 DGEERO Cc1ccc(O[C@@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000174593583 432358572 /nfs/dbraw/zinc/35/85/72/432358572.db2.gz YMIPMRIKCWIVAS-HNNXBMFYSA-N 1 0 320.396 3.072 10 30 DGEERO N#C[C@H]1CCC[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C1 ZINC000193332487 432466583 /nfs/dbraw/zinc/46/65/83/432466583.db2.gz NUDMPJAQPFPWPR-GOEBONIOSA-N 1 0 317.864 3.370 10 30 DGEERO CC[NH+](CC)C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177353177 432614994 /nfs/dbraw/zinc/61/49/94/432614994.db2.gz JKPOUFXZFDPXSH-KRWDZBQOSA-N 1 0 304.865 3.355 10 30 DGEERO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000186318021 432581186 /nfs/dbraw/zinc/58/11/86/432581186.db2.gz ITHVTQDDWGJDKQ-OAHLLOKOSA-N 1 0 317.396 3.298 10 30 DGEERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C12CCOCC2 ZINC000186367009 432587315 /nfs/dbraw/zinc/58/73/15/432587315.db2.gz LEYTYPODRYOOEA-BMGDILEWSA-N 1 0 314.429 3.183 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000273412464 432595239 /nfs/dbraw/zinc/59/52/39/432595239.db2.gz IAZYPYKOUJKWIP-YGRLFVJLSA-N 1 0 314.198 3.102 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2ccccc2C)CC1 ZINC000264355989 432638968 /nfs/dbraw/zinc/63/89/68/432638968.db2.gz NMDYTSDQGBPJAC-INIZCTEOSA-N 1 0 315.461 3.348 10 30 DGEERO CC(C)[N@H+](CCOc1ccccc1C#N)CCc1nccs1 ZINC000159886967 432699058 /nfs/dbraw/zinc/69/90/58/432699058.db2.gz DBQLLHBSMDXWSD-UHFFFAOYSA-N 1 0 315.442 3.347 10 30 DGEERO C=C(C)CC[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000274766864 432706431 /nfs/dbraw/zinc/70/64/31/432706431.db2.gz GKMVPOMIPUJYKK-OAHLLOKOSA-N 1 0 323.506 3.324 10 30 DGEERO C=CCC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000189200781 432770247 /nfs/dbraw/zinc/77/02/47/432770247.db2.gz CAUALJYUPFBLQZ-ROUUACIJSA-N 1 0 300.446 3.337 10 30 DGEERO C=CCC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000189200804 432770756 /nfs/dbraw/zinc/77/07/56/432770756.db2.gz CAUALJYUPFBLQZ-MSOLQXFVSA-N 1 0 300.446 3.337 10 30 DGEERO N#Cc1cccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160588788 432731099 /nfs/dbraw/zinc/73/10/99/432731099.db2.gz ZJGHVISBBPTTOE-QGZVFWFLSA-N 1 0 321.428 3.213 10 30 DGEERO Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)cs1 ZINC000189784164 432818664 /nfs/dbraw/zinc/81/86/64/432818664.db2.gz NRHDSDYHZZXGGU-IRXDYDNUSA-N 1 0 313.426 3.194 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000162761158 432833098 /nfs/dbraw/zinc/83/30/98/432833098.db2.gz WYYFVSHVXKFQIP-AWEZNQCLSA-N 1 0 313.445 3.107 10 30 DGEERO Cc1cc(C)n([C@@H](C)CC(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000330068207 432891261 /nfs/dbraw/zinc/89/12/61/432891261.db2.gz VEJKWEIMOBWSAL-GTPINHCMSA-N 1 0 318.465 3.424 10 30 DGEERO C#CCC(CC#C)C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000288413064 432891883 /nfs/dbraw/zinc/89/18/83/432891883.db2.gz ZTPRIHKPQRZZDY-UHFFFAOYSA-N 1 0 308.425 3.192 10 30 DGEERO CC(C)c1nc(C2(NC(=O)[C@@H]3CCCN3C)CCCC2)no1 ZINC000330074686 432892290 /nfs/dbraw/zinc/89/22/90/432892290.db2.gz FSUUSVXKLGAYOI-LBPRGKRZSA-N 1 0 306.410 3.013 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000330272739 432902256 /nfs/dbraw/zinc/90/22/56/432902256.db2.gz YBNJWRDYMGCSLI-ULKVUYOBSA-N 1 0 310.344 3.098 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCC3)C[C@@H]2C)CC1 ZINC000372969303 433068881 /nfs/dbraw/zinc/06/88/81/433068881.db2.gz WTDPBEFITARIQZ-HNNXBMFYSA-N 1 0 305.466 3.001 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(O)c(OCC)c1 ZINC000425357172 433195254 /nfs/dbraw/zinc/19/52/54/433195254.db2.gz RIDMGMXJZGLFKM-JSGCOSHPSA-N 1 0 311.809 3.125 10 30 DGEERO C=CCCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000448028514 433352654 /nfs/dbraw/zinc/35/26/54/433352654.db2.gz DDJZTUYWHHFBDF-HOCLYGCPSA-N 1 0 321.490 3.396 10 30 DGEERO C=CCCCNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000448032235 433355644 /nfs/dbraw/zinc/35/56/44/433355644.db2.gz VAGWALPEHKMQGZ-UHFFFAOYSA-N 1 0 309.498 3.496 10 30 DGEERO C=CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000448032555 433357154 /nfs/dbraw/zinc/35/71/54/433357154.db2.gz VXUPVUBTLBJLKN-KRWDZBQOSA-N 1 0 301.434 3.089 10 30 DGEERO C=CCSc1ccccc1NC(=O)CN1CCOCC[C@H]1C ZINC000374990864 433329240 /nfs/dbraw/zinc/32/92/40/433329240.db2.gz VQVSRZSJTYGBHH-CQSZACIVSA-N 1 0 320.458 3.014 10 30 DGEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)cc1C(F)(F)F ZINC000301225177 433460395 /nfs/dbraw/zinc/46/03/95/433460395.db2.gz FTIOZKIMESHNBL-AWEZNQCLSA-N 1 0 309.335 3.252 10 30 DGEERO C[C@@H]1C[N@@H+](CCCNc2cc(C#N)nc3ccccc32)C[C@H](C)O1 ZINC000301339918 433513264 /nfs/dbraw/zinc/51/32/64/433513264.db2.gz HZCFAKHRMJEZNU-GASCZTMLSA-N 1 0 324.428 3.018 10 30 DGEERO C=CCSc1ccccc1C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000362388443 433682123 /nfs/dbraw/zinc/68/21/23/433682123.db2.gz HDDBXMADUPZEDN-CQSZACIVSA-N 1 0 304.459 3.036 10 30 DGEERO Cc1cc(C#N)cc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000343028393 433771290 /nfs/dbraw/zinc/77/12/90/433771290.db2.gz SJPMEHNWVQEERM-FQEVSTJZSA-N 1 0 320.440 3.728 10 30 DGEERO C#CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000376956288 433840832 /nfs/dbraw/zinc/84/08/32/433840832.db2.gz RHOISSSKXYIBKQ-QGZVFWFLSA-N 1 0 312.457 3.159 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000363315503 434019789 /nfs/dbraw/zinc/01/97/89/434019789.db2.gz WKEYFSHYWGAXSY-CYBMUJFWSA-N 1 0 318.383 3.218 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2ccnc3cc(F)cnc32)CC1 ZINC000286081652 434157190 /nfs/dbraw/zinc/15/71/90/434157190.db2.gz AGZOEHYBSMRICK-UHFFFAOYSA-N 1 0 300.381 3.221 10 30 DGEERO C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000346178574 434172584 /nfs/dbraw/zinc/17/25/84/434172584.db2.gz QINSWFLEOJZXFQ-YESZJQIVSA-N 1 0 301.434 3.086 10 30 DGEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](CCc3ccccc3F)C2)n1 ZINC000328617273 434291655 /nfs/dbraw/zinc/29/16/55/434291655.db2.gz CPRNITDGFNUCSH-HNNXBMFYSA-N 1 0 316.380 3.120 10 30 DGEERO CC(=O)Nc1ccn([C@H]2CCN(Cc3nc(C)c(C)s3)C2)n1 ZINC000328622908 434291816 /nfs/dbraw/zinc/29/18/16/434291816.db2.gz ITEIKBLOCDPMHT-ZDUSSCGKSA-N 1 0 319.434 3.011 10 30 DGEERO CCCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622570 434291896 /nfs/dbraw/zinc/29/18/96/434291896.db2.gz IMECHOOBCIWSMM-XIRDDKMYSA-N 1 0 319.449 3.236 10 30 DGEERO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C)o1 ZINC000328627720 434293554 /nfs/dbraw/zinc/29/35/54/434293554.db2.gz MZQCTAFWHAYOAD-RDJZCZTQSA-N 1 0 313.401 3.289 10 30 DGEERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328652909 434296558 /nfs/dbraw/zinc/29/65/58/434296558.db2.gz KESZDKBJKOIIIM-QLFBSQMISA-N 1 0 309.454 3.353 10 30 DGEERO C=C[C@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000365426887 434300825 /nfs/dbraw/zinc/30/08/25/434300825.db2.gz GXUGFPQIQVHKIA-IPJUCJBFSA-N 1 0 312.457 3.479 10 30 DGEERO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450710636 434355854 /nfs/dbraw/zinc/35/58/54/434355854.db2.gz CVNSNORBDQZULM-VLIAUNLRSA-N 1 0 322.408 3.216 10 30 DGEERO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450710637 434357612 /nfs/dbraw/zinc/35/76/12/434357612.db2.gz CVNSNORBDQZULM-XOBRGWDASA-N 1 0 322.408 3.216 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H](O)Cc1ccccc1 ZINC000358561660 434395372 /nfs/dbraw/zinc/39/53/72/434395372.db2.gz SNAQWSKFMOJSIK-IQUTYRLHSA-N 1 0 312.388 3.340 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(C#N)cc1F ZINC000358561268 434395654 /nfs/dbraw/zinc/39/56/54/434395654.db2.gz GERSXSBXKFNPNS-CYBMUJFWSA-N 1 0 321.359 3.129 10 30 DGEERO Cc1cc(C(F)(F)F)c(C#N)c(SC[C@@H](C)[NH+](C)C)n1 ZINC000358857516 434408631 /nfs/dbraw/zinc/40/86/31/434408631.db2.gz ZTDHBFRCMJNMMH-SECBINFHSA-N 1 0 303.353 3.323 10 30 DGEERO C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000359252372 434416306 /nfs/dbraw/zinc/41/63/06/434416306.db2.gz LGCCZXVVCKZGOA-OWCLPIDISA-N 1 0 317.481 3.041 10 30 DGEERO C=CCOc1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000359455085 434418767 /nfs/dbraw/zinc/41/87/67/434418767.db2.gz FDSNYLWLRUJZSQ-KRWDZBQOSA-N 1 0 316.445 3.132 10 30 DGEERO C=C[C@H](CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000367903463 434560393 /nfs/dbraw/zinc/56/03/93/434560393.db2.gz KYTAKKQYKSIQKM-QRQLOZEOSA-N 1 0 312.457 3.337 10 30 DGEERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000408148050 434546464 /nfs/dbraw/zinc/54/64/64/434546464.db2.gz KERKPBVLMXOBFN-KBPBESRZSA-N 1 0 314.433 3.044 10 30 DGEERO C=CCOc1ccccc1C(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000423955858 434587797 /nfs/dbraw/zinc/58/77/97/434587797.db2.gz CLXVSCGIXYNYQP-SFHVURJKSA-N 1 0 324.424 3.244 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1sccc1Br ZINC000424170177 434645245 /nfs/dbraw/zinc/64/52/45/434645245.db2.gz IXNOFSWKRKKOAA-ONGXEEELSA-N 1 0 302.237 3.191 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000424172311 434644430 /nfs/dbraw/zinc/64/44/30/434644430.db2.gz LPDSNYANQDQBBB-KSSFIOAISA-N 1 0 304.409 3.107 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000424292624 434680094 /nfs/dbraw/zinc/68/00/94/434680094.db2.gz HATXZXZQWOAQNS-WWGRRREGSA-N 1 0 322.836 3.238 10 30 DGEERO C=CCN1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453102897 434801473 /nfs/dbraw/zinc/80/14/73/434801473.db2.gz QTNGGDFNVNXLEM-MRXNPFEDSA-N 1 0 324.472 3.388 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000412043185 434861677 /nfs/dbraw/zinc/86/16/77/434861677.db2.gz PMQQOLSJUADGJU-HKUYNNGSSA-N 1 0 316.420 3.028 10 30 DGEERO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)cc2F)CCOCC1 ZINC000424875885 434823672 /nfs/dbraw/zinc/82/36/72/434823672.db2.gz GVWAMVRCSZEUPJ-UHFFFAOYSA-N 1 0 320.408 3.199 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000527804578 435015626 /nfs/dbraw/zinc/01/56/26/435015626.db2.gz FUEQGWPDFRJCDK-GOSISDBHSA-N 1 0 322.408 3.168 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527807063 435015833 /nfs/dbraw/zinc/01/58/33/435015833.db2.gz LUIQOMJKQSTJMA-SFHVURJKSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCc1cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc(OC)c1O ZINC000527804174 435016123 /nfs/dbraw/zinc/01/61/23/435016123.db2.gz NINAYEULXXXQKU-MRHIQRDNSA-N 1 0 305.418 3.031 10 30 DGEERO Cc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(C#N)n1 ZINC000557564889 435059214 /nfs/dbraw/zinc/05/92/14/435059214.db2.gz IZPIBQGQPYQNRV-KRWDZBQOSA-N 1 0 312.461 3.354 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000466917034 435099066 /nfs/dbraw/zinc/09/90/66/435099066.db2.gz MCXCUNCTQUKEQE-IBGZPJMESA-N 1 0 311.425 3.253 10 30 DGEERO C=CCCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000467011685 435104600 /nfs/dbraw/zinc/10/46/00/435104600.db2.gz BEPRZOZLHRDGLU-GOSISDBHSA-N 1 0 315.461 3.259 10 30 DGEERO C=CCC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)C1CC1 ZINC000477949798 435285913 /nfs/dbraw/zinc/28/59/13/435285913.db2.gz XRZPBRAANNPASV-KBXCAEBGSA-N 1 0 309.400 3.450 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCc2nn(C)c3ccccc23)cc1 ZINC000479390091 435329780 /nfs/dbraw/zinc/32/97/80/435329780.db2.gz IZHNZROEIWHOEI-UHFFFAOYSA-N 1 0 321.424 3.470 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535806057 435353714 /nfs/dbraw/zinc/35/37/14/435353714.db2.gz CDAQGQXKMGQDMG-FUHWJXTLSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCCCCCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000568245786 435414709 /nfs/dbraw/zinc/41/47/09/435414709.db2.gz YHMSWUGUGVXXHV-QGZVFWFLSA-N 1 0 301.434 3.001 10 30 DGEERO C=CCCC[N@@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000537517777 435446015 /nfs/dbraw/zinc/44/60/15/435446015.db2.gz UBOFPJAULHOXRJ-HNNXBMFYSA-N 1 0 310.800 3.482 10 30 DGEERO C=CC[N@@H+](CCc1ccco1)C[C@H](O)COc1ccc(C)cc1 ZINC000537613873 435454698 /nfs/dbraw/zinc/45/46/98/435454698.db2.gz PCFCRKDIXRUDQD-KRWDZBQOSA-N 1 0 315.413 3.058 10 30 DGEERO CC[C@@H]1CN(c2ccncc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000547834842 435650752 /nfs/dbraw/zinc/65/07/52/435650752.db2.gz BMUXJLYMJJWPNP-GOSISDBHSA-N 1 0 306.413 3.054 10 30 DGEERO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C2 ZINC000540976243 313991026 /nfs/dbraw/zinc/99/10/26/313991026.db2.gz CDBZVKGYNIECTG-XHDPSFHLSA-N 1 0 310.376 3.004 10 30 DGEERO COc1ccccc1OCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000540976225 313991299 /nfs/dbraw/zinc/99/12/99/313991299.db2.gz XTCOPSSKTBSJPG-ZDUSSCGKSA-N 1 0 314.360 3.436 10 30 DGEERO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cccc(C#N)c1 ZINC000181547213 323258355 /nfs/dbraw/zinc/25/83/55/323258355.db2.gz ZCKCVTUTKZBPSJ-OXQOHEQNSA-N 1 0 307.441 3.382 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182286972 323290926 /nfs/dbraw/zinc/29/09/26/323290926.db2.gz MWPRXQNSUHDGGX-GFCCVEGCSA-N 1 0 310.353 3.146 10 30 DGEERO C=C[C@H]1CCCCN1C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000582038546 333179721 /nfs/dbraw/zinc/17/97/21/333179721.db2.gz UPEZRAQXQXBXGR-KRWDZBQOSA-N 1 0 313.445 3.174 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000101583041 334332047 /nfs/dbraw/zinc/33/20/47/334332047.db2.gz IRGRKKOIDODMDR-HZPDHXFCSA-N 1 0 318.461 3.453 10 30 DGEERO C=CCCCCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000519638327 335884183 /nfs/dbraw/zinc/88/41/83/335884183.db2.gz AZSAIMAUNLQTIS-OAHLLOKOSA-N 1 0 309.479 3.396 10 30 DGEERO CC[NH+]=C(NCC(C)(C)c1cccs1)N[C@@H]1CCC[C@H]1C#N ZINC000262451244 337618217 /nfs/dbraw/zinc/61/82/17/337618217.db2.gz WAFCJLQJKLVFQZ-UONOGXRCSA-N 1 0 318.490 3.273 10 30 DGEERO C=CCN(Cc1ccc(OC)nc1)Cc1cccc([N+](=O)[O-])c1 ZINC000085789050 338011225 /nfs/dbraw/zinc/01/12/25/338011225.db2.gz KCGXSLCENAIJIS-UHFFFAOYSA-N 1 0 313.357 3.187 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000499255733 340033486 /nfs/dbraw/zinc/03/34/86/340033486.db2.gz ZEFOQCXLAXHWBI-IAGOWNOFSA-N 1 0 303.446 3.480 10 30 DGEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000007018419 340127856 /nfs/dbraw/zinc/12/78/56/340127856.db2.gz JLXBPLZDTAZHNW-WBMJQRKESA-N 1 0 307.825 3.045 10 30 DGEERO C=CCCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000505011176 340158730 /nfs/dbraw/zinc/15/87/30/340158730.db2.gz RDGBJUUTPKCGHE-OAHLLOKOSA-N 1 0 301.434 3.269 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000505016547 340158835 /nfs/dbraw/zinc/15/88/35/340158835.db2.gz IYQVOINSWNZCKL-UHFFFAOYSA-N 1 0 313.445 3.365 10 30 DGEERO C=CCCc1ccccc1NC(=O)NCC[N@@H+](CC)C1CC1 ZINC000505034095 340159519 /nfs/dbraw/zinc/15/95/19/340159519.db2.gz AKJNRFUGXKDXIP-UHFFFAOYSA-N 1 0 301.434 3.411 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000524068185 340646868 /nfs/dbraw/zinc/64/68/68/340646868.db2.gz WRISYGYKWCXDBX-KRWDZBQOSA-N 1 0 309.498 3.351 10 30 DGEERO C=CCCC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000126929279 340839819 /nfs/dbraw/zinc/83/98/19/340839819.db2.gz RNMCBWGVVIWFSJ-UHFFFAOYSA-N 1 0 302.418 3.090 10 30 DGEERO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000542248771 341001860 /nfs/dbraw/zinc/00/18/60/341001860.db2.gz WQGZDCYUPTUBOS-CVEARBPZSA-N 1 0 303.450 3.006 10 30 DGEERO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000542248777 341001955 /nfs/dbraw/zinc/00/19/55/341001955.db2.gz WQGZDCYUPTUBOS-HOTGVXAUSA-N 1 0 303.450 3.006 10 30 DGEERO C=CCNC(=O)C[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000543988872 341065394 /nfs/dbraw/zinc/06/53/94/341065394.db2.gz KNBCWOMZMFSZSM-KVPUOBJLSA-N 1 0 304.459 3.308 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000544180247 341073203 /nfs/dbraw/zinc/07/32/03/341073203.db2.gz DJBNFICFIGYWBO-LJQANCHMSA-N 1 0 311.425 3.335 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000076734984 341213247 /nfs/dbraw/zinc/21/32/47/341213247.db2.gz JAWOKGYMZREVSI-UHFFFAOYSA-N 1 0 311.223 3.286 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000552268477 341382399 /nfs/dbraw/zinc/38/23/99/341382399.db2.gz KVMFBCVMPYSRLS-KSZLIROESA-N 1 0 300.446 3.214 10 30 DGEERO C=CCC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000249534447 341398987 /nfs/dbraw/zinc/39/89/87/341398987.db2.gz CAUALJYUPFBLQZ-ZWKOTPCHSA-N 1 0 300.446 3.337 10 30 DGEERO C=CCOc1ccccc1C[NH+]1CCC(CCC(=O)OC)CC1 ZINC000093341519 341468524 /nfs/dbraw/zinc/46/85/24/341468524.db2.gz SQLDGSPPFYIQKJ-UHFFFAOYSA-N 1 0 317.429 3.417 10 30 DGEERO C[C@H]1C[NH+]=C(NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)N1 ZINC000262670483 533989809 /nfs/dbraw/zinc/98/98/09/533989809.db2.gz QQUYGMCPRKPRIX-AWEZNQCLSA-N 1 0 321.424 3.116 10 30 DGEERO N#C[C@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000342774687 534749969 /nfs/dbraw/zinc/74/99/69/534749969.db2.gz DVVYBBXJPLTZIS-DZJYIKFMSA-N 1 0 309.457 3.464 10 30 DGEERO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000180125137 534781460 /nfs/dbraw/zinc/78/14/60/534781460.db2.gz CXNAKRDECKAQOZ-YJBOKZPZSA-N 1 0 324.428 3.147 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1OC ZINC000449681302 534882474 /nfs/dbraw/zinc/88/24/74/534882474.db2.gz DNQUKZVSXZJBMG-LJQANCHMSA-N 1 0 317.429 3.263 10 30 DGEERO C=CCN(CC[NH+]1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000354245934 526276147 /nfs/dbraw/zinc/27/61/47/526276147.db2.gz XFQGOGCKKDSWPX-UHFFFAOYSA-N 1 0 303.406 3.069 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@H](C)C1 ZINC000352691732 526349406 /nfs/dbraw/zinc/34/94/06/526349406.db2.gz NDXZSUOLZPZXQE-GDBMZVCRSA-N 1 0 304.390 3.398 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@@H](C)C1 ZINC000352691735 526350061 /nfs/dbraw/zinc/35/00/61/526350061.db2.gz NDXZSUOLZPZXQE-HOCLYGCPSA-N 1 0 304.390 3.398 10 30 DGEERO C=C(C)CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000351874373 526444035 /nfs/dbraw/zinc/44/40/35/526444035.db2.gz ITLKGALWUMJHOX-INIZCTEOSA-N 1 0 302.418 3.373 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000342011207 526697512 /nfs/dbraw/zinc/69/75/12/526697512.db2.gz XYCFXIVGUSPAOZ-MRXNPFEDSA-N 1 0 322.493 3.129 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000185468131 526712042 /nfs/dbraw/zinc/71/20/42/526712042.db2.gz XUBSSABJDIAQRC-PKOBYXMFSA-N 1 0 314.473 3.270 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000348047848 526760537 /nfs/dbraw/zinc/76/05/37/526760537.db2.gz GAWPVFHYIIRRGJ-PKOBYXMFSA-N 1 0 302.462 3.079 10 30 DGEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000435745761 526849800 /nfs/dbraw/zinc/84/98/00/526849800.db2.gz QDVXOAJIMLEEQI-XJKSGUPXSA-N 1 0 303.431 3.005 10 30 DGEERO C=CCOc1ccc(C[N@@H+](CCCO)Cc2ccccn2)cc1 ZINC000349320464 526862579 /nfs/dbraw/zinc/86/25/79/526862579.db2.gz VQWBVAAVBULOFU-UHFFFAOYSA-N 1 0 312.413 3.031 10 30 DGEERO C=CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)cc1 ZINC000353900142 526864734 /nfs/dbraw/zinc/86/47/34/526864734.db2.gz NZXGAIQJOARVON-KRWDZBQOSA-N 1 0 315.413 3.027 10 30 DGEERO C=CCOc1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000352840464 526868453 /nfs/dbraw/zinc/86/84/53/526868453.db2.gz VGYQFMLZFHOIQW-SFHVURJKSA-N 1 0 300.446 3.312 10 30 DGEERO C=CCOc1cccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c1 ZINC000344878961 526902101 /nfs/dbraw/zinc/90/21/01/526902101.db2.gz YAWTVMAWEYFNTL-CQSZACIVSA-N 1 0 303.324 3.308 10 30 DGEERO C=CCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000155356020 526917924 /nfs/dbraw/zinc/91/79/24/526917924.db2.gz LZFMPKKFRNHISR-JQFCIGGWSA-N 1 0 300.402 3.111 10 30 DGEERO C=CCOc1ccccc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000348636171 526933563 /nfs/dbraw/zinc/93/35/63/526933563.db2.gz PYRYOBFKKKNOTG-AEFFLSMTSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccccc1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000353504901 526937017 /nfs/dbraw/zinc/93/70/17/526937017.db2.gz VERUJKPNWRBOKL-QGZVFWFLSA-N 1 0 316.445 3.132 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184266707 527100458 /nfs/dbraw/zinc/10/04/58/527100458.db2.gz YFSAMXZQWMUURJ-LBPRGKRZSA-N 1 0 318.398 3.350 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000343513476 527104137 /nfs/dbraw/zinc/10/41/37/527104137.db2.gz WDCGYVXCJCJJDZ-KBPBESRZSA-N 1 0 310.235 3.271 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000349835115 527104430 /nfs/dbraw/zinc/10/44/30/527104430.db2.gz OPAPLYYJCLYATG-PBHICJAKSA-N 1 0 319.449 3.148 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000343513477 527210537 /nfs/dbraw/zinc/21/05/37/527210537.db2.gz WDCGYVXCJCJJDZ-KGLIPLIRSA-N 1 0 310.235 3.271 10 30 DGEERO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000412839522 527221403 /nfs/dbraw/zinc/22/14/03/527221403.db2.gz LUWAWKUAAZJZGQ-RYQLBKOJSA-N 1 0 300.446 3.020 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000340757140 527248982 /nfs/dbraw/zinc/24/89/82/527248982.db2.gz XNDSNAVPYHIOEL-OAHLLOKOSA-N 1 0 304.409 3.328 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415578313 527259257 /nfs/dbraw/zinc/25/92/57/527259257.db2.gz IIZRAEUDKLTHQQ-AWEZNQCLSA-N 1 0 301.434 3.351 10 30 DGEERO C=CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1cccs1 ZINC000358802948 527340100 /nfs/dbraw/zinc/34/01/00/527340100.db2.gz QQXRPLPFRSYZRH-LLVKDONJSA-N 1 0 308.476 3.235 10 30 DGEERO C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000351078896 527355759 /nfs/dbraw/zinc/35/57/59/527355759.db2.gz ZKRAFKCNQIGFTO-BZUAXINKSA-N 1 0 319.497 3.144 10 30 DGEERO C=CCC[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000159125668 527478855 /nfs/dbraw/zinc/47/88/55/527478855.db2.gz ZBKNKXKUUBTZPX-IRXDYDNUSA-N 1 0 301.434 3.087 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000424295592 527499572 /nfs/dbraw/zinc/49/95/72/527499572.db2.gz NDVOWEAUBCSRDZ-DZKIICNBSA-N 1 0 305.418 3.254 10 30 DGEERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1C ZINC000442875927 527870961 /nfs/dbraw/zinc/87/09/61/527870961.db2.gz XFFVFHSSLUQBRR-HPDBWDTBSA-N 1 0 306.450 3.274 10 30 DGEERO CCCCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000156652319 528180892 /nfs/dbraw/zinc/18/08/92/528180892.db2.gz XLJKHZWRXFKIQB-UHFFFAOYSA-N 1 0 322.474 3.233 10 30 DGEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000181494480 528697381 /nfs/dbraw/zinc/69/73/81/528697381.db2.gz CXXCZRGDALDAID-CVEARBPZSA-N 1 0 323.440 3.499 10 30 DGEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H](C)c1ccc(C)o1 ZINC000130122444 528816045 /nfs/dbraw/zinc/81/60/45/528816045.db2.gz GBVXWXKFEQFVFH-ZVZYQTTQSA-N 1 0 321.465 3.145 10 30 DGEERO CC(C)[NH+](CCCNC(=O)NCC1CCC(C#N)CC1)C(C)C ZINC000441015970 528883036 /nfs/dbraw/zinc/88/30/36/528883036.db2.gz ZQKAVECBCYPXJW-UHFFFAOYSA-N 1 0 322.497 3.124 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000273476949 546358878 /nfs/dbraw/zinc/35/88/78/546358878.db2.gz KMWWEFZTNYGNAE-GFCCVEGCSA-N 1 0 321.218 3.024 10 30 DGEERO C#CC[N@H+]1CCC[C@H]1COC(=O)C1(c2cccc(C)c2)CCC1 ZINC000729808428 575263454 /nfs/dbraw/zinc/26/34/54/575263454.db2.gz BNOYFVYOYMGZCN-SFHVURJKSA-N 1 0 311.425 3.058 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=S)Nc2ccccc2C)CC1 ZINC000729942328 575267524 /nfs/dbraw/zinc/26/75/24/575267524.db2.gz KBWJRTFWLHBOFO-UHFFFAOYSA-N 1 0 303.475 3.322 10 30 DGEERO C=CCc1cc(OCC)cc(C[NH+]2CCC([C@@H](C)O)CC2)c1O ZINC000118946298 621591612 /nfs/dbraw/zinc/59/16/12/621591612.db2.gz QTGKJWWPOZISLP-CQSZACIVSA-N 1 0 319.445 3.112 10 30 DGEERO C#CCCCCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000119515387 621680026 /nfs/dbraw/zinc/68/00/26/621680026.db2.gz NYPVVVWGNZBAKV-UHFFFAOYSA-N 1 0 312.457 3.482 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000121098376 622130737 /nfs/dbraw/zinc/13/07/37/622130737.db2.gz VZLSBHUDFDWVPD-UHFFFAOYSA-N 1 0 311.769 3.085 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCC[C@H]2CCCC[C@H]2O)cc1 ZINC000128206210 624795988 /nfs/dbraw/zinc/79/59/88/624795988.db2.gz JHRXZEWKOOUNJH-IEBWSBKVSA-N 1 0 301.430 3.120 10 30 DGEERO CCCCCCNC(=[NH2+])NCc1ccccc1-n1ccc(C)n1 ZINC000128777207 625227483 /nfs/dbraw/zinc/22/74/83/625227483.db2.gz RCXQITOPWLHHEZ-UHFFFAOYSA-N 1 0 313.449 3.165 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000130759967 625897706 /nfs/dbraw/zinc/89/77/06/625897706.db2.gz KDZYALKVVLSEFK-FUHWJXTLSA-N 1 0 315.461 3.187 10 30 DGEERO COc1ccc(F)cc1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000186865915 660578239 /nfs/dbraw/zinc/57/82/39/660578239.db2.gz MUBUMSQVNAYFQW-UHFFFAOYSA-N 1 0 301.365 3.378 10 30 DGEERO CC1(C)CC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)O1 ZINC000186887860 660579768 /nfs/dbraw/zinc/57/97/68/660579768.db2.gz VQSSCZJDVNRFAT-CQSZACIVSA-N 1 0 301.434 3.250 10 30 DGEERO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)OC(C)(C)C ZINC000700757453 660632952 /nfs/dbraw/zinc/63/29/52/660632952.db2.gz SGLDKAWAIFOENF-RISCZKNCSA-N 1 0 321.446 3.107 10 30 DGEERO C=C[C@](C)(CCOC)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187594292 655552009 /nfs/dbraw/zinc/55/20/09/655552009.db2.gz HRNYCDDIPPUNMZ-IEBWSBKVSA-N 1 0 317.429 3.033 10 30 DGEERO C[NH+]=C(N[C@H](C)c1ccc(C)o1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262371980 655843716 /nfs/dbraw/zinc/84/37/16/655843716.db2.gz ITVQXIHQOKRIHW-OCVGTWLNSA-N 1 0 319.449 3.018 10 30 DGEERO [NH2+]=C(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)NC1CC1 ZINC000066244400 655939547 /nfs/dbraw/zinc/93/95/47/655939547.db2.gz CWSNWXMSBTZKCA-UHFFFAOYSA-N 1 0 321.424 3.245 10 30 DGEERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000715076580 661207673 /nfs/dbraw/zinc/20/76/73/661207673.db2.gz IZRRUGGMKBNHIK-UHFFFAOYSA-N 1 0 321.446 3.013 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000716802300 661229538 /nfs/dbraw/zinc/22/95/38/661229538.db2.gz XZQJIASKJMCZLA-LBPRGKRZSA-N 1 0 303.349 3.426 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccnc2ccccc21 ZINC000162667531 656184868 /nfs/dbraw/zinc/18/48/68/656184868.db2.gz JZAMLFCERJHWSP-HNNXBMFYSA-N 1 0 310.397 3.125 10 30 DGEERO C=CCc1cc(CN(C)C[C@H]2CCC[N@H+]2CC)c(O)c(OC)c1 ZINC000164445446 657304491 /nfs/dbraw/zinc/30/44/91/657304491.db2.gz XQGGOUHBQJSCJT-QGZVFWFLSA-N 1 0 318.461 3.045 10 30 DGEERO CC(C)(C)OC(=O)C1CCC(NC(=[NH2+])NC2CCCCC2)CC1 ZINC000093887952 657376316 /nfs/dbraw/zinc/37/63/16/657376316.db2.gz TZNDLUXILCTJIH-UHFFFAOYSA-N 1 0 323.481 3.124 10 30 DGEERO CC[N@H+](CCCOc1ccc(C#N)cc1)CCc1nccs1 ZINC000179037605 657432197 /nfs/dbraw/zinc/43/21/97/657432197.db2.gz IUGZJOMQKOHZTI-UHFFFAOYSA-N 1 0 315.442 3.348 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NCCc1ccccc1Cl ZINC000303777859 657562779 /nfs/dbraw/zinc/56/27/79/657562779.db2.gz JCARBYXDJXGXRH-UHFFFAOYSA-N 1 0 307.850 3.091 10 30 DGEERO CC(C)COc1ccccc1CNC(=[NH2+])NC1CCCCC1 ZINC000303878097 657569770 /nfs/dbraw/zinc/56/97/70/657569770.db2.gz IZUDKRVJOOCBOE-UHFFFAOYSA-N 1 0 303.450 3.458 10 30 DGEERO Cc1ccc([C@@H](CNC(=[NH2+])Nc2cccc(C)c2)N(C)C)cc1 ZINC000303897339 657575556 /nfs/dbraw/zinc/57/55/56/657575556.db2.gz UXSUVKJNWIGVIX-GOSISDBHSA-N 1 0 310.445 3.333 10 30 DGEERO COc1ccc(NC(=[NH2+])NCc2ccc(SC)cc2)cc1 ZINC000303902225 657576760 /nfs/dbraw/zinc/57/67/60/657576760.db2.gz XSJIPUPOSYWSAM-UHFFFAOYSA-N 1 0 301.415 3.344 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)N(C)C)c1 ZINC000303910428 657579111 /nfs/dbraw/zinc/57/91/11/657579111.db2.gz YWMXRFMVGBIAKM-KRWDZBQOSA-N 1 0 314.408 3.164 10 30 DGEERO [NH2+]=C(NCc1cccc(OCC(F)F)c1)NC1CCCCC1 ZINC000303970787 657582586 /nfs/dbraw/zinc/58/25/86/657582586.db2.gz CWTSFZNYJKYLBP-UHFFFAOYSA-N 1 0 311.376 3.068 10 30 DGEERO [NH2+]=C(NCCCCc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000304740453 657645663 /nfs/dbraw/zinc/64/56/63/657645663.db2.gz BPIOUNDHXASEFU-UHFFFAOYSA-N 1 0 318.421 3.155 10 30 DGEERO C[C@H](CNC(=[NH2+])NCCc1cccs1)Cc1cccs1 ZINC000304787073 657652057 /nfs/dbraw/zinc/65/20/57/657652057.db2.gz ITXJNIKHCOYUIM-LBPRGKRZSA-N 1 0 307.488 3.135 10 30 DGEERO CSCc1cc(F)ccc1CNC(=[NH2+])N1CCC(C)CC1 ZINC000304959426 657659343 /nfs/dbraw/zinc/65/93/43/657659343.db2.gz XTSMEKQKLQIWLM-UHFFFAOYSA-N 1 0 309.454 3.235 10 30 DGEERO [NH2+]=C(NCCc1c[nH]c2ccc(F)cc12)N1CCCCCC1 ZINC000305043748 657667505 /nfs/dbraw/zinc/66/75/05/657667505.db2.gz DTOZTPDZMCUYNP-UHFFFAOYSA-N 1 0 302.397 3.040 10 30 DGEERO CO[C@@H](CNC(=[NH2+])NC1CCCCC1)c1ccccc1Cl ZINC000305054546 657669030 /nfs/dbraw/zinc/66/90/30/657669030.db2.gz GBUVGZOJDRFRPV-HNNXBMFYSA-N 1 0 309.841 3.265 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000303886010 657697300 /nfs/dbraw/zinc/69/73/00/657697300.db2.gz NPTSNUVMASBHOW-INIZCTEOSA-N 1 0 322.456 3.168 10 30 DGEERO [NH2+]=C(NC[C@H]1CC12CCOCC2)Nc1cccc2c1CCCC2 ZINC000262815692 658044302 /nfs/dbraw/zinc/04/43/02/658044302.db2.gz OVUDLEGWHMNTEE-OAHLLOKOSA-N 1 0 313.445 3.109 10 30 DGEERO COc1ccc2c(c1)CCC[C@H]2CNC(=[NH2+])NC1CCCCC1 ZINC000305794545 658047576 /nfs/dbraw/zinc/04/75/76/658047576.db2.gz UTFZPDLVZLSZOE-HNNXBMFYSA-N 1 0 315.461 3.352 10 30 DGEERO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164259490 658923519 /nfs/dbraw/zinc/92/35/19/658923519.db2.gz UUGUPIYPXOFMOQ-ZFWWWQNUSA-N 1 0 310.463 3.454 10 30 DGEERO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000156478518 658923844 /nfs/dbraw/zinc/92/38/44/658923844.db2.gz RVEFPFMLBPFCPO-UZLBHIALSA-N 1 0 308.425 3.463 10 30 DGEERO COc1ccc(C[NH2+]CCOc2ccc(F)cc2F)cc1C#N ZINC000174365036 659429801 /nfs/dbraw/zinc/42/98/01/659429801.db2.gz JJWJJAAFBLZZPW-UHFFFAOYSA-N 1 0 318.323 3.014 10 30 DGEERO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCSC2)ccc1OC ZINC000183603554 660126157 /nfs/dbraw/zinc/12/61/57/660126157.db2.gz XVDHQUHAPDAFMG-CABCVRRESA-N 1 0 320.458 3.361 10 30 DGEERO CCCCCCC[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000157901561 661869451 /nfs/dbraw/zinc/86/94/51/661869451.db2.gz JRGIWQWBVQRJIS-QGZVFWFLSA-N 1 0 323.525 3.022 10 30 DGEERO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000188777016 661944541 /nfs/dbraw/zinc/94/45/41/661944541.db2.gz VDWBZGFHSZLLFZ-UONOGXRCSA-N 1 0 311.385 3.404 10 30 DGEERO CC(C)[N@H+](CCCOc1ccc(C#N)cc1)C1CCOCC1 ZINC000077323872 662021422 /nfs/dbraw/zinc/02/14/22/662021422.db2.gz ZBBXVWGTDKENEE-UHFFFAOYSA-N 1 0 302.418 3.217 10 30 DGEERO C#CC[N@@H+](CCCS(=O)(=O)c1cccc(C)c1)C1CCCC1 ZINC000155338206 685097282 /nfs/dbraw/zinc/09/72/82/685097282.db2.gz CYDXBXOSEPEXNE-UHFFFAOYSA-N 1 0 319.470 3.037 10 30 DGEERO C[NH+]=C(NCc1ccc(Br)s1)N[C@H](C)C(C)C ZINC000262947986 685124619 /nfs/dbraw/zinc/12/46/19/685124619.db2.gz BFZZEQNFJYMTTO-SECBINFHSA-N 1 0 318.284 3.220 10 30 DGEERO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000389859731 685197197 /nfs/dbraw/zinc/19/71/97/685197197.db2.gz FWOUREALCBAIKV-WIYYLYMNSA-N 1 0 304.437 3.148 10 30 DGEERO C=CCSCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401712641 1199416182 /nfs/dbraw/zinc/41/61/82/1199416182.db2.gz FMHDQFSNRRDPDH-KBPBESRZSA-N 1 0 314.495 3.141 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNCc1cn2ccccc2n1)C(C)C ZINC000150950642 1202590920 /nfs/dbraw/zinc/59/09/20/1202590920.db2.gz KPSDUYCOWLJGPD-GOSISDBHSA-N 1 0 312.461 3.123 10 30 DGEERO Cc1ccc([C@H](C)NC(=O)C[N+](C)(C)C2CCCC2)cc1C ZINC000029414173 717118317 /nfs/dbraw/zinc/11/83/17/717118317.db2.gz VAEQNRWJQBGXNR-INIZCTEOSA-O 1 0 303.470 3.500 10 30 DGEERO C[N@H+](CCCOCc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000402404892 1094011624 /nfs/dbraw/zinc/01/16/24/1094011624.db2.gz TXYFALQBWXNAIQ-HXUWFJFHSA-N 1 0 324.424 3.130 10 30 DGEERO C#CCN(C)CCC[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719531931 1104942364 /nfs/dbraw/zinc/94/23/64/1104942364.db2.gz AZMHYTONHHSBIR-UHFFFAOYSA-N 1 0 323.278 3.111 10 30 DGEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000184056134 529407447 /nfs/dbraw/zinc/40/74/47/529407447.db2.gz FHJYRAKSUMBDAI-CGTJXYLNSA-N 1 0 313.445 3.036 10 30 DGEERO CC[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000184052505 529587475 /nfs/dbraw/zinc/58/74/75/529587475.db2.gz IZXQJXBSHOTWAE-ZDUSSCGKSA-N 1 0 305.447 3.131 10 30 DGEERO CCc1ccc(CNC(=[NH+]C)N(C)Cc2csc(C)n2)s1 ZINC000261863728 529638091 /nfs/dbraw/zinc/63/80/91/529638091.db2.gz YUVTUPTZACQZSZ-UHFFFAOYSA-N 1 0 322.503 3.283 10 30 DGEERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092587943 185327694 /nfs/dbraw/zinc/32/76/94/185327694.db2.gz VPMAEYIUDHOQNN-HZPDHXFCSA-N 1 0 301.434 3.238 10 30 DGEERO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000092704849 185334157 /nfs/dbraw/zinc/33/41/57/185334157.db2.gz TZVHNVWULLQBCF-HNNXBMFYSA-N 1 0 317.433 3.060 10 30 DGEERO COc1ccc(Oc2ncccc2C#N)cc1C[NH+]1CCCC1 ZINC000067434556 432030796 /nfs/dbraw/zinc/03/07/96/432030796.db2.gz TZSDQQLGXNSZCO-UHFFFAOYSA-N 1 0 309.369 3.350 10 30 DGEERO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131906627 432041277 /nfs/dbraw/zinc/04/12/77/432041277.db2.gz RJZDCGNDLOGUMF-LJQANCHMSA-N 1 0 309.413 3.159 10 30 DGEERO COCCOc1cccc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000441357551 239042111 /nfs/dbraw/zinc/04/21/11/239042111.db2.gz NZPWHOXXHKKKEV-UHFFFAOYSA-N 1 0 302.418 3.131 10 30 DGEERO C=CCCCC[C@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000449252920 240092672 /nfs/dbraw/zinc/09/26/72/240092672.db2.gz UKEMTXXBHAYMCC-HNNXBMFYSA-N 1 0 321.440 3.282 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000091376304 193049376 /nfs/dbraw/zinc/04/93/76/193049376.db2.gz WGCNUBHIHLFBGS-CQSZACIVSA-N 1 0 320.396 3.175 10 30 DGEERO C=C(C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459008175 243226522 /nfs/dbraw/zinc/22/65/22/243226522.db2.gz TYFDHXTVHZDEKN-KRWDZBQOSA-N 1 0 307.482 3.250 10 30 DGEERO C=CCCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474072372 244367105 /nfs/dbraw/zinc/36/71/05/244367105.db2.gz IDMYYQRDWLRJKC-GOSISDBHSA-N 1 0 315.461 3.259 10 30 DGEERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000093611351 193273901 /nfs/dbraw/zinc/27/39/01/193273901.db2.gz VXRGLIFHDBTPHU-INIZCTEOSA-N 1 0 309.413 3.248 10 30 DGEERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)c1 ZINC000093837994 193314846 /nfs/dbraw/zinc/31/48/46/193314846.db2.gz NCCAGNZJFBCEEI-ZDUSSCGKSA-N 1 0 312.369 3.158 10 30 DGEERO CCSCC[C@@H](C)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093870924 193321613 /nfs/dbraw/zinc/32/16/13/193321613.db2.gz QLSXSYOLFLXGNC-CYBMUJFWSA-N 1 0 302.447 3.169 10 30 DGEERO C=CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000246368791 432123278 /nfs/dbraw/zinc/12/32/78/432123278.db2.gz ZBKNKXKUUBTZPX-DLBZAZTESA-N 1 0 301.434 3.087 10 30 DGEERO C=CCCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493984740 246103169 /nfs/dbraw/zinc/10/31/69/246103169.db2.gz JKGJXSMIWPIIAG-ZBFHGGJFSA-N 1 0 310.800 3.307 10 30 DGEERO C=CCCC[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494286037 246131943 /nfs/dbraw/zinc/13/19/43/246131943.db2.gz VVSTXMXAHFCGED-UHFFFAOYSA-N 1 0 304.253 3.271 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CCC#N ZINC000042952577 183320962 /nfs/dbraw/zinc/32/09/62/183320962.db2.gz DUXPOHFECSPBPT-KGLIPLIRSA-N 1 0 310.239 3.073 10 30 DGEERO N#Cc1ccc(O[C@@H](C[NH3+])c2ccc(Br)cc2)cc1 ZINC000042956875 183322763 /nfs/dbraw/zinc/32/27/63/183322763.db2.gz LSACSUUXWSIEFB-HNNXBMFYSA-N 1 0 317.186 3.400 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)C[C@@H](C)C#N ZINC000043093275 183336741 /nfs/dbraw/zinc/33/67/41/183336741.db2.gz XWOSAIIQBXVPJI-TUKIKUTGSA-N 1 0 324.266 3.319 10 30 DGEERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(CCC#N)C1CC1 ZINC000043093415 183336425 /nfs/dbraw/zinc/33/64/25/183336425.db2.gz FVMOEBNOEVYHEE-IAQYHMDHSA-N 1 0 322.250 3.215 10 30 DGEERO N#Cc1ccc(NCCC[NH2+]Cc2cccnc2)cc1Cl ZINC000063197159 184278067 /nfs/dbraw/zinc/27/80/67/184278067.db2.gz RIORDZLGWIXHTN-UHFFFAOYSA-N 1 0 300.793 3.198 10 30 DGEERO CCOCC[N@@H+]1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1CC ZINC000249264329 285065228 /nfs/dbraw/zinc/06/52/28/285065228.db2.gz IMOYDXHVQMQJGL-APWZRJJASA-N 1 0 315.461 3.052 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)ccc1OC ZINC000270143529 208204906 /nfs/dbraw/zinc/20/49/06/208204906.db2.gz BJIQVVZATSIVPH-ZDUSSCGKSA-N 1 0 301.390 3.224 10 30 DGEERO N#Cc1ccc(C(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000048522966 256536103 /nfs/dbraw/zinc/53/61/03/256536103.db2.gz YYBHNMIHMCNSTP-UHFFFAOYSA-N 1 0 313.380 3.319 10 30 DGEERO COc1cc(C#N)ccc1C[N@H+](CCc1nccs1)C(C)C ZINC000121586968 195311563 /nfs/dbraw/zinc/31/15/63/195311563.db2.gz GRMFIFOIKGVIDL-UHFFFAOYSA-N 1 0 315.442 3.476 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514445 400125360 /nfs/dbraw/zinc/12/53/60/400125360.db2.gz JUWCQPUBONWMOT-KGLIPLIRSA-N 1 0 304.394 3.221 10 30 DGEERO C=C(CC)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000313483604 400137116 /nfs/dbraw/zinc/13/71/16/400137116.db2.gz OUKKYFKZYNMFEA-LLVKDONJSA-N 1 0 304.217 3.289 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000092043323 400149091 /nfs/dbraw/zinc/14/90/91/400149091.db2.gz CTQSFRMXZGGGGY-WMZOPIPTSA-N 1 0 300.446 3.168 10 30 DGEERO C=C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617011930 400274256 /nfs/dbraw/zinc/27/42/56/400274256.db2.gz PJCFSUAVDKUBSF-DOTOQJQBSA-N 1 0 300.446 3.335 10 30 DGEERO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](CO)c1ccccc1 ZINC000611393986 400392371 /nfs/dbraw/zinc/39/23/71/400392371.db2.gz WBCHNTLLMOJWLZ-AZUAARDMSA-N 1 0 306.409 3.301 10 30 DGEERO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611559881 400420919 /nfs/dbraw/zinc/42/09/19/400420919.db2.gz FZBPBKYWRYZIDP-GDBMZVCRSA-N 1 0 304.390 3.098 10 30 DGEERO C=CCOCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611559884 400421602 /nfs/dbraw/zinc/42/16/02/400421602.db2.gz FZBPBKYWRYZIDP-ZBFHGGJFSA-N 1 0 304.390 3.098 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1F ZINC000611589268 400428298 /nfs/dbraw/zinc/42/82/98/400428298.db2.gz WANSITKRKBWAQX-VERVWZFWSA-N 1 0 316.401 3.286 10 30 DGEERO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047454174 400617750 /nfs/dbraw/zinc/61/77/50/400617750.db2.gz IZDZNGBBGKZOLW-AWEZNQCLSA-N 1 0 323.396 3.026 10 30 DGEERO C=CCCCN(C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000150961540 400668784 /nfs/dbraw/zinc/66/87/84/400668784.db2.gz BQPOKLIAZINCRW-UHFFFAOYSA-N 1 0 319.449 3.447 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000076952773 400681747 /nfs/dbraw/zinc/68/17/47/400681747.db2.gz DJNZECSKBLDOHY-WMZOPIPTSA-N 1 0 315.461 3.430 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000633410874 400940467 /nfs/dbraw/zinc/94/04/67/400940467.db2.gz FMFUZXTWGNMEGH-JKSUJKDBSA-N 1 0 307.482 3.247 10 30 DGEERO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000633433313 400949786 /nfs/dbraw/zinc/94/97/86/400949786.db2.gz GAEYXAHBPMDINS-OKZBNKHCSA-N 1 0 300.446 3.020 10 30 DGEERO C#CC[C@H]([NH3+])c1cc(Br)cc(Br)c1 ZINC000236304926 400977832 /nfs/dbraw/zinc/97/78/32/400977832.db2.gz DXFWSMNODSBWHI-JTQLQIEISA-N 1 0 302.997 3.235 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000620302928 401050544 /nfs/dbraw/zinc/05/05/44/401050544.db2.gz CYHHSPYDLNBQHM-QRVBRYPASA-N 1 0 310.441 3.218 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000620309324 401052535 /nfs/dbraw/zinc/05/25/35/401052535.db2.gz NZLIJSIMGNANGA-NXHRZFHOSA-N 1 0 302.462 3.351 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(CC)C2)ccc1OC ZINC000057966300 401039971 /nfs/dbraw/zinc/03/99/71/401039971.db2.gz XQPQSGDBHSFWTK-QGZVFWFLSA-N 1 0 318.461 3.224 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625784015 401216923 /nfs/dbraw/zinc/21/69/23/401216923.db2.gz BTXBTVAXWNPVFB-QAPCUYQASA-N 1 0 315.461 3.326 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000625701749 401185219 /nfs/dbraw/zinc/18/52/19/401185219.db2.gz CPBPGOVIFVKMAX-GDBMZVCRSA-N 1 0 309.837 3.116 10 30 DGEERO C=CC[C@@H]1CC[N@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000625700439 401185416 /nfs/dbraw/zinc/18/54/16/401185416.db2.gz BUMYJQWPGXSJLU-UYAOXDASSA-N 1 0 314.473 3.176 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595011051 401231355 /nfs/dbraw/zinc/23/13/55/401231355.db2.gz GSBLVSGHRRGXMD-KGLIPLIRSA-N 1 0 317.389 3.258 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)NCCOCCC[NH3+] ZINC000625882140 401242479 /nfs/dbraw/zinc/24/24/79/401242479.db2.gz YKUYOLRXHJJCOG-UHFFFAOYSA-N 1 0 319.449 3.025 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000630885701 401346955 /nfs/dbraw/zinc/34/69/55/401346955.db2.gz TWNANFJMUCMKPB-HNNXBMFYSA-N 1 0 302.418 3.197 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)c2cccc3cccc(O)c32)CC1 ZINC000630943155 401357447 /nfs/dbraw/zinc/35/74/47/401357447.db2.gz OLQJDAUKZRCCAS-UHFFFAOYSA-N 1 0 324.424 3.316 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cccc(Br)c1Cl ZINC000631111254 401398043 /nfs/dbraw/zinc/39/80/43/401398043.db2.gz NOZHQTYXTFMGMI-JTQLQIEISA-N 1 0 304.615 3.129 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000631162337 401412093 /nfs/dbraw/zinc/41/20/93/401412093.db2.gz VNNBAMHRJOCCQM-FZMZJTMJSA-N 1 0 311.809 3.038 10 30 DGEERO C=CCC[C@@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000627003532 401431888 /nfs/dbraw/zinc/43/18/88/401431888.db2.gz RCNUCNZKBIAECS-IAGOWNOFSA-N 1 0 313.445 3.278 10 30 DGEERO C=CCCn1cc(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)nn1 ZINC000631252417 401438162 /nfs/dbraw/zinc/43/81/62/401438162.db2.gz VYXFCGPQPWUTIM-CZIWCDLHSA-N 1 0 314.458 3.267 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000627121126 401446543 /nfs/dbraw/zinc/44/65/43/401446543.db2.gz PURYPRGCNOJNEL-HZPDHXFCSA-N 1 0 307.482 3.010 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)C(C)(C)O)cc1OC ZINC000623395346 401507318 /nfs/dbraw/zinc/50/73/18/401507318.db2.gz IHRPOUNKGNHTBW-LLVKDONJSA-N 1 0 313.825 3.162 10 30 DGEERO C=C1CC(C)(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000631591986 401508898 /nfs/dbraw/zinc/50/88/98/401508898.db2.gz KVTNMWWDJWGTGE-INIZCTEOSA-N 1 0 300.446 3.370 10 30 DGEERO C=CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000628016367 401512592 /nfs/dbraw/zinc/51/25/92/401512592.db2.gz BQHQJPYPQAWAIU-MSOLQXFVSA-N 1 0 300.446 3.194 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1Cl ZINC000628461283 401601237 /nfs/dbraw/zinc/60/12/37/401601237.db2.gz RTIZBEXGMIIKRO-MAUKXSAKSA-N 1 0 321.848 3.499 10 30 DGEERO C=CC(C)(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000623814151 401582359 /nfs/dbraw/zinc/58/23/59/401582359.db2.gz BMHQRPKAWYFTHV-IAGOWNOFSA-N 1 0 315.461 3.333 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000623630256 401558865 /nfs/dbraw/zinc/55/88/65/401558865.db2.gz ABLZFPIGMUMTBM-YOEHRIQHSA-N 1 0 319.424 3.036 10 30 DGEERO C=CCCC(C)(C)CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000632949919 401641061 /nfs/dbraw/zinc/64/10/61/401641061.db2.gz HAJSGGCNWGGYMC-AWEZNQCLSA-N 1 0 316.449 3.012 10 30 DGEERO C=CCCC(C)(C)CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000632951769 401641406 /nfs/dbraw/zinc/64/14/06/401641406.db2.gz QSFKPQNZKCDQKK-UHFFFAOYSA-N 1 0 317.433 3.283 10 30 DGEERO C=C1CC(C)(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000632999457 401645014 /nfs/dbraw/zinc/64/50/14/401645014.db2.gz ZAQDOJDUMFWJGR-UHFFFAOYSA-N 1 0 321.424 3.240 10 30 DGEERO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000624266774 401645460 /nfs/dbraw/zinc/64/54/60/401645460.db2.gz UYUUYDABQZJIRH-RBUKOAKNSA-N 1 0 317.477 3.007 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000624038107 401616867 /nfs/dbraw/zinc/61/68/67/401616867.db2.gz RLDKVUXRWVCXLB-AWEZNQCLSA-N 1 0 311.422 3.236 10 30 DGEERO C=CC(C)(C)CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000624470043 401663451 /nfs/dbraw/zinc/66/34/51/401663451.db2.gz LLTSEDFPMAAOEP-CYBMUJFWSA-N 1 0 309.479 3.252 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633376954 401678176 /nfs/dbraw/zinc/67/81/76/401678176.db2.gz OAPGQKZPGFVOQT-UHFFFAOYSA-N 1 0 307.482 3.249 10 30 DGEERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C12CCOCC2 ZINC000248991966 286402569 /nfs/dbraw/zinc/40/25/69/286402569.db2.gz LEYTYPODRYOOEA-FHLIZLRMSA-N 1 0 314.429 3.183 10 30 DGEERO COc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1C#N ZINC000169148045 164611239 /nfs/dbraw/zinc/61/12/39/164611239.db2.gz JCJAEBBDSGGKTK-GUYCJALGSA-N 1 0 308.381 3.221 10 30 DGEERO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H]1COc2ccccc21 ZINC000185604301 165009756 /nfs/dbraw/zinc/00/97/56/165009756.db2.gz QEQHYPLNYDLMDJ-KXBFYZLASA-N 1 0 322.408 3.481 10 30 DGEERO COc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1C#N ZINC000188945575 165143071 /nfs/dbraw/zinc/14/30/71/165143071.db2.gz YEGZWMDQGYWRJC-KRWDZBQOSA-N 1 0 308.381 3.489 10 30 DGEERO C[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1cccc(C#N)c1 ZINC000181919449 432150765 /nfs/dbraw/zinc/15/07/65/432150765.db2.gz XWPXJYCFLHDBKV-CXAGYDPISA-N 1 0 305.381 3.335 10 30 DGEERO C=CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000150881701 432198941 /nfs/dbraw/zinc/19/89/41/432198941.db2.gz CUZFTRAPIHHXLS-AWEZNQCLSA-N 1 0 320.399 3.466 10 30 DGEERO C=CCC[C@H](O)C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000247383458 432226433 /nfs/dbraw/zinc/22/64/33/432226433.db2.gz LGLYGZSKFRAOEI-AOIWGVFYSA-N 1 0 303.446 3.392 10 30 DGEERO C[C@H]1C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC(C)(C)C1 ZINC000184149089 228381518 /nfs/dbraw/zinc/38/15/18/228381518.db2.gz KKNSFWMZMXNZBI-HOTGVXAUSA-N 1 0 307.482 3.143 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CCCCC1(F)F ZINC000263192344 228648876 /nfs/dbraw/zinc/64/88/76/228648876.db2.gz VZDFSENXCHEERL-LLVKDONJSA-N 1 0 301.406 3.020 10 30 DGEERO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358560220 270004050 /nfs/dbraw/zinc/00/40/50/270004050.db2.gz QJUGEUHUVDFRFU-DZGCQCFKSA-N 1 0 323.371 3.153 10 30 DGEERO C=CCC[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247434655 432229893 /nfs/dbraw/zinc/22/98/93/432229893.db2.gz NYESCJCVKDUHJH-YESZJQIVSA-N 1 0 307.434 3.275 10 30 DGEERO C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc(C#N)cc1F ZINC000358568152 267181671 /nfs/dbraw/zinc/18/16/71/267181671.db2.gz FNBTVEKSPCQUHC-AWEZNQCLSA-N 1 0 320.408 3.181 10 30 DGEERO N#Cc1cccc(OCCC[NH2+]C2(CCO)CCCCC2)c1 ZINC000357636443 268273440 /nfs/dbraw/zinc/27/34/40/268273440.db2.gz QRCYURJEJHBHAM-UHFFFAOYSA-N 1 0 302.418 3.002 10 30 DGEERO N#Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366750629 268302656 /nfs/dbraw/zinc/30/26/56/268302656.db2.gz XJFCMPZUYJNXNU-OAHLLOKOSA-N 1 0 317.458 3.147 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000151403558 432244084 /nfs/dbraw/zinc/24/40/84/432244084.db2.gz JGKILIVLWCAVCK-AEFFLSMTSA-N 1 0 319.470 3.396 10 30 DGEERO C[NH+](C)[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177281498 276869622 /nfs/dbraw/zinc/86/96/22/276869622.db2.gz YDAFTVRYZZGBSR-INIZCTEOSA-N 1 0 310.363 3.083 10 30 DGEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116289583 431498659 /nfs/dbraw/zinc/49/86/59/431498659.db2.gz DZIXXFURIDJGEW-INIZCTEOSA-N 1 0 309.369 3.317 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000076734261 431560867 /nfs/dbraw/zinc/56/08/67/431560867.db2.gz WNLMSCTVKLNJAN-CYBMUJFWSA-N 1 0 310.388 3.382 10 30 DGEERO C=CCCC[N@@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000077176922 431571288 /nfs/dbraw/zinc/57/12/88/431571288.db2.gz LANMWXPUTGDXJI-UHFFFAOYSA-N 1 0 317.389 3.152 10 30 DGEERO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000118398401 431603549 /nfs/dbraw/zinc/60/35/49/431603549.db2.gz NGFAFHUPFBZBDV-HNNXBMFYSA-N 1 0 308.429 3.307 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000119282364 431670294 /nfs/dbraw/zinc/67/02/94/431670294.db2.gz VGTQDXGHBMKMLA-MSOLQXFVSA-N 1 0 304.478 3.360 10 30 DGEERO C=CCOc1ccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1 ZINC000121185669 431750460 /nfs/dbraw/zinc/75/04/60/431750460.db2.gz YNGRACPGVROWKC-UHFFFAOYSA-N 1 0 318.461 3.282 10 30 DGEERO Cc1cccc[n+]1CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000029233121 431717408 /nfs/dbraw/zinc/71/74/08/431717408.db2.gz MEMGVBMJJCDVJR-HNNXBMFYSA-N 1 0 313.446 3.200 10 30 DGEERO C=CCC[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000119902292 431719601 /nfs/dbraw/zinc/71/96/01/431719601.db2.gz RZTXUMRAAVRZHR-FQEVSTJZSA-N 1 0 314.473 3.353 10 30 DGEERO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000122786026 431844191 /nfs/dbraw/zinc/84/41/91/431844191.db2.gz CSEMBJLATBYBPC-IBGZPJMESA-N 1 0 323.440 3.386 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)n2c1 ZINC000123252689 431860161 /nfs/dbraw/zinc/86/01/61/431860161.db2.gz HIJJSYDZZHGKSG-OLZOCXBDSA-N 1 0 322.334 3.417 10 30 DGEERO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000041888302 431861314 /nfs/dbraw/zinc/86/13/14/431861314.db2.gz WJUZLLYOIUWDGP-UHFFFAOYSA-N 1 0 311.360 3.158 10 30 DGEERO C#CCCOc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810878 431911463 /nfs/dbraw/zinc/91/14/63/431911463.db2.gz BJRVGLAHLLSMAQ-UHFFFAOYSA-N 1 0 309.413 3.191 10 30 DGEERO C=CCOc1ccc(CN2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000093692750 431916970 /nfs/dbraw/zinc/91/69/70/431916970.db2.gz GOHQERGITXUPRH-SFHVURJKSA-N 1 0 302.462 3.415 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CCOC3CCCCCC3)n2c1 ZINC000123822300 431874852 /nfs/dbraw/zinc/87/48/52/431874852.db2.gz MAFBEYWIFVRJMY-UHFFFAOYSA-N 1 0 312.417 3.035 10 30 DGEERO CC[N@@H+]1CC[C@@H](N(C)CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000125786510 431936118 /nfs/dbraw/zinc/93/61/18/431936118.db2.gz JKMHUVOCLQPBPF-CRAIPNDOSA-N 1 0 304.865 3.354 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000126688377 431956202 /nfs/dbraw/zinc/95/62/02/431956202.db2.gz DSYLMEVQYAXYNL-HUUCEWRRSA-N 1 0 304.409 3.374 10 30 DGEERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000151863303 432283195 /nfs/dbraw/zinc/28/31/95/432283195.db2.gz IBOKRHXXHADKSC-QAPCUYQASA-N 1 0 321.424 3.496 10 30 DGEERO CC1CC[NH+](C[C@H]2CCCN(CC#Cc3ccccc3)C2)CC1 ZINC000191975224 432320018 /nfs/dbraw/zinc/32/00/18/432320018.db2.gz WCOMDWMTCOOOAR-NRFANRHFSA-N 1 0 310.485 3.482 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1F ZINC000192034394 432325286 /nfs/dbraw/zinc/32/52/86/432325286.db2.gz HHQSDWMVLREFJI-HNNXBMFYSA-N 1 0 310.376 3.026 10 30 DGEERO CN(CC#Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192049870 432328098 /nfs/dbraw/zinc/32/80/98/432328098.db2.gz LPIYTVOCTJTYRU-JOCHJYFZSA-N 1 0 318.464 3.492 10 30 DGEERO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccc(C#N)cc1 ZINC000173981240 432312892 /nfs/dbraw/zinc/31/28/92/432312892.db2.gz QGHBEQRHIWXJCM-JXFKEZNVSA-N 1 0 307.441 3.382 10 30 DGEERO CCc1cccc(CC)c1NC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249947110 432363109 /nfs/dbraw/zinc/36/31/09/432363109.db2.gz UQUAVHZHLQPREY-XHSDSOJGSA-N 1 0 301.434 3.106 10 30 DGEERO C=C[C@H](CC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000153676303 432431307 /nfs/dbraw/zinc/43/13/07/432431307.db2.gz ABNMOKYNDOGEMF-DLBZAZTESA-N 1 0 300.446 3.337 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000263225973 432527756 /nfs/dbraw/zinc/52/77/56/432527756.db2.gz GNCFUNNOEZCTFL-MRXNPFEDSA-N 1 0 312.417 3.152 10 30 DGEERO Cc1cccc(N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)n1 ZINC000176971507 432571001 /nfs/dbraw/zinc/57/10/01/432571001.db2.gz AUXZAIICMIKXLJ-UHFFFAOYSA-N 1 0 312.442 3.082 10 30 DGEERO C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000176964313 432571305 /nfs/dbraw/zinc/57/13/05/432571305.db2.gz PQRYLBNBPFMNJE-LLVKDONJSA-N 1 0 309.435 3.013 10 30 DGEERO C=C(C)CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000156502174 432598756 /nfs/dbraw/zinc/59/87/56/432598756.db2.gz SVTMELJSYHDLQL-UHFFFAOYSA-N 1 0 301.434 3.048 10 30 DGEERO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccs1 ZINC000195485299 432624711 /nfs/dbraw/zinc/62/47/11/432624711.db2.gz CLCUOEYTUZSRPY-AWEZNQCLSA-N 1 0 313.426 3.346 10 30 DGEERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(C#N)cn3C)c2C1 ZINC000158296791 432641231 /nfs/dbraw/zinc/64/12/31/432641231.db2.gz ZABRPWIUKIQNQO-UHFFFAOYSA-N 1 0 322.412 3.121 10 30 DGEERO COc1ccccc1CC[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000159860541 432698769 /nfs/dbraw/zinc/69/87/69/432698769.db2.gz NKVZBVKJHRVJLA-UHFFFAOYSA-N 1 0 310.397 3.250 10 30 DGEERO C[NH+]1CCC(Oc2ccc(NCc3cccc(C#N)c3)cn2)CC1 ZINC000160142256 432708691 /nfs/dbraw/zinc/70/86/91/432708691.db2.gz BSJJGAVKWUKHHR-UHFFFAOYSA-N 1 0 322.412 3.038 10 30 DGEERO C=C[C@H](CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000160246990 432712681 /nfs/dbraw/zinc/71/26/81/432712681.db2.gz DWROFNNPOSSKRN-SJLPKXTDSA-N 1 0 302.462 3.439 10 30 DGEERO COc1ccc(C#N)cc1CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000159207751 432674164 /nfs/dbraw/zinc/67/41/64/432674164.db2.gz HUCQDIFELYDPJP-SFHVURJKSA-N 1 0 312.369 3.042 10 30 DGEERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000267265385 432827633 /nfs/dbraw/zinc/82/76/33/432827633.db2.gz LDPSZFNYVUXFAX-BEFAXECRSA-N 1 0 309.413 3.151 10 30 DGEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000162922194 432837579 /nfs/dbraw/zinc/83/75/79/432837579.db2.gz UHTJOEOZNFTHLQ-XJKSGUPXSA-N 1 0 303.837 3.270 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000162048751 432811075 /nfs/dbraw/zinc/81/10/75/432811075.db2.gz JAOLCJXXDAPYRD-UHFFFAOYSA-N 1 0 323.396 3.059 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc(OC)c1O ZINC000189721274 432814092 /nfs/dbraw/zinc/81/40/92/432814092.db2.gz HRCODFMJMOZXAC-OAHLLOKOSA-N 1 0 305.418 3.177 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000245735965 432859928 /nfs/dbraw/zinc/85/99/28/432859928.db2.gz KSXOVUMSJICXDJ-KDOFPFPSSA-N 1 0 310.401 3.428 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(OCC#N)cc1 ZINC000245866566 432866644 /nfs/dbraw/zinc/86/66/44/432866644.db2.gz IPWRKOXTVGKITJ-LIRZEXBASA-N 1 0 300.402 3.197 10 30 DGEERO C=C(CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000288131267 432888666 /nfs/dbraw/zinc/88/86/66/432888666.db2.gz XJWUCSGRYURUSY-SJLPKXTDSA-N 1 0 315.461 3.072 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000163533369 432855635 /nfs/dbraw/zinc/85/56/35/432855635.db2.gz PLJTVDHXSQHFKC-UHFFFAOYSA-N 1 0 321.424 3.071 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000330269145 432900784 /nfs/dbraw/zinc/90/07/84/432900784.db2.gz RSLNMWACECQGSQ-JBCWJZNQSA-N 1 0 310.344 3.098 10 30 DGEERO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000330258840 432901216 /nfs/dbraw/zinc/90/12/16/432901216.db2.gz MUKWMIAOWZYDEV-QRTARXTBSA-N 1 0 302.418 3.437 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000330272736 432902068 /nfs/dbraw/zinc/90/20/68/432902068.db2.gz YBNJWRDYMGCSLI-AMFBXLIHSA-N 1 0 310.344 3.098 10 30 DGEERO C=C(C)C[C@@H](C)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000289951934 432980627 /nfs/dbraw/zinc/98/06/27/432980627.db2.gz BLYUXEHAJUJDLC-CYBMUJFWSA-N 1 0 316.405 3.142 10 30 DGEERO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1OC(F)F ZINC000185770852 533692526 /nfs/dbraw/zinc/69/25/26/533692526.db2.gz GTBLUGKTYYKDHR-WCQYABFASA-N 1 0 310.344 3.469 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000298059276 433043756 /nfs/dbraw/zinc/04/37/56/433043756.db2.gz DWXUUGYSQDZDSB-LSDHHAIUSA-N 1 0 304.434 3.159 10 30 DGEERO C=C(C)COc1cc(C[N@@H+](CC)[C@H]2CCOC2)ccc1OC ZINC000361251629 433059084 /nfs/dbraw/zinc/05/90/84/433059084.db2.gz MUJFOGMLZKYXPM-INIZCTEOSA-N 1 0 305.418 3.261 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCC3)C[C@H]2C)CC1 ZINC000372969304 433070992 /nfs/dbraw/zinc/07/09/92/433070992.db2.gz WTDPBEFITARIQZ-OAHLLOKOSA-N 1 0 305.466 3.001 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446711496 433083051 /nfs/dbraw/zinc/08/30/51/433083051.db2.gz MRJDKPJYXMTJMQ-XLIONFOSSA-N 1 0 312.457 3.239 10 30 DGEERO C=CCC[C@@H](CO)[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453352109 433114068 /nfs/dbraw/zinc/11/40/68/433114068.db2.gz KVXXRYHFZADFAR-YJBOKZPZSA-N 1 0 311.429 3.166 10 30 DGEERO C=CCN(CC=C)C(=O)CN1CC[C@](F)(c2ccccc2C)C1 ZINC000337429905 433232960 /nfs/dbraw/zinc/23/29/60/433232960.db2.gz AUENUFSHTGYVOD-LJQANCHMSA-N 1 0 316.420 3.066 10 30 DGEERO C=CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1OC ZINC000291366436 433233400 /nfs/dbraw/zinc/23/34/00/433233400.db2.gz YYCAUFMLFQPAKB-MRXNPFEDSA-N 1 0 305.418 3.259 10 30 DGEERO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447584890 433236075 /nfs/dbraw/zinc/23/60/75/433236075.db2.gz HIDNGAKWVQLNDZ-MOPGFXCFSA-N 1 0 319.408 3.404 10 30 DGEERO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(C#N)cc1F ZINC000447600483 433245939 /nfs/dbraw/zinc/24/59/39/433245939.db2.gz MGWNNLHOUNUMFY-CZUORRHYSA-N 1 0 301.409 3.365 10 30 DGEERO C=C(CC)CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000454196449 433318132 /nfs/dbraw/zinc/31/81/32/433318132.db2.gz QIXCVCKSFVOWSK-UHFFFAOYSA-N 1 0 315.461 3.438 10 30 DGEERO C=CCc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc(OC)c1O ZINC000375300375 433419091 /nfs/dbraw/zinc/41/90/91/433419091.db2.gz AGVMPPLZZJOHNC-IBGZPJMESA-N 1 0 317.429 3.132 10 30 DGEERO C=C(C)COc1cc(CNc2[nH+]ccn2CC)ccc1OC ZINC000414296180 433522044 /nfs/dbraw/zinc/52/20/44/433522044.db2.gz GLRAFQDIIAVMDM-UHFFFAOYSA-N 1 0 301.390 3.479 10 30 DGEERO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000448809607 433562510 /nfs/dbraw/zinc/56/25/10/433562510.db2.gz JSJQQENAEGAIFY-KRWDZBQOSA-N 1 0 300.446 3.370 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2CCO[C@H](CC)C2)cc(OC)c1O ZINC000421395158 433542737 /nfs/dbraw/zinc/54/27/37/433542737.db2.gz YHVOLSACMXSHLM-HZPDHXFCSA-N 1 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WSUAABZWWYOMQN-KBPBESRZSA-N 1 0 307.463 3.034 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000499255281 340033545 /nfs/dbraw/zinc/03/35/45/340033545.db2.gz MYVHXITXQKLUSK-QZTJIDSGSA-N 1 0 303.446 3.480 10 30 DGEERO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CCc2ccccc2)C1=O ZINC000499594409 340040155 /nfs/dbraw/zinc/04/01/55/340040155.db2.gz SVYYRSWQXATZSL-MOPGFXCFSA-N 1 0 312.457 3.261 10 30 DGEERO C=C(C)CC[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000510775791 340310622 /nfs/dbraw/zinc/31/06/22/340310622.db2.gz GMVDXPLHYYRSTC-UHFFFAOYSA-N 1 0 324.424 3.271 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000516874307 340457670 /nfs/dbraw/zinc/45/76/70/340457670.db2.gz WYLJZJFRADEDBT-INIZCTEOSA-N 1 0 323.440 3.486 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000521600887 340525932 /nfs/dbraw/zinc/52/59/32/340525932.db2.gz OWPRBSXOWWTWTB-RYQLBKOJSA-N 1 0 321.509 3.397 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000542258253 341002413 /nfs/dbraw/zinc/00/24/13/341002413.db2.gz NJHXAMUYMUILKA-MRXNPFEDSA-N 1 0 305.466 3.025 10 30 DGEERO C=CCC[N@@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000133105063 341154848 /nfs/dbraw/zinc/15/48/48/341154848.db2.gz XCKCLNLOUXSHOL-UHFFFAOYSA-N 1 0 302.466 3.350 10 30 DGEERO C=CC[N@@H+](CCCSCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000074989333 341159071 /nfs/dbraw/zinc/15/90/71/341159071.db2.gz BEQGWYABBFDGKZ-UHFFFAOYSA-N 1 0 305.403 3.230 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000546717923 341180067 /nfs/dbraw/zinc/18/00/67/341180067.db2.gz FRUMVJMRXDBGOY-UHFFFAOYSA-N 1 0 317.429 3.023 10 30 DGEERO C=CCCc1ccccc1NC(=O)c1ccc(-n2ccnc2)nn1 ZINC000548876753 341279349 /nfs/dbraw/zinc/27/93/49/341279349.db2.gz IQDTYSGLBGIXLQ-UHFFFAOYSA-N 1 0 319.368 3.033 10 30 DGEERO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000247398651 341364079 /nfs/dbraw/zinc/36/40/79/341364079.db2.gz QXJUSIBDBBBKRQ-QFBILLFUSA-N 1 0 315.461 3.187 10 30 DGEERO CO[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1C ZINC000249139893 341394493 /nfs/dbraw/zinc/39/44/93/341394493.db2.gz FKVVQQZIZVADNC-CRAIPNDOSA-N 1 0 302.418 3.226 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000577818083 341939313 /nfs/dbraw/zinc/93/93/13/341939313.db2.gz OZLSEKZPBAZMPX-CVEARBPZSA-N 1 0 314.385 3.173 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc(OC)c1O ZINC000449687806 534412857 /nfs/dbraw/zinc/41/28/57/534412857.db2.gz RFGVYILGNDFAQX-IBGZPJMESA-N 1 0 317.429 3.132 10 30 DGEERO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000127498913 534548932 /nfs/dbraw/zinc/54/89/32/534548932.db2.gz ZOSDOVHKKIOZEN-OBJOEFQTSA-N 1 0 317.433 3.463 10 30 DGEERO N#CCCCOc1cccc(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000179729704 534615945 /nfs/dbraw/zinc/61/59/45/534615945.db2.gz VUXWIQIEWAUQMD-UHFFFAOYSA-N 1 0 313.445 3.039 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000449258739 534696240 /nfs/dbraw/zinc/69/62/40/534696240.db2.gz QRQRJWKWPKKECQ-MRXNPFEDSA-N 1 0 303.450 3.143 10 30 DGEERO C=CCN(CCC[NH+]1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000444569662 526272599 /nfs/dbraw/zinc/27/25/99/526272599.db2.gz FYEQKZJDKIVZSF-UHFFFAOYSA-N 1 0 317.433 3.459 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000431633282 526599229 /nfs/dbraw/zinc/59/92/29/526599229.db2.gz BQUHMXCANNNLCA-ZYSHUDEJSA-N 1 0 312.457 3.193 10 30 DGEERO N#Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000160180814 526610261 /nfs/dbraw/zinc/61/02/61/526610261.db2.gz VRSZXBLFVZLVJA-INIZCTEOSA-N 1 0 312.369 3.038 10 30 DGEERO C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000352542982 526632831 /nfs/dbraw/zinc/63/28/31/526632831.db2.gz ASJWEJPMSNLXCE-SUMWQHHRSA-N 1 0 322.399 3.239 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000185315497 526694202 /nfs/dbraw/zinc/69/42/02/526694202.db2.gz ZHLPDWQMLJKRFC-MRXNPFEDSA-N 1 0 313.445 3.051 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000342011204 526710440 /nfs/dbraw/zinc/71/04/40/526710440.db2.gz XYCFXIVGUSPAOZ-INIZCTEOSA-N 1 0 322.493 3.129 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000185396469 526711084 /nfs/dbraw/zinc/71/10/84/526711084.db2.gz ITFJLQKQOLKZDU-HOCLYGCPSA-N 1 0 304.434 3.443 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000185590417 526713956 /nfs/dbraw/zinc/71/39/56/526713956.db2.gz VTVNPHWGFHOGTG-JZXOWHBKSA-N 1 0 315.461 3.011 10 30 DGEERO C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358949494 526738059 /nfs/dbraw/zinc/73/80/59/526738059.db2.gz HGLAVISDFJGZOZ-GDBMZVCRSA-N 1 0 317.481 3.041 10 30 DGEERO C=CCOCC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000339175104 526782472 /nfs/dbraw/zinc/78/24/72/526782472.db2.gz NYEDVBZTBWXQNP-MSOLQXFVSA-N 1 0 324.415 3.281 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000353286926 526782641 /nfs/dbraw/zinc/78/26/41/526782641.db2.gz PLJBSWKZASFPPX-APWZRJJASA-N 1 0 311.429 3.158 10 30 DGEERO C=CCOc1ccc(CN2CC[NH+](C3CC3)CC2)cc1Cl ZINC000349872496 526869728 /nfs/dbraw/zinc/86/97/28/526869728.db2.gz INHXRRHQOLPOSZ-UHFFFAOYSA-N 1 0 306.837 3.185 10 30 DGEERO C=CCOc1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000349019905 526871294 /nfs/dbraw/zinc/87/12/94/526871294.db2.gz BDIUHUQSNCYIRR-LPHOPBHVSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000359809123 526950068 /nfs/dbraw/zinc/95/00/68/526950068.db2.gz YRPUEHGKDXOIQS-GOSISDBHSA-N 1 0 315.388 3.084 10 30 DGEERO C=CC[C@@H](CO)Nc1cc[nH+]c2cc(OCC)c(OCC)cc12 ZINC000182662272 527103548 /nfs/dbraw/zinc/10/35/48/527103548.db2.gz XGGWNOJHOVPROA-ZDUSSCGKSA-N 1 0 316.401 3.381 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC000295131269 527106207 /nfs/dbraw/zinc/10/62/07/527106207.db2.gz YLHWWKWTKAVKQX-UYAOXDASSA-N 1 0 322.408 3.104 10 30 DGEERO C=CCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000363181709 527181082 /nfs/dbraw/zinc/18/10/82/527181082.db2.gz GHWXVAZBLXGJTF-UHFFFAOYSA-N 1 0 300.446 3.323 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000076738135 527192655 /nfs/dbraw/zinc/19/26/55/527192655.db2.gz AMVSLODSFDBFEV-UHFFFAOYSA-N 1 0 313.445 3.448 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000349750903 527210478 /nfs/dbraw/zinc/21/04/78/527210478.db2.gz XSVSONRFXOPWKC-MWLCHTKSSA-N 1 0 302.187 3.176 10 30 DGEERO C=CCCC[C@@H](C)[NH2+][C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000361085685 527271907 /nfs/dbraw/zinc/27/19/07/527271907.db2.gz FQRVJOYHKMLUBW-CJNGLKHVSA-N 1 0 310.463 3.120 10 30 DGEERO C=CCC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000189371208 527422858 /nfs/dbraw/zinc/42/28/58/527422858.db2.gz JNOMMPJRTINTBD-GOSISDBHSA-N 1 0 300.446 3.289 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415668213 527506838 /nfs/dbraw/zinc/50/68/38/527506838.db2.gz BXNQYXJUZMEJRJ-CALCHBBNSA-N 1 0 313.445 3.269 10 30 DGEERO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000135654886 527572678 /nfs/dbraw/zinc/57/26/78/527572678.db2.gz AYEBZEPXHQIAJQ-JZXOWHBKSA-N 1 0 300.446 3.287 10 30 DGEERO CC(C)Oc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccn1 ZINC000330071673 528095755 /nfs/dbraw/zinc/09/57/55/528095755.db2.gz YJMKREGCKCDGMI-UHFFFAOYSA-N 1 0 317.433 3.190 10 30 DGEERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000133782845 528231230 /nfs/dbraw/zinc/23/12/30/528231230.db2.gz WEGILGUEZYVXQS-DOTOQJQBSA-N 1 0 316.449 3.061 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000131408649 545957554 /nfs/dbraw/zinc/95/75/54/545957554.db2.gz UZCRADBKFNTZSB-LSDHHAIUSA-N 1 0 304.434 3.063 10 30 DGEERO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000181731343 546160596 /nfs/dbraw/zinc/16/05/96/546160596.db2.gz ZVDGSNCEXXTREX-CQSZACIVSA-N 1 0 311.356 3.299 10 30 DGEERO CC(C)Nc1ncccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329622219 546488280 /nfs/dbraw/zinc/48/82/80/546488280.db2.gz HEMPHQLLFYGLQK-CQSZACIVSA-N 1 0 316.449 3.223 10 30 DGEERO C=CCOc1cccc(C[NH2+]Cc2ccnc(-n3ccnc3)c2)c1 ZINC000731451169 574549785 /nfs/dbraw/zinc/54/97/85/574549785.db2.gz ATHCXMVAISJEJR-UHFFFAOYSA-N 1 0 320.396 3.122 10 30 DGEERO C#CCCOc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000733322646 574615333 /nfs/dbraw/zinc/61/53/33/574615333.db2.gz AAFQDQCPRFMFKJ-GOSISDBHSA-N 1 0 323.392 3.018 10 30 DGEERO C#CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000733639450 574633281 /nfs/dbraw/zinc/63/32/81/574633281.db2.gz DHRDBDUFVMYCCW-MRXNPFEDSA-N 1 0 321.852 3.045 10 30 DGEERO C#CCOc1ccccc1C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000734159580 574653405 /nfs/dbraw/zinc/65/34/05/574653405.db2.gz RCTBJMGGUMCJEB-UHFFFAOYSA-N 1 0 301.773 3.347 10 30 DGEERO N#CCOc1ccc(Cl)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000735308869 574696637 /nfs/dbraw/zinc/69/66/37/574696637.db2.gz WSBUIQPPVLITFU-CYBMUJFWSA-N 1 0 320.820 3.243 10 30 DGEERO CCOC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311468 574696819 /nfs/dbraw/zinc/69/68/19/574696819.db2.gz QNHVIIJBDJKSCX-AWEZNQCLSA-N 1 0 322.836 3.491 10 30 DGEERO N#CCOc1ccc(Cl)cc1C[N@@H+](CCO)C1CCCCC1 ZINC000735311083 574697244 /nfs/dbraw/zinc/69/72/44/574697244.db2.gz JLQXCNFKARUTGA-UHFFFAOYSA-N 1 0 322.836 3.369 10 30 DGEERO C#CC[NH+]1CCC(C(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000735447111 574702083 /nfs/dbraw/zinc/70/20/83/574702083.db2.gz AMTKLBCRZANKRW-UHFFFAOYSA-N 1 0 316.489 3.197 10 30 DGEERO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000742368809 574993006 /nfs/dbraw/zinc/99/30/06/574993006.db2.gz OULUNDIXCFUGLR-CYBMUJFWSA-N 1 0 308.381 3.353 10 30 DGEERO C=CCc1cc(OCC)cc(C[NH+]2CCC([C@H](C)O)CC2)c1O ZINC000118946435 621591755 /nfs/dbraw/zinc/59/17/55/621591755.db2.gz QTGKJWWPOZISLP-AWEZNQCLSA-N 1 0 319.445 3.112 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CSc2ccccc21 ZINC000121669942 622170861 /nfs/dbraw/zinc/17/08/61/622170861.db2.gz ZSXLIWQMEZREMC-HOCLYGCPSA-N 1 0 317.454 3.153 10 30 DGEERO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000124038236 622882799 /nfs/dbraw/zinc/88/27/99/622882799.db2.gz VDYGZOVPJBBEIV-QAPCUYQASA-N 1 0 304.434 3.254 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCCn2cnc3ccccc32)c1 ZINC000104156602 627411234 /nfs/dbraw/zinc/41/12/34/627411234.db2.gz OAQLQZFWXBQXNQ-UHFFFAOYSA-N 1 0 307.401 3.162 10 30 DGEERO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000702235449 660716816 /nfs/dbraw/zinc/71/68/16/660716816.db2.gz AECQCYOHFFLOFB-KFWWJZLASA-N 1 0 308.466 3.269 10 30 DGEERO C#CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000709393748 660928137 /nfs/dbraw/zinc/92/81/37/660928137.db2.gz VMAQYMWZRVZCRQ-JJXSEGSLSA-N 1 0 306.450 3.166 10 30 DGEERO C[C@@](O)(C[N@@H+]1CCCC(F)(F)CC1)C(F)(F)C(F)(F)F ZINC000724115935 655744247 /nfs/dbraw/zinc/74/42/47/655744247.db2.gz UOOBPYBQNACKDY-MRVPVSSYSA-N 1 0 311.241 3.056 10 30 DGEERO C#CCCCCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162409685 656143023 /nfs/dbraw/zinc/14/30/23/656143023.db2.gz WXLYSYUYYMPQLU-HXUWFJFHSA-N 1 0 312.457 3.351 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1cc(Br)ccc1Cl ZINC000716932879 661234077 /nfs/dbraw/zinc/23/40/77/661234077.db2.gz FUVRWPSEMPXEDV-LBPRGKRZSA-N 1 0 316.626 3.230 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1ccc(Cl)cc1Br ZINC000716937260 661234342 /nfs/dbraw/zinc/23/43/42/661234342.db2.gz UOFXEOMKNIENIK-LBPRGKRZSA-N 1 0 316.626 3.230 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164239963 657291844 /nfs/dbraw/zinc/29/18/44/657291844.db2.gz DXDNRPSHHLYSOJ-MJBXVCDLSA-N 1 0 310.463 3.309 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(C)c(C(C)=O)c1 ZINC000192861051 657380665 /nfs/dbraw/zinc/38/06/65/657380665.db2.gz YJWMCXLZVAURFF-HNNXBMFYSA-N 1 0 315.413 3.088 10 30 DGEERO CCNC(NCc1ccc(Br)cc1Cl)=[NH+]CC ZINC000303364298 657530554 /nfs/dbraw/zinc/53/05/54/657530554.db2.gz FSAYHVVOPDRPGO-UHFFFAOYSA-N 1 0 318.646 3.178 10 30 DGEERO [NH2+]=C(NCC1CCC(C(F)(F)F)CC1)Nc1ccccn1 ZINC000262409316 657552413 /nfs/dbraw/zinc/55/24/13/657552413.db2.gz LELKDAGPJXNBAN-UHFFFAOYSA-N 1 0 300.328 3.177 10 30 DGEERO CC(C)CNC(=[NH2+])NCc1ccccc1OCc1ccccc1 ZINC000303864737 657567914 /nfs/dbraw/zinc/56/79/14/657567914.db2.gz BDVIJAKTJIGQCA-UHFFFAOYSA-N 1 0 311.429 3.326 10 30 DGEERO C[C@H](CNC(=[NH2+])NC1CCCCC1)Oc1ccccc1Cl ZINC000304449796 657634920 /nfs/dbraw/zinc/63/49/20/657634920.db2.gz MZLVCNINEKZKGH-GFCCVEGCSA-N 1 0 309.841 3.344 10 30 DGEERO CCc1cccc(NC(=[NH2+])NCCc2cc(F)ccc2F)c1 ZINC000304468450 657635021 /nfs/dbraw/zinc/63/50/21/657635021.db2.gz CGZNJJPPLFAZQS-UHFFFAOYSA-N 1 0 303.356 3.497 10 30 DGEERO CC(C)CCC[C@H](C)NC(=[NH2+])NCc1nccn1CC(C)C ZINC000304740589 657646224 /nfs/dbraw/zinc/64/62/24/657646224.db2.gz BTEQYGAHFJQKRI-HNNXBMFYSA-N 1 0 307.486 3.158 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](C)Oc2ccccc2F)c1 ZINC000304798937 657651556 /nfs/dbraw/zinc/65/15/56/657651556.db2.gz NWFIPOMZZSEZRX-ZDUSSCGKSA-N 1 0 301.365 3.328 10 30 DGEERO Cc1cccc([C@@H](C)CNC(=[NH2+])NCCc2cccs2)c1 ZINC000304813908 657654703 /nfs/dbraw/zinc/65/47/03/657654703.db2.gz ZGTGDVAGHHFGJF-AWEZNQCLSA-N 1 0 301.459 3.307 10 30 DGEERO [NH2+]=C(NCc1cccc(-c2ccccn2)c1)N1CCCCCC1 ZINC000305266492 657699618 /nfs/dbraw/zinc/69/96/18/657699618.db2.gz YZDFQKLGDHHMTH-UHFFFAOYSA-N 1 0 308.429 3.439 10 30 DGEERO COc1ccc(C(C)(C)CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000303972561 657699922 /nfs/dbraw/zinc/69/99/22/657699922.db2.gz FZRHXRWJZMCKAC-UHFFFAOYSA-N 1 0 303.450 3.210 10 30 DGEERO CC(C)COc1ccc(C(C)(C)CNC(=[NH2+])NC2CC2)cc1 ZINC000303989466 657701477 /nfs/dbraw/zinc/70/14/77/657701477.db2.gz KNDCZDNANMKTKS-UHFFFAOYSA-N 1 0 303.450 3.066 10 30 DGEERO CCO[C@@H](CCNC(=[NH2+])NCCc1cccs1)C1CCCC1 ZINC000304484422 657709793 /nfs/dbraw/zinc/70/97/93/657709793.db2.gz JMFJDLADCHIUSC-INIZCTEOSA-N 1 0 323.506 3.180 10 30 DGEERO C[C@H]1Cc2cc(-c3ccc(CNC(=[NH2+])NC4CC4)cc3)ccc2O1 ZINC000305432731 657726311 /nfs/dbraw/zinc/72/63/11/657726311.db2.gz FUMDXUKQWLDGFW-ZDUSSCGKSA-N 1 0 321.424 3.244 10 30 DGEERO CCc1nc(CNC(NC2CCC(C)(C)CC2)=[NH+]C)cs1 ZINC000262781880 658030174 /nfs/dbraw/zinc/03/01/74/658030174.db2.gz LIJUQQIXRZMHLS-UHFFFAOYSA-N 1 0 308.495 3.339 10 30 DGEERO CCc1nc(CNC(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)=[NH+]C)cs1 ZINC000262796161 658036499 /nfs/dbraw/zinc/03/64/99/658036499.db2.gz PNYWMQUOSRDMPX-MELADBBJSA-N 1 0 320.506 3.339 10 30 DGEERO COc1cccc(NC(=[NH2+])NCCc2cc(F)c(F)c(F)c2)c1 ZINC000305877825 658077506 /nfs/dbraw/zinc/07/75/06/658077506.db2.gz SEJAAJXPFOIOGV-UHFFFAOYSA-N 1 0 323.318 3.082 10 30 DGEERO CC[NH+]=C(NCCc1ccc2ccccc2n1)NC1CCCC1 ZINC000263108268 658135965 /nfs/dbraw/zinc/13/59/65/658135965.db2.gz DFAZBWSFPUZXLS-UHFFFAOYSA-N 1 0 310.445 3.275 10 30 DGEERO CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CC12CCSCC2 ZINC000263167890 658164239 /nfs/dbraw/zinc/16/42/39/658164239.db2.gz RNSGNNCFCFAJEC-INIZCTEOSA-N 1 0 317.502 3.227 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cc2nc(C)ccc2o1 ZINC000179182001 658376103 /nfs/dbraw/zinc/37/61/03/658376103.db2.gz VOVXSEFGSMKYPL-AWEZNQCLSA-N 1 0 314.385 3.027 10 30 DGEERO C#CCCCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000229676592 659274547 /nfs/dbraw/zinc/27/45/47/659274547.db2.gz WEOUYWAUAGWMSL-LBPRGKRZSA-N 1 0 316.228 3.126 10 30 DGEERO CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000230974031 659361868 /nfs/dbraw/zinc/36/18/68/659361868.db2.gz IOLQSCPJTABZNX-UONOGXRCSA-N 1 0 309.454 3.304 10 30 DGEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262788167 659897531 /nfs/dbraw/zinc/89/75/31/659897531.db2.gz KDSURTOZFUONGB-LSDHHAIUSA-N 1 0 319.861 3.404 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000446840193 660053707 /nfs/dbraw/zinc/05/37/07/660053707.db2.gz DUGCSYYDKOGKOD-QGZVFWFLSA-N 1 0 311.429 3.365 10 30 DGEERO C#CCN(Cc1nc(Cc2ccccc2C)no1)C1CCCC1 ZINC000155928112 661855315 /nfs/dbraw/zinc/85/53/15/661855315.db2.gz QTMPXLPLNSKKFH-UHFFFAOYSA-N 1 0 309.413 3.347 10 30 DGEERO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000189731704 661989030 /nfs/dbraw/zinc/98/90/30/661989030.db2.gz KIBZAOIIZOZPEV-KRWDZBQOSA-N 1 0 301.434 3.084 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000076738196 661995799 /nfs/dbraw/zinc/99/57/99/661995799.db2.gz JPJDJRIOLRSLOL-UHFFFAOYSA-N 1 0 311.769 3.085 10 30 DGEERO Oc1ccccc1C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCCO1 ZINC000192102151 662087262 /nfs/dbraw/zinc/08/72/62/662087262.db2.gz BLRSTEPOWNZALE-FQEVSTJZSA-N 1 0 321.420 3.425 10 30 DGEERO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000246068351 662246692 /nfs/dbraw/zinc/24/66/92/662246692.db2.gz RVEFPFMLBPFCPO-OXQOHEQNSA-N 1 0 308.425 3.463 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)/C=C/c1ccnc(Cl)c1 ZINC000092716141 662334759 /nfs/dbraw/zinc/33/47/59/662334759.db2.gz XOZMHHZRFNCNMZ-VFNNOXKTSA-N 1 0 320.820 3.025 10 30 DGEERO C#CCCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000093585719 662357654 /nfs/dbraw/zinc/35/76/54/662357654.db2.gz QLTKIIQPUJTDLT-QUCCMNQESA-N 1 0 313.441 3.216 10 30 DGEERO C#CCN(C)CCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000328274782 1176639358 /nfs/dbraw/zinc/63/93/58/1176639358.db2.gz OGSQAKOWXPLDSV-UHFFFAOYSA-N 1 0 306.453 3.363 10 30 DGEERO CC1=CC[N@H+](CCNC(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000329184336 1176997100 /nfs/dbraw/zinc/99/71/00/1176997100.db2.gz OGVUKVXLKMCAHC-HNNXBMFYSA-N 1 0 313.401 3.370 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085366876 1177712559 /nfs/dbraw/zinc/71/25/59/1177712559.db2.gz FHJUFROUZAZLBL-QWHCGFSZSA-N 1 0 312.866 3.434 10 30 DGEERO C=CCNC(=O)C[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000393851660 1197720426 /nfs/dbraw/zinc/72/04/26/1197720426.db2.gz LXEPJQVPDFFKMR-UHFFFAOYSA-N 1 0 321.424 3.206 10 30 DGEERO C=CC[C@H](C)[NH2+]Cc1ccc(I)cc1 ZINC000122270007 1199142752 /nfs/dbraw/zinc/14/27/52/1199142752.db2.gz LOKYCCANZSUDBW-JTQLQIEISA-N 1 0 301.171 3.345 10 30 DGEERO C=CC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401957448 1199427099 /nfs/dbraw/zinc/42/70/99/1199427099.db2.gz QELKAYMDPQOEEU-DLBZAZTESA-N 1 0 302.418 3.342 10 30 DGEERO C=CCc1cc(C[NH2+][C@H](CC)[C@H]2CCCO2)cc(OC)c1O ZINC000119787823 1200118657 /nfs/dbraw/zinc/11/86/57/1200118657.db2.gz FUZCVSKVGFYJTP-HZPDHXFCSA-N 1 0 305.418 3.177 10 30 DGEERO CC(C)[N@@H+]1CC[C@H](CNc2cc(Br)ccc2C#N)C1 ZINC000123223191 1200275535 /nfs/dbraw/zinc/27/55/35/1200275535.db2.gz MOSFEBWUDDHCLJ-GFCCVEGCSA-N 1 0 322.250 3.463 10 30 DGEERO N#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1Br ZINC000231845521 1202600303 /nfs/dbraw/zinc/60/03/03/1202600303.db2.gz MWQIJYZVXVUWPT-JTQLQIEISA-N 1 0 324.197 3.108 10 30 DGEERO CN(Cc1ccc(Cl)s1)C(=O)C[N+](C)(C)C1CCCC1 ZINC000029414330 717118891 /nfs/dbraw/zinc/11/88/91/717118891.db2.gz WEQZKTUNPVBNJY-UHFFFAOYSA-N 1 0 315.890 3.379 10 30 DGEERO C#CCCCCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000723998751 1106527590 /nfs/dbraw/zinc/52/75/90/1106527590.db2.gz JKYASDSXXQVQDV-LJQANCHMSA-N 1 0 312.457 3.208 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCSCC1 ZINC000089983316 185274071 /nfs/dbraw/zinc/27/40/71/185274071.db2.gz DWGPAJZSLVVHEZ-AWEZNQCLSA-N 1 0 324.515 3.090 10 30 DGEERO C=CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1ccc(C)s1 ZINC000036101681 119369239 /nfs/dbraw/zinc/36/92/39/119369239.db2.gz KEMSAFJAHRKQCP-MRXNPFEDSA-N 1 0 311.491 3.468 10 30 DGEERO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4nccs4)C3)n2c1 ZINC000092788646 185341314 /nfs/dbraw/zinc/34/13/14/185341314.db2.gz BAKFASHITLDZLO-AWEZNQCLSA-N 1 0 323.425 3.042 10 30 DGEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000159998915 282265373 /nfs/dbraw/zinc/26/53/73/282265373.db2.gz JJOCYDIQUZHOEL-SFHVURJKSA-N 1 0 311.404 3.365 10 30 DGEERO CCc1nc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)cs1 ZINC000262543594 529730770 /nfs/dbraw/zinc/73/07/70/529730770.db2.gz SZTKGKKWGOANCF-UHFFFAOYSA-N 1 0 324.837 3.294 10 30 DGEERO C=C(Br)COc1ccc(C[C@@H](C)[NH3+])cc1OCC ZINC000037726076 190665085 /nfs/dbraw/zinc/66/50/85/190665085.db2.gz NCDBULZZASHDRZ-LLVKDONJSA-N 1 0 314.223 3.262 10 30 DGEERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(C#N)c1 ZINC000182053676 199380454 /nfs/dbraw/zinc/38/04/54/199380454.db2.gz KMDUOMBLVSDMFU-SNVBAGLBSA-N 1 0 308.307 3.161 10 30 DGEERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000174528237 198347624 /nfs/dbraw/zinc/34/76/24/198347624.db2.gz PKFXZNCHHWHNAY-BXUZGUMPSA-N 1 0 320.824 3.158 10 30 DGEERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000174528261 198347676 /nfs/dbraw/zinc/34/76/76/198347676.db2.gz PKFXZNCHHWHNAY-RISCZKNCSA-N 1 0 320.824 3.158 10 30 DGEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262370461 283092852 /nfs/dbraw/zinc/09/28/52/283092852.db2.gz XLCXFQOXTWYOAS-LEWSCRJBSA-N 1 0 309.335 3.141 10 30 DGEERO N#Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000262044320 283108516 /nfs/dbraw/zinc/10/85/16/283108516.db2.gz CFNWYUWUGDBHKR-PSOPSSQASA-N 1 0 309.335 3.141 10 30 DGEERO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000179478409 199042077 /nfs/dbraw/zinc/04/20/77/199042077.db2.gz JMGLJQSTUBZCDK-MOPGFXCFSA-N 1 0 319.408 3.235 10 30 DGEERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccnc(C#N)c1 ZINC000193598680 201084575 /nfs/dbraw/zinc/08/45/75/201084575.db2.gz NRZCUUSTHHPVHV-UHFFFAOYSA-N 1 0 320.396 3.110 10 30 DGEERO COc1ccc(C#N)cc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246116834 432096968 /nfs/dbraw/zinc/09/69/68/432096968.db2.gz OKNJNHJKQZFRGC-MSOLQXFVSA-N 1 0 313.445 3.014 10 30 DGEERO C=CC[C@@H](CO)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194173113 201190652 /nfs/dbraw/zinc/19/06/52/201190652.db2.gz BUZLOJIOBCRUAC-BLZCZZARSA-N 1 0 310.235 3.222 10 30 DGEERO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)s1 ZINC000135078350 432097778 /nfs/dbraw/zinc/09/77/78/432097778.db2.gz INIKKBFLYBYXJX-NEPJUHHUSA-N 1 0 316.405 3.083 10 30 DGEERO COc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1C#N ZINC000135126072 432099418 /nfs/dbraw/zinc/09/94/18/432099418.db2.gz UOTDURCYMUFBSX-UHFFFAOYSA-N 1 0 301.777 3.247 10 30 DGEERO C=CCCCC[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449359487 240154927 /nfs/dbraw/zinc/15/49/27/240154927.db2.gz QONKROQEVBTZCJ-GJZGRUSLSA-N 1 0 307.459 3.282 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330249886 299391871 /nfs/dbraw/zinc/39/18/71/299391871.db2.gz MTWBPLAXXRXIJV-DLDMWITLSA-N 1 0 306.450 3.067 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000473817728 244350815 /nfs/dbraw/zinc/35/08/15/244350815.db2.gz AVAGMTAIJOHBMK-BZUAXINKSA-N 1 0 307.482 3.103 10 30 DGEERO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000181394752 432126253 /nfs/dbraw/zinc/12/62/53/432126253.db2.gz SOQQLJKXIXYJRF-INIZCTEOSA-N 1 0 320.440 3.268 10 30 DGEERO [NH2+]=C(Cc1ccc(Cl)cc1)NOC(=O)c1ccc(F)cc1 ZINC000017083856 182074679 /nfs/dbraw/zinc/07/46/79/182074679.db2.gz BXEGTQCONUMLGE-UHFFFAOYSA-N 1 0 306.724 3.151 10 30 DGEERO Cc1ccn(-c2ccccc2C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000136402086 284501898 /nfs/dbraw/zinc/50/18/98/284501898.db2.gz JUOXBDOCWVQAAQ-UHFFFAOYSA-N 1 0 308.410 3.404 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC)CCC#N ZINC000042955191 183322212 /nfs/dbraw/zinc/32/22/12/183322212.db2.gz NYPUYUSJTVOXFA-GJZGRUSLSA-N 1 0 324.266 3.463 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000273459753 210791775 /nfs/dbraw/zinc/79/17/75/210791775.db2.gz QGCAJLNNXOUVOS-WCQYABFASA-N 1 0 303.324 3.215 10 30 DGEERO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1ccc(C#N)nc1 ZINC000065370975 184330126 /nfs/dbraw/zinc/33/01/26/184330126.db2.gz LKJUHPMZLUHQMP-UHFFFAOYSA-N 1 0 304.357 3.028 10 30 DGEERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000330251642 533391542 /nfs/dbraw/zinc/39/15/42/533391542.db2.gz HUZDEOUXYNMGSG-DXCKQFNASA-N 1 0 318.417 3.137 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000595078340 400100459 /nfs/dbraw/zinc/10/04/59/400100459.db2.gz URWFNQMNRYVOGE-MSOLQXFVSA-N 1 0 317.429 3.351 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000581392784 400079388 /nfs/dbraw/zinc/07/93/88/400079388.db2.gz PDALVJPULLBHPL-KRWDZBQOSA-N 1 0 313.372 3.484 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000067504547 400175017 /nfs/dbraw/zinc/17/50/17/400175017.db2.gz HTNPIVDCYKIXMN-KRWDZBQOSA-N 1 0 310.397 3.107 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000091507721 400125668 /nfs/dbraw/zinc/12/56/68/400125668.db2.gz YPEXWLBRKPQXHN-SFHVURJKSA-N 1 0 302.462 3.428 10 30 DGEERO Cc1ncccc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000609140495 400143994 /nfs/dbraw/zinc/14/39/94/400143994.db2.gz PLWABIYLLRSBLJ-UHFFFAOYSA-N 1 0 306.413 3.020 10 30 DGEERO Cn1ccnc1C[C@@H](NC(=O)CCCCCC#N)c1ccccc1 ZINC000588160037 400192917 /nfs/dbraw/zinc/19/29/17/400192917.db2.gz WLXVRGWVXKXMAS-QGZVFWFLSA-N 1 0 324.428 3.294 10 30 DGEERO C=CCOc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1Cl ZINC000092969267 400217625 /nfs/dbraw/zinc/21/76/25/400217625.db2.gz QZZUQLPCCGPXGI-ZDUSSCGKSA-N 1 0 309.837 3.498 10 30 DGEERO C=CCOc1ccc(C[NH2+]C2CCN(CC(=C)C)CC2)cc1 ZINC000106246307 400326468 /nfs/dbraw/zinc/32/64/68/400326468.db2.gz ZRJXKBIGMISCAI-UHFFFAOYSA-N 1 0 300.446 3.382 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579688154 400341562 /nfs/dbraw/zinc/34/15/62/400341562.db2.gz BVZMTLCOBGGMFB-LJQANCHMSA-N 1 0 313.445 3.413 10 30 DGEERO C=CCCCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000581318654 400352531 /nfs/dbraw/zinc/35/25/31/400352531.db2.gz CNRGPHFALYTFIS-KRWDZBQOSA-N 1 0 307.482 3.393 10 30 DGEERO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000611553351 400419724 /nfs/dbraw/zinc/41/97/24/400419724.db2.gz XGADHVKCXWZMMR-HXUWFJFHSA-N 1 0 323.415 3.251 10 30 DGEERO CC(=[NH2+])Nc1ccc2nc(-c3ccc4c(c3)CCO4)ncc2c1 ZINC000043194303 400459049 /nfs/dbraw/zinc/45/90/49/400459049.db2.gz USEVVPJGKHJIHN-UHFFFAOYSA-N 1 0 304.353 3.240 10 30 DGEERO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc2ccccc2c1 ZINC000123184804 400466768 /nfs/dbraw/zinc/46/67/68/400466768.db2.gz JBRWTSUUHRZIDB-VBKZILBWSA-N 1 0 321.424 3.299 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000125792337 400485157 /nfs/dbraw/zinc/48/51/57/400485157.db2.gz SMFXPRRAHNUPCB-GOSISDBHSA-N 1 0 315.461 3.259 10 30 DGEERO COc1ccc(OC)c(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742625 400680326 /nfs/dbraw/zinc/68/03/26/400680326.db2.gz NEAWTUGGISUJPJ-SFHVURJKSA-N 1 0 308.381 3.353 10 30 DGEERO C#CC[C@@H]([NH3+])c1cc(Br)ccc1Br ZINC000168687020 400758302 /nfs/dbraw/zinc/75/83/02/400758302.db2.gz QNNKCKPYZDNSMC-SNVBAGLBSA-N 1 0 302.997 3.235 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000593593371 400878207 /nfs/dbraw/zinc/87/82/07/400878207.db2.gz ACGNTQROFIQCGK-QAPCUYQASA-N 1 0 310.445 3.256 10 30 DGEERO CC[NH+](CC)Cc1ccc(C(=O)NCC2CCC(C#N)CC2)o1 ZINC000619660249 400880029 /nfs/dbraw/zinc/88/00/29/400880029.db2.gz UOBDLKMFXXJHRC-UHFFFAOYSA-N 1 0 317.433 3.181 10 30 DGEERO N#Cc1ccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)c(F)c1 ZINC000619672700 400882152 /nfs/dbraw/zinc/88/21/52/400882152.db2.gz QADOPGQGJPYFJN-AWEZNQCLSA-N 1 0 305.356 3.436 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C1 ZINC000593636891 400885137 /nfs/dbraw/zinc/88/51/37/400885137.db2.gz OZDQYADBJPYLPK-HZPDHXFCSA-N 1 0 323.477 3.459 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000180792178 400885361 /nfs/dbraw/zinc/88/53/61/400885361.db2.gz KZJCDYOYWWWWAE-CQSZACIVSA-N 1 0 321.440 3.431 10 30 DGEERO CN(CCC#N)C(=O)CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183218356 400899740 /nfs/dbraw/zinc/89/97/40/400899740.db2.gz DHYBDICDIDTVRX-SFHVURJKSA-N 1 0 313.445 3.052 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000184287985 400902900 /nfs/dbraw/zinc/90/29/00/400902900.db2.gz PYVWXRMDSDRTPW-SFHVURJKSA-N 1 0 315.388 3.431 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000606447399 400914760 /nfs/dbraw/zinc/91/47/60/400914760.db2.gz GQYVZLVDPAXBRK-QGZVFWFLSA-N 1 0 302.462 3.282 10 30 DGEERO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000625749917 401201311 /nfs/dbraw/zinc/20/13/11/401201311.db2.gz BMDRDXWVLUZWOL-SDBXPKJASA-N 1 0 320.177 3.315 10 30 DGEERO C=CCCSCC[NH2+]Cc1c(F)cncc1Br ZINC000594968045 401213066 /nfs/dbraw/zinc/21/30/66/401213066.db2.gz MNCRFZIKQOXIEJ-UHFFFAOYSA-N 1 0 319.243 3.382 10 30 DGEERO C=CC[C@@H]1CC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000625703178 401187547 /nfs/dbraw/zinc/18/75/47/401187547.db2.gz RBIGTZJTMDIADG-CJNGLKHVSA-N 1 0 302.443 3.388 10 30 DGEERO C=CCn1c(N2CCC(CC)([NH+](C)C)CC2)nnc1C(C)(C)C ZINC000634342025 401266519 /nfs/dbraw/zinc/26/65/19/401266519.db2.gz WQIUYRSBQFIVDD-UHFFFAOYSA-N 1 0 319.497 3.072 10 30 DGEERO C=CCN1CC[C@@H]([NH2+]C(C)(C)c2ccc3ccccc3c2)C1=O ZINC000626116112 401304590 /nfs/dbraw/zinc/30/45/90/401304590.db2.gz QJFHEOBACGKVDH-GOSISDBHSA-N 1 0 308.425 3.451 10 30 DGEERO C=CCOc1cccc(NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000635415929 401439042 /nfs/dbraw/zinc/43/90/42/401439042.db2.gz GESQQYSDLDCVDK-UHFFFAOYSA-N 1 0 300.402 3.066 10 30 DGEERO C=CCCC1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000627127182 401446763 /nfs/dbraw/zinc/44/67/63/401446763.db2.gz UQZNXQIAKCCHMH-OAHLLOKOSA-N 1 0 305.466 3.097 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCN2C)cc1OC ZINC000623376868 401504137 /nfs/dbraw/zinc/50/41/37/401504137.db2.gz FWHOJEZEGSDYDM-AWEZNQCLSA-N 1 0 324.852 3.097 10 30 DGEERO C=CC[C@H]1CCN(C(=O)N[C@H](c2nccn2C)c2ccccc2)C1 ZINC000623399805 401508198 /nfs/dbraw/zinc/50/81/98/401508198.db2.gz AGKIJGXBYJKYGM-RDJZCZTQSA-N 1 0 324.428 3.117 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000631597642 401510284 /nfs/dbraw/zinc/51/02/84/401510284.db2.gz UXOMPCVQGVKWDD-OAHLLOKOSA-N 1 0 306.837 3.415 10 30 DGEERO C=C(C)COCC[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623449615 401521837 /nfs/dbraw/zinc/52/18/37/401521837.db2.gz DOXZDJPXDYMYMV-UHFFFAOYSA-N 1 0 321.314 3.449 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000623466476 401524715 /nfs/dbraw/zinc/52/47/15/401524715.db2.gz AUHIXSTXCNVEMS-IAGOWNOFSA-N 1 0 307.482 3.106 10 30 DGEERO C=CC[C@H]1CC[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)C1 ZINC000623828354 401584637 /nfs/dbraw/zinc/58/46/37/401584637.db2.gz VFNQZLJJZBCKLI-YTQUADARSA-N 1 0 303.446 3.289 10 30 DGEERO C=CC[C@H]1CC[N@@H+](C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406122 401592084 /nfs/dbraw/zinc/59/20/84/401592084.db2.gz CKQITKJUFBGYGE-CABCVRRESA-N 1 0 307.459 3.092 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1csc(N(C(C)=O)C2CC2)n1 ZINC000623593128 401552326 /nfs/dbraw/zinc/55/23/26/401552326.db2.gz UWKJMXCHEQXMLM-UHFFFAOYSA-N 1 0 307.463 3.350 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000624142259 401631907 /nfs/dbraw/zinc/63/19/07/401631907.db2.gz QDWHFUYZGDVVQY-SJORKVTESA-N 1 0 307.482 3.105 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000624205593 401638873 /nfs/dbraw/zinc/63/88/73/401638873.db2.gz IGDAJUYJIQILTM-HUUCEWRRSA-N 1 0 300.402 3.356 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000628486111 401606873 /nfs/dbraw/zinc/60/68/73/401606873.db2.gz AWZSSHPEJYCXFT-IEBWSBKVSA-N 1 0 312.457 3.323 10 30 DGEERO C=CCCCCNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633170691 401656752 /nfs/dbraw/zinc/65/67/52/401656752.db2.gz ABHSJCWIVSNPGF-UHFFFAOYSA-N 1 0 307.482 3.393 10 30 DGEERO C[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@H]1COc2ccccc21 ZINC000185545354 165007780 /nfs/dbraw/zinc/00/77/80/165007780.db2.gz YYIROYKNPLUVDT-KBXCAEBGSA-N 1 0 308.381 3.091 10 30 DGEERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191386824 165248052 /nfs/dbraw/zinc/24/80/52/165248052.db2.gz SFLOIOXUJDPVIQ-YOEHRIQHSA-N 1 0 309.413 3.283 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]Cc3ccc4ncccc4c3)n2c1 ZINC000192979989 165314696 /nfs/dbraw/zinc/31/46/96/165314696.db2.gz FJTDLAZMBHQLCK-UHFFFAOYSA-N 1 0 313.364 3.044 10 30 DGEERO N#Cc1c(CN2CCC(C[NH+]3CCCC3)CC2)cn2ccccc12 ZINC000193081000 165316791 /nfs/dbraw/zinc/31/67/91/165316791.db2.gz MSIFFWNCCIUNJE-UHFFFAOYSA-N 1 0 322.456 3.119 10 30 DGEERO CC[N@H+](CCNc1ccc(Br)cc1C#N)C1CC1 ZINC000217998721 165377967 /nfs/dbraw/zinc/37/79/67/165377967.db2.gz AIFJPCHVZFUAFU-UHFFFAOYSA-N 1 0 308.223 3.217 10 30 DGEERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C12CCOCC2 ZINC000248991969 165662013 /nfs/dbraw/zinc/66/20/13/165662013.db2.gz LEYTYPODRYOOEA-ZTFGCOKTSA-N 1 0 314.429 3.183 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247271111 432218269 /nfs/dbraw/zinc/21/82/69/432218269.db2.gz JXETYRVQAUKDRO-GOEBONIOSA-N 1 0 321.490 3.174 10 30 DGEERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCSCC#N)cc1 ZINC000183148031 228371621 /nfs/dbraw/zinc/37/16/21/228371621.db2.gz YBTARLVQTCBPOO-CQSZACIVSA-N 1 0 314.458 3.478 10 30 DGEERO [NH2+]=C(NCCc1ccc2ccccc2n1)NC1CCCCCC1 ZINC000262009473 228641072 /nfs/dbraw/zinc/64/10/72/228641072.db2.gz STKPFNWXSDQOTO-UHFFFAOYSA-N 1 0 310.445 3.404 10 30 DGEERO O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc2c[nH+]cn2c1 ZINC000328796991 228914712 /nfs/dbraw/zinc/91/47/12/228914712.db2.gz DPNPLDJHCCLKQE-CVEARBPZSA-N 1 0 309.373 3.019 10 30 DGEERO O=C(NC1CC([NH+]2CCCCC2)C1)c1ccccc1-n1cccn1 ZINC000330108647 228976708 /nfs/dbraw/zinc/97/67/08/228976708.db2.gz NWSQKPNYHQHNNF-UHFFFAOYSA-N 1 0 324.428 3.194 10 30 DGEERO C[C@H](CCNCc1nc(C#N)cs1)[N@H+](C)Cc1ccccc1 ZINC000352842593 267151880 /nfs/dbraw/zinc/15/18/80/267151880.db2.gz PHUKVGZYDIJYAB-CQSZACIVSA-N 1 0 314.458 3.015 10 30 DGEERO C[C@H](NCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358576256 267182056 /nfs/dbraw/zinc/18/20/56/267182056.db2.gz TWCMKEFTQKVVQL-HNNXBMFYSA-N 1 0 303.425 3.470 10 30 DGEERO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000358592128 267182271 /nfs/dbraw/zinc/18/22/71/267182271.db2.gz PLVVNWPKLHVQCQ-LBPRGKRZSA-N 1 0 306.381 3.470 10 30 DGEERO C[C@H]1CCN(c2ccncc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000369963553 267217960 /nfs/dbraw/zinc/21/79/60/267217960.db2.gz GGVJQQNTSPIRQA-INIZCTEOSA-N 1 0 306.413 3.054 10 30 DGEERO Cc1cc(C#N)nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000376458474 267317687 /nfs/dbraw/zinc/31/76/87/267317687.db2.gz BFOHOLOTBPWLQF-WBVHZDCISA-N 1 0 321.428 3.122 10 30 DGEERO N#Cc1csc(C[NH2+]CCCCOCc2ccccc2)n1 ZINC000352856388 268320034 /nfs/dbraw/zinc/32/00/34/268320034.db2.gz WEEDMQOQVZLEDG-UHFFFAOYSA-N 1 0 301.415 3.101 10 30 DGEERO C=C[C@H](CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC)c1ccccc1 ZINC000247920971 432255097 /nfs/dbraw/zinc/25/50/97/432255097.db2.gz BSUPKPVNDIEECR-NEWSRXKRSA-N 1 0 312.457 3.432 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000343503828 273486825 /nfs/dbraw/zinc/48/68/25/273486825.db2.gz LUCNWHQLBMDUMY-FZMZJTMJSA-N 1 0 300.324 3.004 10 30 DGEERO C[NH+]1CCC(Nc2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301727314 273870712 /nfs/dbraw/zinc/87/07/12/273870712.db2.gz NINRFEGRBLYNQC-UHFFFAOYSA-N 1 0 300.793 3.266 10 30 DGEERO C=CCC[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417912847 276886723 /nfs/dbraw/zinc/88/67/23/276886723.db2.gz OZGMOOASOXRCGR-IAGOWNOFSA-N 1 0 301.434 3.135 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)CC1 ZINC000368084844 277775596 /nfs/dbraw/zinc/77/55/96/277775596.db2.gz HXFLIONPNVDLOJ-LPHOPBHVSA-N 1 0 319.493 3.249 10 30 DGEERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000186999065 278255160 /nfs/dbraw/zinc/25/51/60/278255160.db2.gz WOMOCNNMQVXQJZ-ZDUSSCGKSA-N 1 0 318.396 3.083 10 30 DGEERO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328717890 279180433 /nfs/dbraw/zinc/18/04/33/279180433.db2.gz UULLYKJMNBTREZ-GDBMZVCRSA-N 1 0 304.438 3.198 10 30 DGEERO N#Cc1ccc(N2CCC[C@H]([NH+]3C[C@@H]4CCCC[C@H]4C3)C2=O)cc1 ZINC000490060280 279520156 /nfs/dbraw/zinc/52/01/56/279520156.db2.gz PAIOLVOFCIWDQC-LNLFQRSKSA-N 1 0 323.440 3.176 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000112532010 431282045 /nfs/dbraw/zinc/28/20/45/431282045.db2.gz XNFMGBNQTLBIOK-CABCVRRESA-N 1 0 315.461 3.395 10 30 DGEERO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116288923 431500856 /nfs/dbraw/zinc/50/08/56/431500856.db2.gz INLDBQHYYWFAOB-CYBMUJFWSA-N 1 0 315.398 3.378 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000076738352 431560083 /nfs/dbraw/zinc/56/00/83/431560083.db2.gz NAENJKZJXHOUEJ-SFHVURJKSA-N 1 0 316.445 3.257 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076736605 431560770 /nfs/dbraw/zinc/56/07/70/431560770.db2.gz WKAPNWOGIAZZIX-LBPRGKRZSA-N 1 0 317.458 3.333 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000076954555 431563977 /nfs/dbraw/zinc/56/39/77/431563977.db2.gz SRZDDCRWFMYXET-MRXNPFEDSA-N 1 0 319.449 3.333 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000078691250 431696388 /nfs/dbraw/zinc/69/63/88/431696388.db2.gz NJEBLHOUIDMLJR-KGLIPLIRSA-N 1 0 320.408 3.074 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C)nc1C)C(C)C ZINC000120088640 431721597 /nfs/dbraw/zinc/72/15/97/431721597.db2.gz ALTHPTAPEYWHKA-GOSISDBHSA-N 1 0 315.461 3.127 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000122216445 431819656 /nfs/dbraw/zinc/81/96/56/431819656.db2.gz LZVXHMAJBNSFHU-INIZCTEOSA-N 1 0 321.424 3.117 10 30 DGEERO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)n2c1 ZINC000124965116 431910276 /nfs/dbraw/zinc/91/02/76/431910276.db2.gz YAYBSHROOHAYAT-SFHVURJKSA-N 1 0 316.408 3.413 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1N(C)C ZINC000090106680 431890408 /nfs/dbraw/zinc/89/04/08/431890408.db2.gz CITQAWSYZSKGSX-HNNXBMFYSA-N 1 0 309.413 3.354 10 30 DGEERO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091979175 431906392 /nfs/dbraw/zinc/90/63/92/431906392.db2.gz HXPJIAAJNGKBGO-OALUTQOASA-N 1 0 313.445 3.180 10 30 DGEERO C=C[C@H](CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccccc1 ZINC000248069896 432266928 /nfs/dbraw/zinc/26/69/28/432266928.db2.gz QEOUNFQXBSWAPJ-NZSAHSFTSA-N 1 0 312.457 3.289 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249591315 432352284 /nfs/dbraw/zinc/35/22/84/432352284.db2.gz VNLRCDKRMKIZPB-FSPWUOQZSA-N 1 0 312.438 3.389 10 30 DGEERO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000252801417 432389054 /nfs/dbraw/zinc/38/90/54/432389054.db2.gz JMGLJQSTUBZCDK-RTBURBONSA-N 1 0 319.408 3.235 10 30 DGEERO C[NH+](C)C1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000193046795 432442365 /nfs/dbraw/zinc/44/23/65/432442365.db2.gz MAMAWRWVZKSVIK-UHFFFAOYSA-N 1 0 314.433 3.046 10 30 DGEERO Cc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000193635110 432487269 /nfs/dbraw/zinc/48/72/69/432487269.db2.gz UWNPEMPNWVUTKO-LLVKDONJSA-N 1 0 317.776 3.402 10 30 DGEERO C[C@@H](CC[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000193650865 432488705 /nfs/dbraw/zinc/48/87/05/432488705.db2.gz XJUXBFZSXJSJPF-KRWDZBQOSA-N 1 0 320.440 3.269 10 30 DGEERO C=CCCCCC[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000193336988 432467126 /nfs/dbraw/zinc/46/71/26/432467126.db2.gz XKVFJVZOTAGCGG-UHFFFAOYSA-N 1 0 304.482 3.026 10 30 DGEERO C#CCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958372 432549000 /nfs/dbraw/zinc/54/90/00/432549000.db2.gz YOTCIOQOKVLCFW-HZPDHXFCSA-N 1 0 318.848 3.251 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1cc(C)nn1-c1cc(C)nc(C)n1 ZINC000185989272 432551481 /nfs/dbraw/zinc/55/14/81/432551481.db2.gz CNDSWAXYZCUSCE-NSHDSACASA-N 1 0 313.405 3.128 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000186067525 432555908 /nfs/dbraw/zinc/55/59/08/432555908.db2.gz ZNNHHAPXAPVZDG-BQFCYCMXSA-N 1 0 300.446 3.225 10 30 DGEERO N#Cc1ccc(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000195180820 432610213 /nfs/dbraw/zinc/61/02/13/432610213.db2.gz CDWGGROIIKZXRZ-UHFFFAOYSA-N 1 0 319.408 3.335 10 30 DGEERO CC(C)COC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000155668450 432567979 /nfs/dbraw/zinc/56/79/79/432567979.db2.gz IGTUNKOKHCXUNC-UHFFFAOYSA-N 1 0 316.445 3.464 10 30 DGEERO N#Cc1ccc(C[NH2+]CCc2csc(N3CCCC3)n2)s1 ZINC000176971857 432570508 /nfs/dbraw/zinc/57/05/08/432570508.db2.gz QBWOIBWGWZPVGJ-UHFFFAOYSA-N 1 0 318.471 3.009 10 30 DGEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000186237352 432573256 /nfs/dbraw/zinc/57/32/56/432573256.db2.gz UIVQVXVYICSRKB-KRWDZBQOSA-N 1 0 306.413 3.196 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000186699119 432624463 /nfs/dbraw/zinc/62/44/63/432624463.db2.gz NTXHWNOXOPCZCO-WBVHZDCISA-N 1 0 313.445 3.385 10 30 DGEERO CC[N@@H+]1CCC[C@H](Nc2ccc(C#N)cc2Br)C1 ZINC000213324124 432641088 /nfs/dbraw/zinc/64/10/88/432641088.db2.gz IXFJGNGAZYEGAF-LBPRGKRZSA-N 1 0 308.223 3.217 10 30 DGEERO N#Cc1ccc(F)cc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000159725019 432693446 /nfs/dbraw/zinc/69/34/46/432693446.db2.gz NUZKNIBMJOIQHV-UHFFFAOYSA-N 1 0 301.409 3.005 10 30 DGEERO COc1ccc(C[N@H+](CCc2nccs2)C(C)C)cc1C#N ZINC000159819766 432697539 /nfs/dbraw/zinc/69/75/39/432697539.db2.gz MUSQZURPUSNKOX-UHFFFAOYSA-N 1 0 315.442 3.476 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000188457590 432727575 /nfs/dbraw/zinc/72/75/75/432727575.db2.gz CCNLCNPVPITVSG-ONGXEEELSA-N 1 0 302.187 3.176 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245964277 432873002 /nfs/dbraw/zinc/87/30/02/432873002.db2.gz YTVLKRUHTLAOGL-ZACQAIPSSA-N 1 0 307.482 3.388 10 30 DGEERO C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245575128 432846385 /nfs/dbraw/zinc/84/63/85/432846385.db2.gz HNJHZYFMABWZKK-MAUKXSAKSA-N 1 0 313.832 3.471 10 30 DGEERO C=C(C)COc1cc(C[N@@H+](CC)[C@@H]2CCOC2)ccc1OC ZINC000361251630 433058889 /nfs/dbraw/zinc/05/88/89/433058889.db2.gz MUJFOGMLZKYXPM-MRXNPFEDSA-N 1 0 305.418 3.261 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000425358810 433194151 /nfs/dbraw/zinc/19/41/51/433194151.db2.gz UTIHTKAQODDRAP-QRTARXTBSA-N 1 0 307.409 3.194 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281307106 433280575 /nfs/dbraw/zinc/28/05/75/433280575.db2.gz RORCVPJCRKZIFS-GOSISDBHSA-N 1 0 318.436 3.452 10 30 DGEERO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCC34CCC4)C2=O)cc1 ZINC000447877681 433311024 /nfs/dbraw/zinc/31/10/24/433311024.db2.gz IGSNJSLOLRWKTC-QGZVFWFLSA-N 1 0 309.413 3.072 10 30 DGEERO C=CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000448029551 433352036 /nfs/dbraw/zinc/35/20/36/433352036.db2.gz HZSOFGSTEMYGJM-SFHVURJKSA-N 1 0 315.461 3.259 10 30 DGEERO C=CCCCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000448034832 433353402 /nfs/dbraw/zinc/35/34/02/433353402.db2.gz LRWSKEXUCVIXGA-QGZVFWFLSA-N 1 0 315.461 3.259 10 30 DGEERO C=CCCCNC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000448093294 433360154 /nfs/dbraw/zinc/36/01/54/433360154.db2.gz IHHZEEOIKWKRSI-QGZVFWFLSA-N 1 0 303.450 3.117 10 30 DGEERO C=CCCCNC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000448000938 433341999 /nfs/dbraw/zinc/34/19/99/433341999.db2.gz RPYDCEWDBMFINZ-GOSISDBHSA-N 1 0 315.461 3.162 10 30 DGEERO Cc1cc(NCCCC[N@H+]2CCC[C@H](C)C2)c(C#N)c(C)n1 ZINC000301793036 433727244 /nfs/dbraw/zinc/72/72/44/433727244.db2.gz RONKFZZPEUZZDP-AWEZNQCLSA-N 1 0 300.450 3.494 10 30 DGEERO Cc1cc(C#N)cc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000342793599 433759200 /nfs/dbraw/zinc/75/92/00/433759200.db2.gz VWSMGJFFDLXTFY-MRXNPFEDSA-N 1 0 308.429 3.584 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284069544 433826663 /nfs/dbraw/zinc/82/66/63/433826663.db2.gz UKUKAXFCHBKQPQ-CYBMUJFWSA-N 1 0 308.834 3.490 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000284069548 433829510 /nfs/dbraw/zinc/82/95/10/433829510.db2.gz UKUKAXFCHBKQPQ-ZDUSSCGKSA-N 1 0 308.834 3.490 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000284565409 433899193 /nfs/dbraw/zinc/89/91/93/433899193.db2.gz YOIVLFQBEHFZRX-PBHICJAKSA-N 1 0 304.434 3.016 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000436305711 433934661 /nfs/dbraw/zinc/93/46/61/433934661.db2.gz GTDZFUQKVNWQKA-RGVPCPSESA-N 1 0 301.430 3.305 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063894 433963449 /nfs/dbraw/zinc/96/34/49/433963449.db2.gz FOLSSTUCYSQGKX-CYBMUJFWSA-N 1 0 320.399 3.464 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000294012358 433965576 /nfs/dbraw/zinc/96/55/76/433965576.db2.gz DIJKTYLODIYQSA-WCBMZHEXSA-N 1 0 302.237 3.025 10 30 DGEERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000378267088 434126031 /nfs/dbraw/zinc/12/60/31/434126031.db2.gz SBMGNWFSKUVDBK-UHFFFAOYSA-N 1 0 304.393 3.362 10 30 DGEERO C=CC1CC[NH+]([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000348196156 434289290 /nfs/dbraw/zinc/28/92/90/434289290.db2.gz XWCLYCPGLQCBGN-CQSZACIVSA-N 1 0 316.470 3.412 10 30 DGEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000328626329 434293099 /nfs/dbraw/zinc/29/30/99/434293099.db2.gz LOIVVNFFBNJPHB-CYBMUJFWSA-N 1 0 304.419 3.308 10 30 DGEERO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328685626 434297327 /nfs/dbraw/zinc/29/73/27/434297327.db2.gz FSEQVJCYWFENAK-WBVHZDCISA-N 1 0 318.465 3.445 10 30 DGEERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328779566 434309273 /nfs/dbraw/zinc/30/92/73/434309273.db2.gz IXDLNRPTOQXZEH-HUUCEWRRSA-N 1 0 309.454 3.210 10 30 DGEERO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450710635 434358991 /nfs/dbraw/zinc/35/89/91/434358991.db2.gz CVNSNORBDQZULM-VBKZILBWSA-N 1 0 322.408 3.216 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000358394090 434392673 /nfs/dbraw/zinc/39/26/73/434392673.db2.gz FXASCOBGTQURFC-IEBWSBKVSA-N 1 0 302.462 3.398 10 30 DGEERO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358560223 434394698 /nfs/dbraw/zinc/39/46/98/434394698.db2.gz QJUGEUHUVDFRFU-UKRRQHHQSA-N 1 0 323.371 3.153 10 30 DGEERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000397448852 434438759 /nfs/dbraw/zinc/43/87/59/434438759.db2.gz HRJXYMVHBKTCHL-UHFFFAOYSA-N 1 0 323.462 3.403 10 30 DGEERO C=CCC[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417920146 434549244 /nfs/dbraw/zinc/54/92/44/434549244.db2.gz ZUPKSJOSJUNRCE-FGTMMUONSA-N 1 0 313.445 3.230 10 30 DGEERO C=CCCCCNC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000418025897 434567904 /nfs/dbraw/zinc/56/79/04/434567904.db2.gz DYWBYSOFFLNDQW-DLBZAZTESA-N 1 0 319.424 3.008 10 30 DGEERO C#CCOc1ccccc1C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000368283670 434570642 /nfs/dbraw/zinc/57/06/42/434570642.db2.gz JZMAFIAJQCZZED-UHFFFAOYSA-N 1 0 321.424 3.177 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418346833 434632234 /nfs/dbraw/zinc/63/22/34/434632234.db2.gz HZEVFYSOWJDXHC-QGZVFWFLSA-N 1 0 303.450 3.417 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)cs1 ZINC000424170326 434644148 /nfs/dbraw/zinc/64/41/48/434644148.db2.gz JFSFXVSTBAMGRT-CABZTGNLSA-N 1 0 302.237 3.191 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000424293111 434680410 /nfs/dbraw/zinc/68/04/10/434680410.db2.gz IAKLUHAGXCADKU-KBMXLJTQSA-N 1 0 303.402 3.090 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000424295164 434683324 /nfs/dbraw/zinc/68/33/24/434683324.db2.gz MIENKHSGVGHQQP-FSDCSDTHSA-N 1 0 319.445 3.377 10 30 DGEERO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992573 434852648 /nfs/dbraw/zinc/85/26/48/434852648.db2.gz VKGDZLFGCMWBBI-ROUUACIJSA-N 1 0 310.441 3.043 10 30 DGEERO C=CCN1CC[C@@H]([N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992570 434852893 /nfs/dbraw/zinc/85/28/93/434852893.db2.gz VKGDZLFGCMWBBI-QZTJIDSGSA-N 1 0 310.441 3.043 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1OC ZINC000527803088 435015565 /nfs/dbraw/zinc/01/55/65/435015565.db2.gz USVHWRKZYMVVKU-NUXNZHGMSA-N 1 0 305.418 3.162 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1 ZINC000527806057 435016327 /nfs/dbraw/zinc/01/63/27/435016327.db2.gz KSMOATPUHKJRMB-LJQANCHMSA-N 1 0 322.408 3.168 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527889537 435016375 /nfs/dbraw/zinc/01/63/75/435016375.db2.gz FMWRYSJBKLCFMV-IUCAKERBSA-N 1 0 320.177 3.315 10 30 DGEERO C=CCCCCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000574651537 434994164 /nfs/dbraw/zinc/99/41/64/434994164.db2.gz NQJOMYCIQLBKLA-INIZCTEOSA-N 1 0 307.482 3.152 10 30 DGEERO C=CCOc1ccccc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000530182361 435042669 /nfs/dbraw/zinc/04/26/69/435042669.db2.gz VLMZDAAYHJUUFH-UHFFFAOYSA-N 1 0 310.397 3.346 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1 ZINC000466908312 435097660 /nfs/dbraw/zinc/09/76/60/435097660.db2.gz AXCLIMQSVAMLGB-IBGZPJMESA-N 1 0 311.425 3.253 10 30 DGEERO C=CCCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000467103890 435109448 /nfs/dbraw/zinc/10/94/48/435109448.db2.gz KTFFYRSBVGUWNY-GOEBONIOSA-N 1 0 321.490 3.349 10 30 DGEERO C=CCCCC[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000582341709 435240198 /nfs/dbraw/zinc/24/01/98/435240198.db2.gz VXLMBJTXIOAOMR-AWEZNQCLSA-N 1 0 320.399 3.466 10 30 DGEERO C=CCCCCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000563374701 435265566 /nfs/dbraw/zinc/26/55/66/435265566.db2.gz VFABUEGCKGDNOR-UHFFFAOYSA-N 1 0 307.482 3.393 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000564832179 435273916 /nfs/dbraw/zinc/27/39/16/435273916.db2.gz RXKVJYRUVBPOJQ-MJVIPROJSA-N 1 0 311.223 3.086 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(C#N)cc1F ZINC000512674163 435365660 /nfs/dbraw/zinc/36/56/60/435365660.db2.gz VFJISKFNUFQATB-NSHDSACASA-N 1 0 319.767 3.475 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000538149407 435485773 /nfs/dbraw/zinc/48/57/73/435485773.db2.gz YGDZUFIJVUMFCE-KRWDZBQOSA-N 1 0 300.446 3.498 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000519690939 435698876 /nfs/dbraw/zinc/69/88/76/435698876.db2.gz CGRCDQOSRKYBPL-LJQANCHMSA-N 1 0 314.473 3.415 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151381270 332574771 /nfs/dbraw/zinc/57/47/71/332574771.db2.gz BTLCEZIQMFLDJJ-AEFFLSMTSA-N 1 0 319.470 3.396 10 30 DGEERO C=CC[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000188385108 333365125 /nfs/dbraw/zinc/36/51/25/333365125.db2.gz YUGOFNLTZQWCTG-MSOLQXFVSA-N 1 0 302.462 3.439 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCc3sccc3[C@@H]2C)CC1 ZINC000264383741 337632583 /nfs/dbraw/zinc/63/25/83/337632583.db2.gz VBNNRJQHFJWNHS-ZDUSSCGKSA-N 1 0 319.474 3.027 10 30 DGEERO C=CCC[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000119902452 337867494 /nfs/dbraw/zinc/86/74/94/337867494.db2.gz RZTXUMRAAVRZHR-HXUWFJFHSA-N 1 0 314.473 3.353 10 30 DGEERO C=CCCc1ccccc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000505044776 340159931 /nfs/dbraw/zinc/15/99/31/340159931.db2.gz DEOYUWYMMJUJGZ-UHFFFAOYSA-N 1 0 301.434 3.411 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1OC ZINC000249153354 341394800 /nfs/dbraw/zinc/39/48/00/341394800.db2.gz HSWKJQUDTAHBDS-KBXCAEBGSA-N 1 0 305.418 3.117 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000449523281 534610689 /nfs/dbraw/zinc/61/06/89/534610689.db2.gz XGBHRSMHWNZCEP-QGTPRVQTSA-N 1 0 316.445 3.460 10 30 DGEERO C=CCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000449698616 534791889 /nfs/dbraw/zinc/79/18/89/534791889.db2.gz OGRIGGPUMSTQCQ-KRWDZBQOSA-N 1 0 300.377 3.304 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000449460889 534882618 /nfs/dbraw/zinc/88/26/18/534882618.db2.gz ODWZHPKGELNLBJ-IPMKNSEASA-N 1 0 301.430 3.377 10 30 DGEERO CC#CCC[N@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000360485318 526308173 /nfs/dbraw/zinc/30/81/73/526308173.db2.gz BRILJHVQVVSASZ-FXAWDEMLSA-N 1 0 313.489 3.336 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)c2cccc(SCC)c2)CC1 ZINC000343347278 526449466 /nfs/dbraw/zinc/44/94/66/526449466.db2.gz SQFUWPJVWYDRDW-UHFFFAOYSA-N 1 0 304.459 3.179 10 30 DGEERO C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000337179038 526483622 /nfs/dbraw/zinc/48/36/22/526483622.db2.gz KYCKHHUPINTGGT-QMTHXVAHSA-N 1 0 313.228 3.431 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181540987 526525955 /nfs/dbraw/zinc/52/59/55/526525955.db2.gz SXQLKRZKWZDSBF-INIZCTEOSA-N 1 0 319.405 3.060 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](CC)CC2)CC1 ZINC000431918111 526596025 /nfs/dbraw/zinc/59/60/25/526596025.db2.gz DTUIDOMEFGUSSI-WKILWMFISA-N 1 0 307.482 3.295 10 30 DGEERO C=C(C)CN1CCC([NH2+]C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000182187791 526602293 /nfs/dbraw/zinc/60/22/93/526602293.db2.gz WIKFECBLPSEMMN-MRXNPFEDSA-N 1 0 302.462 3.429 10 30 DGEERO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000182188120 526602813 /nfs/dbraw/zinc/60/28/13/526602813.db2.gz KDXDDRLGGAOFRD-UHFFFAOYSA-N 1 0 308.853 3.484 10 30 DGEERO C=C(C)C[N@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000441218887 526608157 /nfs/dbraw/zinc/60/81/57/526608157.db2.gz UORFKOLKHUPYKI-QFBILLFUSA-N 1 0 301.478 3.498 10 30 DGEERO C=CC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429354015 526677899 /nfs/dbraw/zinc/67/78/99/526677899.db2.gz LPAOHBHAEXNLDS-VQIMIIECSA-N 1 0 313.372 3.352 10 30 DGEERO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365767324 526687698 /nfs/dbraw/zinc/68/76/98/526687698.db2.gz XZBKIRZJVYXYDM-UXHICEINSA-N 1 0 324.468 3.161 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000185232417 526705828 /nfs/dbraw/zinc/70/58/28/526705828.db2.gz YLNSIYNVYBOHID-HNNXBMFYSA-N 1 0 306.425 3.318 10 30 DGEERO C=CCOCC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000339175106 526781868 /nfs/dbraw/zinc/78/18/68/526781868.db2.gz NYEDVBZTBWXQNP-QZTJIDSGSA-N 1 0 324.415 3.281 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000435726871 526783101 /nfs/dbraw/zinc/78/31/01/526783101.db2.gz BUGYVSAKTPIXBM-CJNGLKHVSA-N 1 0 315.442 3.276 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000435726870 526801797 /nfs/dbraw/zinc/80/17/97/526801797.db2.gz BUGYVSAKTPIXBM-BBRMVZONSA-N 1 0 315.442 3.276 10 30 DGEERO C=C(CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000352996588 526870665 /nfs/dbraw/zinc/87/06/65/526870665.db2.gz HZDPQPZLFKRMMD-IRXDYDNUSA-N 1 0 315.461 3.262 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000355656671 526873494 /nfs/dbraw/zinc/87/34/94/526873494.db2.gz KIGOOULVSKLTOF-PKOBYXMFSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000355658715 526933880 /nfs/dbraw/zinc/93/38/80/526933880.db2.gz MBAHSFOYENPPPR-IEBWSBKVSA-N 1 0 317.429 3.021 10 30 DGEERO C=CC[NH+]=C(NCCc1ccco1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000154335953 526956524 /nfs/dbraw/zinc/95/65/24/526956524.db2.gz LIUMCRDKESXWBK-HOTGVXAUSA-N 1 0 301.434 3.076 10 30 DGEERO CC(C)(CCC#N)C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000153305668 527000888 /nfs/dbraw/zinc/00/08/88/527000888.db2.gz AXHCZDLLZFJVHB-ZDUSSCGKSA-N 1 0 307.388 3.463 10 30 DGEERO C=CCC(CC=C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000133835424 527029227 /nfs/dbraw/zinc/02/92/27/527029227.db2.gz IGWFNOBLVJHOTM-UHFFFAOYSA-N 1 0 304.409 3.272 10 30 DGEERO C=CC[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342098174 527130637 /nfs/dbraw/zinc/13/06/37/527130637.db2.gz DUOARFFNFVQVLF-WMZOPIPTSA-N 1 0 315.461 3.305 10 30 DGEERO C=CC[C@H](CO)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000341288623 527185737 /nfs/dbraw/zinc/18/57/37/527185737.db2.gz DYDJGYKQYRUDPI-AWEZNQCLSA-N 1 0 300.377 3.162 10 30 DGEERO C=CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccccc1 ZINC000358850331 527340743 /nfs/dbraw/zinc/34/07/43/527340743.db2.gz AAEMGZCQSASHQW-CYBMUJFWSA-N 1 0 302.447 3.173 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000424173040 527497606 /nfs/dbraw/zinc/49/76/06/527497606.db2.gz MOICVYVIJXGKAK-BBRMVZONSA-N 1 0 317.820 3.411 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000424172493 527497910 /nfs/dbraw/zinc/49/79/10/527497910.db2.gz OEJBGMFTHKWUEL-TYBQKPPPSA-N 1 0 301.430 3.417 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424294893 527499413 /nfs/dbraw/zinc/49/94/13/527499413.db2.gz LRPCUOAZRBARGS-BQFCYCMXSA-N 1 0 316.401 3.097 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000181485056 528361911 /nfs/dbraw/zinc/36/19/11/528361911.db2.gz FNNDDAHYYKIWDS-HNNXBMFYSA-N 1 0 309.413 3.253 10 30 DGEERO Cc1nc(C2(NC(=O)CC[N@H+]3CCCC[C@@H]3C)CCCC2)no1 ZINC000328802487 546481487 /nfs/dbraw/zinc/48/14/87/546481487.db2.gz ZXZMZIADBSENQK-ZDUSSCGKSA-N 1 0 320.437 3.368 10 30 DGEERO N#C[C@H]1C[N@H+](Cn2ccc(=S)c3ccccc32)CCN1C1CC1 ZINC000732673042 574578576 /nfs/dbraw/zinc/57/85/76/574578576.db2.gz SUWHSKYHPKEROI-HNNXBMFYSA-N 1 0 324.453 3.000 10 30 DGEERO C=CCCCCC[N@@H+](C)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000739886179 574914747 /nfs/dbraw/zinc/91/47/47/574914747.db2.gz XZSQSXVBBZAKHL-UHFFFAOYSA-N 1 0 315.417 3.459 10 30 DGEERO C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C(\C)c1ccccc1Cl ZINC000729812183 575263920 /nfs/dbraw/zinc/26/39/20/575263920.db2.gz OGJBEKCVIOGCTM-ZQHYZAEZSA-N 1 0 317.816 3.384 10 30 DGEERO Cc1ccc(N=NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000727260355 576116703 /nfs/dbraw/zinc/11/67/03/576116703.db2.gz VDIQLUQFWPISDN-UHFFFAOYSA-N 1 0 319.412 3.326 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)c1cccc(F)c1 ZINC000121339045 621268275 /nfs/dbraw/zinc/26/82/75/621268275.db2.gz XKBUTYNFFAXBQD-LSDHHAIUSA-N 1 0 305.393 3.206 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000130397841 625845227 /nfs/dbraw/zinc/84/52/27/625845227.db2.gz RKESCAHGVXYKNE-ZBFHGGJFSA-N 1 0 301.386 3.446 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000130398084 625845830 /nfs/dbraw/zinc/84/58/30/625845830.db2.gz RKESCAHGVXYKNE-GOEBONIOSA-N 1 0 301.386 3.446 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000131111720 625944948 /nfs/dbraw/zinc/94/49/48/625944948.db2.gz BUGOAMQYQZBSRV-UHFFFAOYSA-N 1 0 321.428 3.203 10 30 DGEERO C[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000221270826 627217165 /nfs/dbraw/zinc/21/71/65/627217165.db2.gz CWXLPIHVHSGGCC-UONOGXRCSA-N 1 0 309.454 3.161 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCCc2nc3ccccc3[nH]2)c1 ZINC000104171559 627411774 /nfs/dbraw/zinc/41/17/74/627411774.db2.gz ORPVZQOLHIQDID-UHFFFAOYSA-N 1 0 307.401 3.231 10 30 DGEERO [NH2+]=C(NCCc1ccccc1)NCc1ccc(C(F)F)cc1 ZINC000184879361 660192471 /nfs/dbraw/zinc/19/24/71/660192471.db2.gz MEGVKZXCBREOKU-UHFFFAOYSA-N 1 0 303.356 3.271 10 30 DGEERO C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC000700731783 660633897 /nfs/dbraw/zinc/63/38/97/660633897.db2.gz JAXAFVPHSSKLBK-CJNGLKHVSA-N 1 0 315.417 3.046 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000722589427 655524869 /nfs/dbraw/zinc/52/48/69/655524869.db2.gz CWSBASXUYMJJPC-VXGBXAGGSA-N 1 0 312.866 3.162 10 30 DGEERO C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC(F)(F)F ZINC000724055877 655739386 /nfs/dbraw/zinc/73/93/86/655739386.db2.gz BSLCTKYOJVKIRO-RQJHMYQMSA-N 1 0 317.220 3.113 10 30 DGEERO COc1ccc(NC(=[NH2+])NCC2(C(F)(F)F)CC2)cc1Cl ZINC000262685676 655861800 /nfs/dbraw/zinc/86/18/00/655861800.db2.gz YGVFQPHBNQUWON-UHFFFAOYSA-N 1 0 321.730 3.418 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000716932990 661234091 /nfs/dbraw/zinc/23/40/91/661234091.db2.gz GFQVRVOVCSDREI-NSHDSACASA-N 1 0 316.626 3.230 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299986223 656231324 /nfs/dbraw/zinc/23/13/24/656231324.db2.gz MHQGLIYGCJKMBM-CAOSSQGBSA-N 1 0 321.465 3.304 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](SC)c1ccccc1 ZINC000178457437 656363901 /nfs/dbraw/zinc/36/39/01/656363901.db2.gz YUUPSAHOTKYEOI-WBVHZDCISA-N 1 0 319.470 3.368 10 30 DGEERO CC(C)(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C(C)(F)F ZINC000724084764 656508840 /nfs/dbraw/zinc/50/88/40/656508840.db2.gz SHNIFYXRYNWADE-MRVPVSSYSA-N 1 0 313.257 3.206 10 30 DGEERO Cc1ccc(CCNC(=[NH2+])NCCc2cccs2)c(C)c1 ZINC000303874237 657569850 /nfs/dbraw/zinc/56/98/50/657569850.db2.gz HBAKUTXSXVNDQH-UHFFFAOYSA-N 1 0 301.459 3.054 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000303877472 657569878 /nfs/dbraw/zinc/56/98/78/657569878.db2.gz FHLUMVWJHLVSBV-OAHLLOKOSA-N 1 0 303.793 3.109 10 30 DGEERO Cc1ccc([C@H](CNC(=[NH2+])Nc2cccc(C)c2)N(C)C)cc1 ZINC000303897341 657574927 /nfs/dbraw/zinc/57/49/27/657574927.db2.gz UXSUVKJNWIGVIX-SFHVURJKSA-N 1 0 310.445 3.333 10 30 DGEERO CC(C)CCNC(=[NH2+])NCc1cc(F)cc(Br)c1 ZINC000303899137 657575179 /nfs/dbraw/zinc/57/51/79/657575179.db2.gz VZLJEVAUKAHEKH-UHFFFAOYSA-N 1 0 316.218 3.039 10 30 DGEERO CCc1cccc(NC(=[NH2+])NCCCc2nc(C(C)C)no2)c1 ZINC000303904504 657577004 /nfs/dbraw/zinc/57/70/04/657577004.db2.gz YUQANTZQCJAUDE-UHFFFAOYSA-N 1 0 315.421 3.115 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccc(-n3cccn3)cc2)c1 ZINC000303910823 657578479 /nfs/dbraw/zinc/57/84/79/657578479.db2.gz ZEURIDRSKABZLS-UHFFFAOYSA-N 1 0 305.385 3.108 10 30 DGEERO CC[C@H](CNC(=[NH2+])NC1CC1)Cc1cccc(Br)c1 ZINC000304268166 657615959 /nfs/dbraw/zinc/61/59/59/657615959.db2.gz HMBANSBVQQGLTE-NSHDSACASA-N 1 0 324.266 3.085 10 30 DGEERO [NH2+]=C(NCCc1cc2ccccc2o1)NCCc1cccs1 ZINC000304755383 657647059 /nfs/dbraw/zinc/64/70/59/657647059.db2.gz MRPAYCZNDFPCPU-UHFFFAOYSA-N 1 0 313.426 3.184 10 30 DGEERO COc1cccc(OCCCNC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000304765729 657650439 /nfs/dbraw/zinc/65/04/39/657650439.db2.gz ZPZPVCRPXDMIOE-UHFFFAOYSA-N 1 0 313.401 3.199 10 30 DGEERO COc1cccc(O[C@H](C)CNC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000304782783 657652084 /nfs/dbraw/zinc/65/20/84/657652084.db2.gz GWMILNACRSFQPL-CQSZACIVSA-N 1 0 313.401 3.198 10 30 DGEERO Cc1cccc2[nH]cc(CCNC(=[NH2+])NCCc3ccccc3)c21 ZINC000303979024 657701334 /nfs/dbraw/zinc/70/13/34/657701334.db2.gz MSIQCFNOPZPXCG-UHFFFAOYSA-N 1 0 320.440 3.166 10 30 DGEERO CCc1ccc(NC(=[NH2+])NCc2nc3c(cccc3C)[nH]2)cc1 ZINC000305705836 657729728 /nfs/dbraw/zinc/72/97/28/657729728.db2.gz HSTACSZOLLSXJH-UHFFFAOYSA-N 1 0 307.401 3.361 10 30 DGEERO COc1ccc(OC)c(NC(=[NH2+])N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000262552607 657744873 /nfs/dbraw/zinc/74/48/73/657744873.db2.gz ZJDIKOYBMVSNKR-GJZGRUSLSA-N 1 0 317.433 3.399 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cc2nc(C)ccc2o1 ZINC000179181994 658375193 /nfs/dbraw/zinc/37/51/93/658375193.db2.gz VOVXSEFGSMKYPL-CQSZACIVSA-N 1 0 314.385 3.027 10 30 DGEERO C[NH+]=C(NCc1nccn1CC(C)C)NC1CCC(C)(C)CC1 ZINC000089067902 658645225 /nfs/dbraw/zinc/64/52/25/658645225.db2.gz KVKDXCZKFWBMQE-UHFFFAOYSA-N 1 0 319.497 3.173 10 30 DGEERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cncc(C#N)c1 ZINC000721597383 658740484 /nfs/dbraw/zinc/74/04/84/658740484.db2.gz KFJKGDNYECLZQN-QGZVFWFLSA-N 1 0 320.440 3.050 10 30 DGEERO C=CCc1cc(OC)cc(CN(C)C[C@H]2CCC[N@H+]2CC)c1O ZINC000164445718 658935505 /nfs/dbraw/zinc/93/55/05/658935505.db2.gz FFRVGERJAKLPLA-QGZVFWFLSA-N 1 0 318.461 3.045 10 30 DGEERO COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C#N)CC2)c1O ZINC000057824049 659033935 /nfs/dbraw/zinc/03/39/35/659033935.db2.gz FMQHLTSCLMCJOX-UHFFFAOYSA-N 1 0 324.380 3.068 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000227689217 659161884 /nfs/dbraw/zinc/16/18/84/659161884.db2.gz WDHBWAZURDCPOR-CQSZACIVSA-N 1 0 320.433 3.254 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCN(C)C(=O)OC(C)(C)C)cc1 ZINC000227761640 659163864 /nfs/dbraw/zinc/16/38/64/659163864.db2.gz GAOUETVHVUUGBU-UHFFFAOYSA-N 1 0 320.433 3.208 10 30 DGEERO N#Cc1ccccc1CSCCNC(=[NH2+])NC1CCCCC1 ZINC000170908062 659246393 /nfs/dbraw/zinc/24/63/93/659246393.db2.gz YMQXPNVKCKGXKC-UHFFFAOYSA-N 1 0 316.474 3.028 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccnc1Cl ZINC000090107110 659508042 /nfs/dbraw/zinc/50/80/42/659508042.db2.gz KBLIFHXVRIWJPF-LBPRGKRZSA-N 1 0 301.777 3.336 10 30 DGEERO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCSC2)ccc1OC ZINC000183603610 660126026 /nfs/dbraw/zinc/12/60/26/660126026.db2.gz XVDHQUHAPDAFMG-LSDHHAIUSA-N 1 0 320.458 3.361 10 30 DGEERO C#CC[N@@H+](Cc1ccc(OCc2nccn2C)cc1)C1CCCC1 ZINC000155795705 661852541 /nfs/dbraw/zinc/85/25/41/661852541.db2.gz VNYIXKZZFZKRQW-UHFFFAOYSA-N 1 0 323.440 3.377 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000245733768 662240019 /nfs/dbraw/zinc/24/00/19/662240019.db2.gz KCHRZFRZKAKHNP-KBPBESRZSA-N 1 0 309.417 3.061 10 30 DGEERO C#CC[C@@H](COC)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000716948720 685275936 /nfs/dbraw/zinc/27/59/36/685275936.db2.gz RCPNJOFBCIJBQX-XHDPSFHLSA-N 1 0 308.219 3.064 10 30 DGEERO C[NH+]=C(NCc1ccc(Br)s1)N[C@@H](C)C(C)C ZINC000262947987 685125065 /nfs/dbraw/zinc/12/50/65/685125065.db2.gz BFZZEQNFJYMTTO-VIFPVBQESA-N 1 0 318.284 3.220 10 30 DGEERO CC(C)[N@H+](C)CCCNc1ccc(C#N)c(Br)c1 ZINC000226253441 1176766904 /nfs/dbraw/zinc/76/69/04/1176766904.db2.gz KRNXZTHNNITRNW-UHFFFAOYSA-N 1 0 310.239 3.463 10 30 DGEERO C#C[C@@](C)(CC)[NH2+]Cc1ccc(I)cc1 ZINC000384178271 1177093180 /nfs/dbraw/zinc/09/31/80/1177093180.db2.gz PBJHAWVHUKXMFP-ZDUSSCGKSA-N 1 0 313.182 3.183 10 30 DGEERO CCN(C)CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905467 1195572451 /nfs/dbraw/zinc/57/24/51/1195572451.db2.gz HUQBKPMCHXOADV-UHFFFAOYSA-N 1 0 323.440 3.179 10 30 DGEERO C=CCOc1ccc(CNC[C@H](CC)[NH+]2CCCC2)cc1OC ZINC000075776418 1196420347 /nfs/dbraw/zinc/42/03/47/1196420347.db2.gz RNJJNOZFUBCXRN-KRWDZBQOSA-N 1 0 318.461 3.224 10 30 DGEERO C=CC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401957449 1199427428 /nfs/dbraw/zinc/42/74/28/1199427428.db2.gz QELKAYMDPQOEEU-IAGOWNOFSA-N 1 0 302.418 3.342 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CO)c2ccccc2)cc1OC ZINC000116345879 1199796652 /nfs/dbraw/zinc/79/66/52/1199796652.db2.gz GTGDQMRKHSUZRZ-KRWDZBQOSA-N 1 0 313.397 3.083 10 30 DGEERO N#Cc1ccc(Br)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000123362806 1200277634 /nfs/dbraw/zinc/27/76/34/1200277634.db2.gz DUNBDBICLQWBST-ZIAGYGMSSA-N 1 0 320.234 3.359 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)c1 ZINC000123370562 1200278042 /nfs/dbraw/zinc/27/80/42/1200278042.db2.gz VTGXJJCJRFPURQ-UZLBHIALSA-N 1 0 311.425 3.333 10 30 DGEERO C[C@H]1C[C@@H](Nc2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000123364014 1200278406 /nfs/dbraw/zinc/27/84/06/1200278406.db2.gz WEJNXBPHEGSLGJ-GWCFXTLKSA-N 1 0 308.223 3.215 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H](C)C2CCOCC2)cc(OC)c1O ZINC000134478678 1201200964 /nfs/dbraw/zinc/20/09/64/1201200964.db2.gz ANECZZKKBMUACO-ZDUSSCGKSA-N 1 0 305.418 3.034 10 30 DGEERO C[C@H](Cc1ccsc1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156634068 1202601107 /nfs/dbraw/zinc/60/11/07/1202601107.db2.gz RVWICCHRAKLVOK-DYVFJYSZSA-N 1 0 300.427 3.216 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1OC ZINC000157133311 1202601944 /nfs/dbraw/zinc/60/19/44/1202601944.db2.gz KFNVQVXABURKAD-AEFFLSMTSA-N 1 0 317.429 3.307 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1OC ZINC000157133752 1202602012 /nfs/dbraw/zinc/60/20/12/1202602012.db2.gz KFNVQVXABURKAD-FUHWJXTLSA-N 1 0 317.429 3.307 10 30 DGEERO C=CCc1cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc(OC)c1O ZINC000157145708 1202602029 /nfs/dbraw/zinc/60/20/29/1202602029.db2.gz YUAATPPPKOBFFC-IRXDYDNUSA-N 1 0 317.429 3.177 10 30 DGEERO C[C@H]1C[C@H](Nc2cc(Br)ccc2C#N)C[N@@H+]1C1CC1 ZINC000235686892 1202604722 /nfs/dbraw/zinc/60/47/22/1202604722.db2.gz DPTREDQAMXMOSI-GWCFXTLKSA-N 1 0 320.234 3.358 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000236686737 1202620759 /nfs/dbraw/zinc/62/07/59/1202620759.db2.gz HDOFTBQAKYPUIJ-QGZVFWFLSA-N 1 0 322.408 3.147 10 30 DGEERO Cc1cc2c(cc1C)[N@+](CC(N)=O)(Cc1ccc(F)cc1)C=N2 ZINC000249700088 717164612 /nfs/dbraw/zinc/16/46/12/717164612.db2.gz GKRQIDDXWWUWSF-QFIPXVFZSA-O 1 0 312.368 3.109 10 30 DGEERO CC[C@H](CC#N)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405307239 1094332046 /nfs/dbraw/zinc/33/20/46/1094332046.db2.gz MVDQFRFRDVAHKD-MCIONIFRSA-N 1 0 307.438 3.104 10 30 DGEERO CC[C@H](CC#N)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405307237 1094332136 /nfs/dbraw/zinc/33/21/36/1094332136.db2.gz MVDQFRFRDVAHKD-HZSPNIEDSA-N 1 0 307.438 3.104 10 30 DGEERO N#Cc1ccncc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310201939 231113317 /nfs/dbraw/zinc/11/33/17/231113317.db2.gz BXUQQBOIYXIRSM-CEXWTWQISA-N 1 0 318.424 3.276 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000090107669 185282765 /nfs/dbraw/zinc/28/27/65/185282765.db2.gz RDLZFPRPMDMPLJ-CYBMUJFWSA-N 1 0 310.353 3.017 10 30 DGEERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092587944 185327803 /nfs/dbraw/zinc/32/78/03/185327803.db2.gz VPMAEYIUDHOQNN-JKSUJKDBSA-N 1 0 301.434 3.238 10 30 DGEERO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000181755854 199348091 /nfs/dbraw/zinc/34/80/91/199348091.db2.gz WOXRTUQJMNRDJQ-CQSZACIVSA-N 1 0 324.380 3.059 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)CSc2ccccc2C)CC1 ZINC000106039870 432019967 /nfs/dbraw/zinc/01/99/67/432019967.db2.gz YRBBWUFCNXVTRU-UHFFFAOYSA-N 1 0 318.486 3.244 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177854251 186193824 /nfs/dbraw/zinc/19/38/24/186193824.db2.gz YQRIVVFENDNOLO-HOTGVXAUSA-N 1 0 300.446 3.482 10 30 DGEERO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1C#N ZINC000179046008 432035877 /nfs/dbraw/zinc/03/58/77/432035877.db2.gz NLSCIEPMAGNTCK-QUCCMNQESA-N 1 0 321.424 3.102 10 30 DGEERO C=CCC[C@H](CC)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189049399 200341842 /nfs/dbraw/zinc/34/18/42/200341842.db2.gz YTLBAEAKORFAAA-IRXDYDNUSA-N 1 0 304.409 3.261 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189056067 200342037 /nfs/dbraw/zinc/34/20/37/200342037.db2.gz NGCUXZDYELRIPA-GRDNDAEWSA-N 1 0 304.409 3.117 10 30 DGEERO C=C(C)CN(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000180832796 432103267 /nfs/dbraw/zinc/10/32/67/432103267.db2.gz AHHHVXVMRCPRGP-GOSISDBHSA-N 1 0 315.461 3.259 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449237380 240083647 /nfs/dbraw/zinc/08/36/47/240083647.db2.gz NUOKNPADYOWMAI-GHMZBOCLSA-N 1 0 304.217 3.287 10 30 DGEERO COc1ccc(-n2cc(C[NH2+]CC3CCC(C#N)CC3)cn2)cc1 ZINC000449306361 240123170 /nfs/dbraw/zinc/12/31/70/240123170.db2.gz WIPVWQGAWONSPU-UHFFFAOYSA-N 1 0 324.428 3.300 10 30 DGEERO C=CCOc1ccccc1CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000449346560 240145824 /nfs/dbraw/zinc/14/58/24/240145824.db2.gz NTAWXRCMVDMSOD-INIZCTEOSA-N 1 0 300.446 3.168 10 30 DGEERO N#CCCOCC[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451955259 241283864 /nfs/dbraw/zinc/28/38/64/241283864.db2.gz AVBJOWZPNNNHFT-UHFFFAOYSA-N 1 0 308.372 3.150 10 30 DGEERO C=CC[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000275193770 212186660 /nfs/dbraw/zinc/18/66/60/212186660.db2.gz XHJQDZMZHWDWKI-IPQPSQTFSA-N 1 0 312.457 3.478 10 30 DGEERO C=CCN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000472781795 244315730 /nfs/dbraw/zinc/31/57/30/244315730.db2.gz BUFRYMIAYWPAFN-KRWDZBQOSA-N 1 0 317.433 3.457 10 30 DGEERO CCc1cccc(CC)c1NC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190092465 432121558 /nfs/dbraw/zinc/12/15/58/432121558.db2.gz UQUAVHZHLQPREY-OAGGEKHMSA-N 1 0 301.434 3.106 10 30 DGEERO N#Cc1cc(F)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000171385635 432128732 /nfs/dbraw/zinc/12/87/32/432128732.db2.gz XJNRJHXLIGJAIJ-UHFFFAOYSA-N 1 0 301.409 3.005 10 30 DGEERO CC[N@@H+]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246449171 432131601 /nfs/dbraw/zinc/13/16/01/432131601.db2.gz FFTXYXMPGHLVSP-YJBOKZPZSA-N 1 0 304.865 3.354 10 30 DGEERO Cc1ccn(-c2ccccc2C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000136404506 284501590 /nfs/dbraw/zinc/50/15/90/284501590.db2.gz TVHGDOLXMDNQJG-UHFFFAOYSA-N 1 0 302.381 3.342 10 30 DGEERO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000136464167 284502995 /nfs/dbraw/zinc/50/29/95/284502995.db2.gz BFBLZSXONIQTAI-HNNXBMFYSA-N 1 0 310.397 3.254 10 30 DGEERO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)s1)C2 ZINC000181680253 432141637 /nfs/dbraw/zinc/14/16/37/432141637.db2.gz CFFSFIKMDCQTAG-AAEUAGOBSA-N 1 0 314.410 3.283 10 30 DGEERO CCCCCCCOc1ccc(CC[C@@]([NH3+])(CO)CCO)cc1 ZINC000042989630 183326301 /nfs/dbraw/zinc/32/63/01/183326301.db2.gz UJWZZRMCHWJDLW-IBGZPJMESA-N 1 0 323.477 3.041 10 30 DGEERO N#Cc1ccccc1O[C@@H](C[NH3+])c1ccccc1Br ZINC000043094520 183336830 /nfs/dbraw/zinc/33/68/30/183336830.db2.gz GHGQKSHEHDXXMH-HNNXBMFYSA-N 1 0 317.186 3.400 10 30 DGEERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(CCC#N)C1CC1 ZINC000043093411 183336856 /nfs/dbraw/zinc/33/68/56/183336856.db2.gz FVMOEBNOEVYHEE-ABAIWWIYSA-N 1 0 322.250 3.215 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)[C@@H](C)CC#N ZINC000063085502 184269769 /nfs/dbraw/zinc/26/97/69/184269769.db2.gz BPBIXIBNQVBSPC-TUKIKUTGSA-N 1 0 324.266 3.461 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@@H](C)CC#N ZINC000063085424 184269807 /nfs/dbraw/zinc/26/98/07/184269807.db2.gz UVWXHOGTQOYYJK-GLQYFDAESA-N 1 0 324.266 3.461 10 30 DGEERO Cc1cc(C#N)cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342847044 254064698 /nfs/dbraw/zinc/06/46/98/254064698.db2.gz GOPWYIAZNCTMBL-KDOFPFPSSA-N 1 0 306.413 3.194 10 30 DGEERO C=CCOC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(C)s2)O1 ZINC000248063472 257111248 /nfs/dbraw/zinc/11/12/48/257111248.db2.gz DPHQBOKDTYJFOC-XIRDDKMYSA-N 1 0 307.459 3.381 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CCSc3ccccc3)n2c1 ZINC000123184895 195553754 /nfs/dbraw/zinc/55/37/54/195553754.db2.gz SVOQMRFUXCQDBG-UHFFFAOYSA-N 1 0 308.410 3.088 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000595078341 400100485 /nfs/dbraw/zinc/10/04/85/400100485.db2.gz URWFNQMNRYVOGE-QZTJIDSGSA-N 1 0 317.429 3.351 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000581378365 400079342 /nfs/dbraw/zinc/07/93/42/400079342.db2.gz IBJZIBPHIGMCHT-QGZVFWFLSA-N 1 0 307.482 3.106 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000581864001 400083321 /nfs/dbraw/zinc/08/33/21/400083321.db2.gz ZWIDWFCIABFGRQ-KRWDZBQOSA-N 1 0 302.462 3.282 10 30 DGEERO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000586790582 400157536 /nfs/dbraw/zinc/15/75/36/400157536.db2.gz FJHTWCSZYWCVEM-INIZCTEOSA-N 1 0 320.440 3.315 10 30 DGEERO C=C(C)C[NH+]1CCC(NCc2nc3ccccc3n2CC)CC1 ZINC000106245132 400326185 /nfs/dbraw/zinc/32/61/85/400326185.db2.gz VAAGTEMAAQEBMA-UHFFFAOYSA-N 1 0 312.461 3.186 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2cc(C)nc(-c3ccccn3)n2)CC1 ZINC000068702355 400280323 /nfs/dbraw/zinc/28/03/23/400280323.db2.gz WMELBFUEWBTSBP-UHFFFAOYSA-N 1 0 323.444 3.299 10 30 DGEERO C=CCOCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611559907 400421214 /nfs/dbraw/zinc/42/12/14/400421214.db2.gz KQVPIGWQFHAJGN-SFHVURJKSA-N 1 0 312.369 3.476 10 30 DGEERO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000611588178 400428221 /nfs/dbraw/zinc/42/82/21/400428221.db2.gz ZSGKELSRYSZVNU-CQSZACIVSA-N 1 0 309.388 3.364 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000125380376 400481747 /nfs/dbraw/zinc/48/17/47/400481747.db2.gz WPVWYNJOCZSCRB-SFHVURJKSA-N 1 0 315.461 3.259 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2SC)c1 ZINC000592375921 400641154 /nfs/dbraw/zinc/64/11/54/400641154.db2.gz UGOOJJFUPMEGTB-ZACQAIPSSA-N 1 0 307.459 3.250 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCCC[C@H]2CO)ccc1OC ZINC000152340194 400679110 /nfs/dbraw/zinc/67/91/10/400679110.db2.gz HDDGDIXUFWZVLQ-DLBZAZTESA-N 1 0 319.445 3.291 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@@](C)(O)CCC(C)C)cc(OC)c1O ZINC000077455778 400718524 /nfs/dbraw/zinc/71/85/24/400718524.db2.gz JSEFIEACRKXIRX-IBGZPJMESA-N 1 0 321.461 3.406 10 30 DGEERO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000618967226 400730995 /nfs/dbraw/zinc/73/09/95/400730995.db2.gz VCRSGGDZNGWADP-MRXNPFEDSA-N 1 0 304.353 3.318 10 30 DGEERO C=CC[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000188264684 400908112 /nfs/dbraw/zinc/90/81/12/400908112.db2.gz XULBDEHEXCZFMA-AEFFLSMTSA-N 1 0 300.446 3.337 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000629586557 400984724 /nfs/dbraw/zinc/98/47/24/400984724.db2.gz AYQVPHZMOKHVQZ-MRXNPFEDSA-N 1 0 315.461 3.206 10 30 DGEERO C=CCCCCC[N@@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000606902249 400979107 /nfs/dbraw/zinc/97/91/07/400979107.db2.gz IMERCFMJDXZIDW-UHFFFAOYSA-N 1 0 313.445 3.301 10 30 DGEERO C=CCCn1cc(CSCC[N@@H+](C)Cc2ccccc2)nn1 ZINC000594448097 401071774 /nfs/dbraw/zinc/07/17/74/401071774.db2.gz AFZZQKUACQSFGD-UHFFFAOYSA-N 1 0 316.474 3.219 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1coc(-c2ccccc2F)n1 ZINC000625460884 401134909 /nfs/dbraw/zinc/13/49/09/401134909.db2.gz ZDNOTMBLJLCWKF-CVEARBPZSA-N 1 0 302.349 3.304 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594518702 401095851 /nfs/dbraw/zinc/09/58/51/401095851.db2.gz KPIAHNQFHAZGHG-JQHSSLGASA-N 1 0 315.413 3.031 10 30 DGEERO C=C(C)[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC)c1ccc(F)c(F)c1 ZINC000594947567 401202875 /nfs/dbraw/zinc/20/28/75/401202875.db2.gz VISOWKULHNQLHD-VSBTWAGUSA-N 1 0 309.356 3.369 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000594968971 401212968 /nfs/dbraw/zinc/21/29/68/401212968.db2.gz YCCCHSPBUAOZLR-ZOCZFRKYSA-N 1 0 307.459 3.031 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625784144 401216561 /nfs/dbraw/zinc/21/65/61/401216561.db2.gz GZKQMPKLCAEVMU-CRAIPNDOSA-N 1 0 313.445 3.102 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000625702406 401185515 /nfs/dbraw/zinc/18/55/15/401185515.db2.gz FIAIFFCDXRSRKL-HNNXBMFYSA-N 1 0 302.418 3.312 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000625705239 401187894 /nfs/dbraw/zinc/18/78/94/401187894.db2.gz ZDMLCVMFDPMRPU-LBPRGKRZSA-N 1 0 308.809 3.185 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1OC ZINC000631301341 401448465 /nfs/dbraw/zinc/44/84/65/401448465.db2.gz PZHWOIZTTIJKLL-HNNXBMFYSA-N 1 0 313.401 3.081 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC2CCN(CC(F)F)CC2)cc1 ZINC000623089113 401463233 /nfs/dbraw/zinc/46/32/33/401463233.db2.gz VEXSOHLXKKCMLW-UHFFFAOYSA-N 1 0 324.415 3.318 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@@H](c2nccn2C)c2ccccc2)C1 ZINC000623399804 401508500 /nfs/dbraw/zinc/50/85/00/401508500.db2.gz AGKIJGXBYJKYGM-NVXWUHKLSA-N 1 0 324.428 3.117 10 30 DGEERO C=CC[C@H](CO)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623483803 401528887 /nfs/dbraw/zinc/52/88/87/401528887.db2.gz SLWDJNQWHCECIW-NSHDSACASA-N 1 0 321.314 3.041 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000623693257 401568931 /nfs/dbraw/zinc/56/89/31/401568931.db2.gz DOHNHESVDCCWQC-OAHLLOKOSA-N 1 0 305.466 3.001 10 30 DGEERO C=CCCn1cc(C[NH2+]CC2(C(F)(F)F)CCCC2)nn1 ZINC000623788368 401579370 /nfs/dbraw/zinc/57/93/70/401579370.db2.gz YKYITJYIXAUBGZ-UHFFFAOYSA-N 1 0 302.344 3.067 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000623626583 401558594 /nfs/dbraw/zinc/55/85/94/401558594.db2.gz ZHGIEYOLQSRUMK-OAHLLOKOSA-N 1 0 310.388 3.071 10 30 DGEERO C=CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000628964732 401651244 /nfs/dbraw/zinc/65/12/44/401651244.db2.gz GVVAHVFMSWECEV-RBUKOAKNSA-N 1 0 312.457 3.479 10 30 DGEERO C=CC(C)(C)CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000624470044 401663504 /nfs/dbraw/zinc/66/35/04/401663504.db2.gz LLTSEDFPMAAOEP-ZDUSSCGKSA-N 1 0 309.479 3.252 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)C1 ZINC000633259020 401667124 /nfs/dbraw/zinc/66/71/24/401667124.db2.gz OVMLXKQWXUZYFB-UHFFFAOYSA-N 1 0 304.478 3.456 10 30 DGEERO C=CCCC(C)(C)CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000633287123 401669705 /nfs/dbraw/zinc/66/97/05/401669705.db2.gz BVFSAHSASTWZRP-UHFFFAOYSA-N 1 0 307.482 3.295 10 30 DGEERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328643963 296643730 /nfs/dbraw/zinc/64/37/30/296643730.db2.gz FPJHLGRZEVHXLX-AHEZYBDSSA-N 1 0 317.433 3.131 10 30 DGEERO Cn1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c(-c2ccc(C#N)cc2)n1 ZINC000189714492 165174296 /nfs/dbraw/zinc/17/42/96/165174296.db2.gz JZUWWGBOYSIBEN-KRWDZBQOSA-N 1 0 324.428 3.006 10 30 DGEERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191386842 165248848 /nfs/dbraw/zinc/24/88/48/165248848.db2.gz SFLOIOXUJDPVIQ-RHSMWYFYSA-N 1 0 309.413 3.283 10 30 DGEERO C[C@H]([NH2+]CCCSCC#N)c1ccccc1-n1cccn1 ZINC000183174336 228371796 /nfs/dbraw/zinc/37/17/96/228371796.db2.gz WWVBROPMVCVYFP-AWEZNQCLSA-N 1 0 300.431 3.170 10 30 DGEERO COC1CCC(CNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000262723626 228646140 /nfs/dbraw/zinc/64/61/40/228646140.db2.gz XHPYCUJDWLYFBA-UHFFFAOYSA-N 1 0 315.461 3.497 10 30 DGEERO O=C(CNC(=O)CC1CCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000330106972 228976213 /nfs/dbraw/zinc/97/62/13/228976213.db2.gz LOJMIVYCPLHCTA-UHFFFAOYSA-N 1 0 321.465 3.497 10 30 DGEERO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)c1C ZINC000330267026 228986049 /nfs/dbraw/zinc/98/60/49/228986049.db2.gz QFURUEORXBLTSE-RRQGHBQHSA-N 1 0 302.418 3.437 10 30 DGEERO CC(C)COC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000193765143 263800558 /nfs/dbraw/zinc/80/05/58/263800558.db2.gz DCNLASSRJSOYFF-UHFFFAOYSA-N 1 0 302.418 3.074 10 30 DGEERO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000247422214 432229567 /nfs/dbraw/zinc/22/95/67/432229567.db2.gz OBYOPBMGTXTABW-YJBOKZPZSA-N 1 0 316.445 3.054 10 30 DGEERO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1F ZINC000358558697 267179473 /nfs/dbraw/zinc/17/94/73/267179473.db2.gz CYXXLKWFSOUPSM-ZDUSSCGKSA-N 1 0 301.409 3.222 10 30 DGEERO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(C#N)cc1F ZINC000358578741 267180332 /nfs/dbraw/zinc/18/03/32/267180332.db2.gz WKQDEDSOCWWSLG-ZDUSSCGKSA-N 1 0 301.409 3.365 10 30 DGEERO Cc1cc(C#N)nc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000376205941 267316693 /nfs/dbraw/zinc/31/66/93/267316693.db2.gz UTXDDVFGSOWTSK-OAHLLOKOSA-N 1 0 321.428 3.294 10 30 DGEERO C[C@@H]1CCC[N@@H+]1C1CCN(c2snc(Cl)c2C#N)CC1 ZINC000301781668 274292537 /nfs/dbraw/zinc/29/25/37/274292537.db2.gz NGXQVFXRSLSVCZ-SNVBAGLBSA-N 1 0 310.854 3.121 10 30 DGEERO Cc1ccccc1[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000158921569 274808960 /nfs/dbraw/zinc/80/89/60/274808960.db2.gz VBNRAUMPHVOXKY-MRXNPFEDSA-N 1 0 306.413 3.145 10 30 DGEERO C[NH+](C)C1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000175746384 276773063 /nfs/dbraw/zinc/77/30/63/276773063.db2.gz CETXGHAFCYDHBQ-UHFFFAOYSA-N 1 0 310.363 3.083 10 30 DGEERO C=CCOc1ccccc1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000348636179 276906469 /nfs/dbraw/zinc/90/64/69/276906469.db2.gz PYRYOBFKKKNOTG-FUHWJXTLSA-N 1 0 300.446 3.310 10 30 DGEERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc2c1OCO2 ZINC000330160251 277573700 /nfs/dbraw/zinc/57/37/00/277573700.db2.gz QYTZLOZOKIGIBT-ZDUSSCGKSA-N 1 0 319.405 3.006 10 30 DGEERO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccnn1C ZINC000193013036 278337289 /nfs/dbraw/zinc/33/72/89/278337289.db2.gz MOEDJBKEOQJZHN-GFCCVEGCSA-N 1 0 307.319 3.141 10 30 DGEERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000193025295 278975280 /nfs/dbraw/zinc/97/52/80/278975280.db2.gz ZPBQXQOOPFSTNR-RDJZCZTQSA-N 1 0 303.450 3.216 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000328914865 279503807 /nfs/dbraw/zinc/50/38/07/279503807.db2.gz QMPGKBUXIVDGDI-CSDUCGJJSA-N 1 0 321.465 3.397 10 30 DGEERO C=CCC[C@@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccc(C)nn1 ZINC000072480466 431335009 /nfs/dbraw/zinc/33/50/09/431335009.db2.gz ZDIKFPWZHLDUND-KSZLIROESA-N 1 0 313.445 3.397 10 30 DGEERO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1nccs1 ZINC000072479538 431336553 /nfs/dbraw/zinc/33/65/53/431336553.db2.gz SESZAAKPZJHYLB-HNNXBMFYSA-N 1 0 303.431 3.384 10 30 DGEERO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1nccc(C)n1 ZINC000072428780 431337223 /nfs/dbraw/zinc/33/72/23/431337223.db2.gz AYBHYTVCDXATOP-KRWDZBQOSA-N 1 0 312.417 3.026 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716811 431376588 /nfs/dbraw/zinc/37/65/88/431376588.db2.gz OKETVKVKPWZPJE-QWHCGFSZSA-N 1 0 310.388 3.429 10 30 DGEERO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1 ZINC000008248450 431388147 /nfs/dbraw/zinc/38/81/47/431388147.db2.gz FJMVSDHMJUKBRF-SECBINFHSA-N 1 0 321.352 3.187 10 30 DGEERO C=C(C)C[N@@H+](CC)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000114712607 431406215 /nfs/dbraw/zinc/40/62/15/431406215.db2.gz VGVJMUOXBQQWPM-GOSISDBHSA-N 1 0 316.445 3.257 10 30 DGEERO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116288921 431498993 /nfs/dbraw/zinc/49/89/93/431498993.db2.gz INLDBQHYYWFAOB-ZDUSSCGKSA-N 1 0 315.398 3.378 10 30 DGEERO COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)c1 ZINC000117390030 431560563 /nfs/dbraw/zinc/56/05/63/431560563.db2.gz MDPAPVFDOAASQK-GOSISDBHSA-N 1 0 321.424 3.325 10 30 DGEERO COc1cccc(N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)c1 ZINC000117390026 431560614 /nfs/dbraw/zinc/56/06/14/431560614.db2.gz MDPAPVFDOAASQK-SFHVURJKSA-N 1 0 321.424 3.325 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000076737841 431562706 /nfs/dbraw/zinc/56/27/06/431562706.db2.gz OZVBIODKITZPGG-HUUCEWRRSA-N 1 0 304.434 3.159 10 30 DGEERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118398607 431604499 /nfs/dbraw/zinc/60/44/99/431604499.db2.gz PXUMDLKHSHMUFL-AWEZNQCLSA-N 1 0 309.417 3.110 10 30 DGEERO Cc1ccccc1OCC[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000121535073 431800007 /nfs/dbraw/zinc/80/00/07/431800007.db2.gz OHOAJENNQJIAJS-UHFFFAOYSA-N 1 0 320.396 3.025 10 30 DGEERO C=CC[N@@H+](C)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000121576638 431802865 /nfs/dbraw/zinc/80/28/65/431802865.db2.gz WNGWHYQYXKXJHY-IBGZPJMESA-N 1 0 311.425 3.271 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000123654786 431870360 /nfs/dbraw/zinc/87/03/60/431870360.db2.gz DQMAIBVBARHQRE-CABCVRRESA-N 1 0 315.335 3.139 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000123655065 431870634 /nfs/dbraw/zinc/87/06/34/431870634.db2.gz DQMAIBVBARHQRE-GJZGRUSLSA-N 1 0 315.335 3.139 10 30 DGEERO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)n2c1 ZINC000124965327 431910206 /nfs/dbraw/zinc/91/02/06/431910206.db2.gz YAYBSHROOHAYAT-GOSISDBHSA-N 1 0 316.408 3.413 10 30 DGEERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000092797750 431912357 /nfs/dbraw/zinc/91/23/57/431912357.db2.gz BFHHLPNSQOQWPH-INIZCTEOSA-N 1 0 317.433 3.131 10 30 DGEERO C=CCc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1O ZINC000093644158 431915279 /nfs/dbraw/zinc/91/52/79/431915279.db2.gz DERIMUBUZXWLKP-WMLDXEAASA-N 1 0 318.461 3.044 10 30 DGEERO C=CCC(CC=C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000125652918 431932851 /nfs/dbraw/zinc/93/28/51/431932851.db2.gz JQMCKDWYYHUXSE-SFHVURJKSA-N 1 0 300.446 3.044 10 30 DGEERO CC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340447 431969287 /nfs/dbraw/zinc/96/92/87/431969287.db2.gz HXKSBTCRYDBXBN-YOEHRIQHSA-N 1 0 304.434 3.117 10 30 DGEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)s1)CC2 ZINC000183319471 432282380 /nfs/dbraw/zinc/28/23/80/432282380.db2.gz HFRFVPDVWWDZID-NWDGAFQWSA-N 1 0 315.446 3.000 10 30 DGEERO Cc1cc(C)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 ZINC000060526904 431999962 /nfs/dbraw/zinc/99/99/62/431999962.db2.gz HYWIPCOFFNDZHL-UHFFFAOYSA-N 1 0 320.440 3.201 10 30 DGEERO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248059876 432266888 /nfs/dbraw/zinc/26/68/88/432266888.db2.gz OZMLKZDUBITLET-SJORKVTESA-N 1 0 301.434 3.039 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000191956064 432317836 /nfs/dbraw/zinc/31/78/36/432317836.db2.gz YOHBAFLZMCXXSO-MRXNPFEDSA-N 1 0 318.461 3.188 10 30 DGEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2cccc(Br)c2)C1 ZINC000248876705 432325800 /nfs/dbraw/zinc/32/58/00/432325800.db2.gz RCTOOWYIMYGMAX-KCPJHIHWSA-N 1 0 323.234 3.154 10 30 DGEERO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248906866 432329169 /nfs/dbraw/zinc/32/91/69/432329169.db2.gz WUZYAUDNSXQOIR-GOEBONIOSA-N 1 0 315.442 3.046 10 30 DGEERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccc(C#N)cc1 ZINC000173981252 432311743 /nfs/dbraw/zinc/31/17/43/432311743.db2.gz QGHBEQRHIWXJCM-UZLBHIALSA-N 1 0 307.441 3.382 10 30 DGEERO Cc1cc[n+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000184552686 432405050 /nfs/dbraw/zinc/40/50/50/432405050.db2.gz PLVGSKJLSIDRAX-HNNXBMFYSA-N 1 0 321.322 3.279 10 30 DGEERO N#Cc1ccc(OCC[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000193008503 432438314 /nfs/dbraw/zinc/43/83/14/432438314.db2.gz NOXNFHCGFOGPNS-IBGZPJMESA-N 1 0 307.397 3.474 10 30 DGEERO C=CC[N@@H+](CCO[C@@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000193046198 432442634 /nfs/dbraw/zinc/44/26/34/432442634.db2.gz MLGIFPMNEXDDHI-QGZVFWFLSA-N 1 0 320.389 3.126 10 30 DGEERO Cc1cccc2c(NCCCc3[nH]nc(N)c3C#N)c(C)c[nH+]c12 ZINC000185253465 432484877 /nfs/dbraw/zinc/48/48/77/432484877.db2.gz IGXZAFGMERZKIN-UHFFFAOYSA-N 1 0 320.400 3.073 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193771667 432497939 /nfs/dbraw/zinc/49/79/39/432497939.db2.gz LQMFQEDZAQRMNA-AEFFLSMTSA-N 1 0 300.446 3.227 10 30 DGEERO [NH2+]=C(Nc1ccccn1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262688664 432498300 /nfs/dbraw/zinc/49/83/00/432498300.db2.gz BPDWRTCTBNFGJI-YEORSEQZSA-N 1 0 302.328 3.033 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186709729 432623880 /nfs/dbraw/zinc/62/38/80/432623880.db2.gz AAYZWWUWMQEIJF-FZMZJTMJSA-N 1 0 301.308 3.099 10 30 DGEERO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccs1 ZINC000195485303 432624826 /nfs/dbraw/zinc/62/48/26/432624826.db2.gz CLCUOEYTUZSRPY-CQSZACIVSA-N 1 0 313.426 3.346 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N(C)[C@H](C)c2ccccc2C)CC1 ZINC000264355990 432638206 /nfs/dbraw/zinc/63/82/06/432638206.db2.gz NMDYTSDQGBPJAC-MRXNPFEDSA-N 1 0 315.461 3.348 10 30 DGEERO CC(C)[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1cccnc1 ZINC000177595613 432641272 /nfs/dbraw/zinc/64/12/72/432641272.db2.gz FKSLGDQUTTYQMW-SFHVURJKSA-N 1 0 319.412 3.130 10 30 DGEERO C[NH+]1CCC(Oc2ccc(NCc3ccc(C#N)cc3)cn2)CC1 ZINC000160071930 432706744 /nfs/dbraw/zinc/70/67/44/432706744.db2.gz OWKZQOAUAPOQPC-UHFFFAOYSA-N 1 0 322.412 3.038 10 30 DGEERO Cc1ccc([C@@H]2CN(Cc3ccc(F)c(C#N)c3)CCO2)o1 ZINC000159149151 432671957 /nfs/dbraw/zinc/67/19/57/432671957.db2.gz NUTXNWOWOGCQCJ-KRWDZBQOSA-N 1 0 300.333 3.172 10 30 DGEERO C=C(C)COc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)ccc1OC ZINC000276059514 432769038 /nfs/dbraw/zinc/76/90/38/432769038.db2.gz SHHOOHVVYAYQPV-QAQDUYKDSA-N 1 0 319.445 3.385 10 30 DGEERO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000178865257 432784046 /nfs/dbraw/zinc/78/40/46/432784046.db2.gz YRTUNIGFDJGKHC-MRXNPFEDSA-N 1 0 314.433 3.109 10 30 DGEERO Cc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)nc1C#N ZINC000189665284 432808922 /nfs/dbraw/zinc/80/89/22/432808922.db2.gz NEMXOLNWXOJASD-UHFFFAOYSA-N 1 0 320.440 3.381 10 30 DGEERO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000246002466 432873756 /nfs/dbraw/zinc/87/37/56/432873756.db2.gz JZABORGVJBERKO-WOJBJXKFSA-N 1 0 322.408 3.437 10 30 DGEERO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245982311 432874117 /nfs/dbraw/zinc/87/41/17/432874117.db2.gz HBCAKLSGGWLPNR-UIAACRFSSA-N 1 0 306.409 3.470 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)c(C)c1 ZINC000330271697 432900644 /nfs/dbraw/zinc/90/06/44/432900644.db2.gz WIDCWWBNHQJZDE-JQFCIGGWSA-N 1 0 302.418 3.437 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c(C)c1 ZINC000330271699 432900661 /nfs/dbraw/zinc/90/06/61/432900661.db2.gz WIDCWWBNHQJZDE-XKQJLSEDSA-N 1 0 302.418 3.437 10 30 DGEERO C=C[C@@](C)(CCOC)C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000373689198 433159819 /nfs/dbraw/zinc/15/98/19/433159819.db2.gz ZRLVUHYDVNTTHO-IBGZPJMESA-N 1 0 314.429 3.332 10 30 DGEERO C=CCn1c(C)nnc1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000453439200 433187635 /nfs/dbraw/zinc/18/76/35/433187635.db2.gz KAUPXSUEKLRATN-UHFFFAOYSA-N 1 0 319.497 3.109 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000425358809 433195070 /nfs/dbraw/zinc/19/50/70/433195070.db2.gz UTIHTKAQODDRAP-KMFMINBZSA-N 1 0 307.409 3.194 10 30 DGEERO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000338810130 433323995 /nfs/dbraw/zinc/32/39/95/433323995.db2.gz YBUFUHWCFAGHDX-CVEARBPZSA-N 1 0 317.481 3.042 10 30 DGEERO C=CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374786503 433277007 /nfs/dbraw/zinc/27/70/07/433277007.db2.gz ZPYZMNPCTJVUIN-MRXNPFEDSA-N 1 0 324.428 3.418 10 30 DGEERO C=CCCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000448033688 433356849 /nfs/dbraw/zinc/35/68/49/433356849.db2.gz YZOLBQMCDXGKTQ-DLBZAZTESA-N 1 0 308.853 3.268 10 30 DGEERO C=CCCCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000447998310 433340858 /nfs/dbraw/zinc/34/08/58/433340858.db2.gz FROINCKKIRUCPK-IBGZPJMESA-N 1 0 315.461 3.307 10 30 DGEERO C=CCCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000448380994 433402073 /nfs/dbraw/zinc/40/20/73/433402073.db2.gz IFFIRVOWPGGCJG-IRXDYDNUSA-N 1 0 307.482 3.249 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000376116517 433670621 /nfs/dbraw/zinc/67/06/21/433670621.db2.gz PRNZDUOVBHXFQP-STQMWFEESA-N 1 0 323.868 3.463 10 30 DGEERO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000283355962 433709330 /nfs/dbraw/zinc/70/93/30/433709330.db2.gz MUDDAKPQBDIMHS-UONOGXRCSA-N 1 0 317.433 3.464 10 30 DGEERO Cc1cc(C#N)cc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000343026268 433769581 /nfs/dbraw/zinc/76/95/81/433769581.db2.gz MXFJRWBWVPDSCF-LJQANCHMSA-N 1 0 320.440 3.584 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@H](CO)C2)ccc1OC ZINC000414562475 433723003 /nfs/dbraw/zinc/72/30/03/433723003.db2.gz CATOAYOVDFTIBB-IRXDYDNUSA-N 1 0 319.445 3.291 10 30 DGEERO C[NH+](C)Cc1ccc(CNc2snc(Cl)c2C#N)cc1F ZINC000301892092 433779398 /nfs/dbraw/zinc/77/93/98/433779398.db2.gz RSCRICMCJRPPEB-UHFFFAOYSA-N 1 0 324.812 3.481 10 30 DGEERO CC[NH+](CC)[C@@H](C(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000356969198 433794456 /nfs/dbraw/zinc/79/44/56/433794456.db2.gz HOLXZFDFXHAYCC-QGZVFWFLSA-N 1 0 313.445 3.222 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000436305712 433935248 /nfs/dbraw/zinc/93/52/48/433935248.db2.gz GTDZFUQKVNWQKA-UGXKVIGPSA-N 1 0 301.430 3.305 10 30 DGEERO Cc1cc(C#N)cc(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000303742132 433963900 /nfs/dbraw/zinc/96/39/00/433963900.db2.gz WMYMVZAUWIMTQG-UHFFFAOYSA-N 1 0 306.413 3.338 10 30 DGEERO C=CCC[C@H](O)C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000305100319 434038357 /nfs/dbraw/zinc/03/83/57/434038357.db2.gz XNCVVNRBMZSPSL-SFHVURJKSA-N 1 0 301.430 3.217 10 30 DGEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)CC1CCCC1 ZINC000352814776 434051307 /nfs/dbraw/zinc/05/13/07/434051307.db2.gz JOFJMCTYNDQZKW-MRXNPFEDSA-N 1 0 307.434 3.091 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC000363448451 434053766 /nfs/dbraw/zinc/05/37/66/434053766.db2.gz YWOALCCNYONFBM-MRXNPFEDSA-N 1 0 315.461 3.074 10 30 DGEERO Cc1cc(C#N)cc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)n1 ZINC000324161461 434272963 /nfs/dbraw/zinc/27/29/63/434272963.db2.gz PPLUWBORZUWABO-MRXNPFEDSA-N 1 0 320.440 3.220 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000384299264 434290267 /nfs/dbraw/zinc/29/02/67/434290267.db2.gz YFXVIIBWJFODPM-YPMHNXCESA-N 1 0 312.866 3.304 10 30 DGEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3cc(C)oc3C)C2)n1 ZINC000328629537 434291260 /nfs/dbraw/zinc/29/12/60/434291260.db2.gz OXPDBTJAQNYYGQ-OAHLLOKOSA-N 1 0 302.378 3.148 10 30 DGEERO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328643964 434291927 /nfs/dbraw/zinc/29/19/27/434291927.db2.gz FPJHLGRZEVHXLX-JSSFPYSZSA-N 1 0 317.433 3.131 10 30 DGEERO O=C(C[NH2+][C@H]1CCC(=O)NC12CCC2)Nc1cc(F)cc(F)c1 ZINC000328712449 434300533 /nfs/dbraw/zinc/30/05/33/434300533.db2.gz RSFDOLPNSISVRK-ZDUSSCGKSA-N 1 0 323.343 3.184 10 30 DGEERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1CCCCNC1=O ZINC000328752033 434306562 /nfs/dbraw/zinc/30/65/62/434306562.db2.gz CTENCLVDAHSCTI-LSDHHAIUSA-N 1 0 309.454 3.354 10 30 DGEERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328779565 434310101 /nfs/dbraw/zinc/31/01/01/434310101.db2.gz IXDLNRPTOQXZEH-CABCVRRESA-N 1 0 309.454 3.210 10 30 DGEERO C#CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365767485 434310715 /nfs/dbraw/zinc/31/07/15/434310715.db2.gz YUPAOTXBCVMFPY-MOPGFXCFSA-N 1 0 324.468 3.016 10 30 DGEERO C[C@H](CNC(=O)C[C@H]1CCCCNC1=O)C[NH+]1CCCCC1 ZINC000328879499 434320069 /nfs/dbraw/zinc/32/00/69/434320069.db2.gz VGAYWKHNCNWRAG-HUUCEWRRSA-N 1 0 309.454 3.212 10 30 DGEERO C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)[C@@H]1C ZINC000328904202 434325128 /nfs/dbraw/zinc/32/51/28/434325128.db2.gz IZBXZBKEXJBKSU-YYTKTWKHSA-N 1 0 321.465 3.255 10 30 DGEERO C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1cccs1 ZINC000328922024 434327356 /nfs/dbraw/zinc/32/73/56/434327356.db2.gz UFOYMZVDUHWBOY-IETSOEAISA-N 1 0 321.446 3.253 10 30 DGEERO C=CCOc1cccc(C[N@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000366246374 434370403 /nfs/dbraw/zinc/37/04/03/434370403.db2.gz DTZWFHIFLXGJSU-IEBWSBKVSA-N 1 0 317.429 3.021 10 30 DGEERO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358560627 434396245 /nfs/dbraw/zinc/39/62/45/434396245.db2.gz FKNYPKLQLMNYAD-IPGIQXSYSA-N 1 0 322.449 3.428 10 30 DGEERO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358566062 434397830 /nfs/dbraw/zinc/39/78/30/434397830.db2.gz ICOGHEPHQVVFAM-RYUDHWBXSA-N 1 0 306.381 3.468 10 30 DGEERO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000408148052 434544557 /nfs/dbraw/zinc/54/45/57/434544557.db2.gz KERKPBVLMXOBFN-UONOGXRCSA-N 1 0 314.433 3.044 10 30 DGEERO C#Cc1ccc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc1 ZINC000370730476 434618897 /nfs/dbraw/zinc/61/88/97/434618897.db2.gz OJWSHXQDSDFRMT-GOSISDBHSA-N 1 0 310.397 3.064 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000424169299 434643687 /nfs/dbraw/zinc/64/36/87/434643687.db2.gz HKLUWEXRIKXLFD-OALUTQOASA-N 1 0 324.424 3.341 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000424173410 434644390 /nfs/dbraw/zinc/64/43/90/434644390.db2.gz PSRUXZGVPDANCQ-LEAZDLGRSA-N 1 0 314.473 3.220 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000424174841 434646586 /nfs/dbraw/zinc/64/65/86/434646586.db2.gz ORKXDWPDEOFXHM-HOCLYGCPSA-N 1 0 300.427 3.491 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000424174330 434647555 /nfs/dbraw/zinc/64/75/55/434647555.db2.gz OCXUAWOAZIVOND-AAEUAGOBSA-N 1 0 301.308 3.108 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000424294021 434681874 /nfs/dbraw/zinc/68/18/74/434681874.db2.gz JRWYACJKWYQMEL-JQFCIGGWSA-N 1 0 319.445 3.124 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000424300649 434684951 /nfs/dbraw/zinc/68/49/51/434684951.db2.gz YIRUDRMVDSAAEM-BBWFWOEESA-N 1 0 319.445 3.206 10 30 DGEERO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000371743422 434746629 /nfs/dbraw/zinc/74/66/29/434746629.db2.gz ITQDVVVHLWPQHL-MSOLQXFVSA-N 1 0 321.486 3.293 10 30 DGEERO C#CCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000371624372 434732914 /nfs/dbraw/zinc/73/29/14/434732914.db2.gz KTVVNWGJKFJOFS-UXHICEINSA-N 1 0 324.468 3.446 10 30 DGEERO CN1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]1c1cccs1 ZINC000442791155 434771784 /nfs/dbraw/zinc/77/17/84/434771784.db2.gz NEMNLSZDAZZJOG-HWMZRRJGSA-N 1 0 303.475 3.413 10 30 DGEERO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992576 434852682 /nfs/dbraw/zinc/85/26/82/434852682.db2.gz VKGDZLFGCMWBBI-ZWKOTPCHSA-N 1 0 310.441 3.043 10 30 DGEERO N#C[C@@H](C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccn1 ZINC000554007337 434908547 /nfs/dbraw/zinc/90/85/47/434908547.db2.gz WFJKDFKHHMDDNQ-QGZVFWFLSA-N 1 0 305.381 3.167 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCCC2(C)C)CC1 ZINC000527768310 435014782 /nfs/dbraw/zinc/01/47/82/435014782.db2.gz KZNHJLNPXYJYJW-HNNXBMFYSA-N 1 0 307.482 3.152 10 30 DGEERO C=CCOc1cccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000527804260 435015797 /nfs/dbraw/zinc/01/57/97/435015797.db2.gz CPLIFVXDTLKTRV-IBGZPJMESA-N 1 0 322.408 3.168 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527889538 435016320 /nfs/dbraw/zinc/01/63/20/435016320.db2.gz FMWRYSJBKLCFMV-RKDXNWHRSA-N 1 0 320.177 3.315 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000527924145 435016915 /nfs/dbraw/zinc/01/69/15/435016915.db2.gz HCZPJAMRXORVPI-SJLPKXTDSA-N 1 0 301.478 3.484 10 30 DGEERO CC#CCC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528580142 435026087 /nfs/dbraw/zinc/02/60/87/435026087.db2.gz YUBWLUXYLWOSFA-UHFFFAOYSA-N 1 0 301.434 3.395 10 30 DGEERO C=CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000467103892 435109318 /nfs/dbraw/zinc/10/93/18/435109318.db2.gz KTFFYRSBVGUWNY-ZBFHGGJFSA-N 1 0 321.490 3.349 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000533434916 435236335 /nfs/dbraw/zinc/23/63/35/435236335.db2.gz JVRFNPKXUIYQHH-SFHVURJKSA-N 1 0 302.462 3.440 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000566323680 435286269 /nfs/dbraw/zinc/28/62/69/435286269.db2.gz YSHZNZUEWJQNFL-YHOLWWCESA-N 1 0 319.493 3.151 10 30 DGEERO C=CCCCCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000566434390 435287212 /nfs/dbraw/zinc/28/72/12/435287212.db2.gz UNGYSGIHMRDWBJ-KRWDZBQOSA-N 1 0 307.482 3.393 10 30 DGEERO C=CCOc1ccc(-c2nnc(SC[C@@H](C)[NH+](C)C)o2)cc1 ZINC000479089796 435317375 /nfs/dbraw/zinc/31/73/75/435317375.db2.gz JVTQRKAKXRSPLG-GFCCVEGCSA-N 1 0 319.430 3.344 10 30 DGEERO C=CCNC(=O)C[NH+]1CCC(CC)(Cc2ccccc2)CC1 ZINC000483131842 435498652 /nfs/dbraw/zinc/49/86/52/435498652.db2.gz SCRGTJAXJZKMBR-UHFFFAOYSA-N 1 0 300.446 3.024 10 30 DGEERO C=CCCCCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570411450 435618317 /nfs/dbraw/zinc/61/83/17/435618317.db2.gz OPVXAUGZVUSRAB-GOSISDBHSA-N 1 0 300.446 3.371 10 30 DGEERO CC(C)C1CCC([NH+]2CCN(c3ccncc3C#N)CC2)CC1 ZINC000547835029 314401048 /nfs/dbraw/zinc/40/10/48/314401048.db2.gz YMZOFIXHPPBKKC-UHFFFAOYSA-N 1 0 312.461 3.290 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182274610 323290146 /nfs/dbraw/zinc/29/01/46/323290146.db2.gz SFAGJVUTDUSYFF-GFCCVEGCSA-N 1 0 310.353 3.146 10 30 DGEERO CC(C)c1cnc(C[NH2+]CCOc2ccc(C#N)cc2)s1 ZINC000183818094 323348393 /nfs/dbraw/zinc/34/83/93/323348393.db2.gz VTENNGYCGNWWMO-UHFFFAOYSA-N 1 0 301.415 3.307 10 30 DGEERO CC[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nccs1 ZINC000185084523 323380131 /nfs/dbraw/zinc/38/01/31/323380131.db2.gz UODYQKBDPSFULZ-NSHDSACASA-N 1 0 320.443 3.146 10 30 DGEERO C=CCC[C@@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000321066046 337193043 /nfs/dbraw/zinc/19/30/43/337193043.db2.gz YZAAGXWSVTVBQP-NSHDSACASA-N 1 0 302.187 3.005 10 30 DGEERO C=CCC[C@H](CO)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000321066043 337193053 /nfs/dbraw/zinc/19/30/53/337193053.db2.gz YZAAGXWSVTVBQP-LLVKDONJSA-N 1 0 302.187 3.005 10 30 DGEERO C=CCc1cc(C[NH2+]CCOCC2CCC2)cc(OC)c1O ZINC000582819127 337200108 /nfs/dbraw/zinc/20/01/08/337200108.db2.gz UJXMHCFTFGBEKT-UHFFFAOYSA-N 1 0 305.418 3.036 10 30 DGEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000248876706 337568197 /nfs/dbraw/zinc/56/81/97/337568197.db2.gz RCTOOWYIMYGMAX-UGFHNGPFSA-N 1 0 323.234 3.154 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1OC ZINC000527738945 337763263 /nfs/dbraw/zinc/76/32/63/337763263.db2.gz ZTOXZSRXZCWSNS-HNNXBMFYSA-N 1 0 305.418 3.166 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)N1CCO[C@H](C2CCCCC2)C1 ZINC000541718386 338010715 /nfs/dbraw/zinc/01/07/15/338010715.db2.gz JDAVWYHLMLXAPN-WMZOPIPTSA-N 1 0 322.493 3.081 10 30 DGEERO COc1ccc(OC)c(C[N@H+](CCCSCC#N)C2CC2)c1 ZINC000074980557 341158664 /nfs/dbraw/zinc/15/86/64/341158664.db2.gz WAMREROOKBALSS-UHFFFAOYSA-N 1 0 320.458 3.315 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000547624147 341223517 /nfs/dbraw/zinc/22/35/17/341223517.db2.gz QHVCCJKCRWVCCV-ZDUSSCGKSA-N 1 0 317.458 3.372 10 30 DGEERO C=CCCCN(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000080219305 341270988 /nfs/dbraw/zinc/27/09/88/341270988.db2.gz FJVPTCMBOUVWKI-UHFFFAOYSA-N 1 0 309.498 3.352 10 30 DGEERO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246860335 341358003 /nfs/dbraw/zinc/35/80/03/341358003.db2.gz POJAHZUBKIYHHM-DLBZAZTESA-N 1 0 305.393 3.190 10 30 DGEERO C=C(CC)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000455529840 534410760 /nfs/dbraw/zinc/41/07/60/534410760.db2.gz YSEZRYKBNVYUEV-UHFFFAOYSA-N 1 0 301.434 3.048 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000449120432 534695552 /nfs/dbraw/zinc/69/55/52/534695552.db2.gz CXHBOFAWPXKVPZ-AEFFLSMTSA-N 1 0 302.462 3.410 10 30 DGEERO C=CCCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493984738 534736899 /nfs/dbraw/zinc/73/68/99/534736899.db2.gz JKGJXSMIWPIIAG-GOEBONIOSA-N 1 0 310.800 3.307 10 30 DGEERO N#Cc1csc(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000299738492 534829212 /nfs/dbraw/zinc/82/92/12/534829212.db2.gz BKWTVPKCFOKHCO-CQSZACIVSA-N 1 0 312.442 3.142 10 30 DGEERO C=CC[N@@H+](CCc1cnn(CC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000348269635 526329164 /nfs/dbraw/zinc/32/91/64/526329164.db2.gz HXLSRVMKVJZGKB-UHFFFAOYSA-N 1 0 314.389 3.042 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708263 526542465 /nfs/dbraw/zinc/54/24/65/526542465.db2.gz ROGOJBQEPWHTMC-INIZCTEOSA-N 1 0 312.457 3.347 10 30 DGEERO C=C(C)C[NH+]1CCC(NCc2nccn2Cc2ccccc2)CC1 ZINC000344241485 526603882 /nfs/dbraw/zinc/60/38/82/526603882.db2.gz WBTMZPUIMAHVQN-UHFFFAOYSA-N 1 0 324.472 3.062 10 30 DGEERO C=C(C)COCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358967623 526657675 /nfs/dbraw/zinc/65/76/75/526657675.db2.gz UCGFYHUZWSNIDF-SFHVURJKSA-N 1 0 311.429 3.432 10 30 DGEERO C=CC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429354012 526677707 /nfs/dbraw/zinc/67/77/07/526677707.db2.gz LPAOHBHAEXNLDS-APWZRJJASA-N 1 0 313.372 3.352 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000185171435 526710569 /nfs/dbraw/zinc/71/05/69/526710569.db2.gz VVUMUJPIKXHONU-HNNXBMFYSA-N 1 0 310.507 3.067 10 30 DGEERO C=CCOCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339205428 526782317 /nfs/dbraw/zinc/78/23/17/526782317.db2.gz VYOXDFDGVPXVHZ-CVEARBPZSA-N 1 0 312.816 3.017 10 30 DGEERO C=CCOc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000341051555 526846278 /nfs/dbraw/zinc/84/62/78/526846278.db2.gz FCHPUUTXDAGOHG-HZPDHXFCSA-N 1 0 316.445 3.244 10 30 DGEERO C=CCOc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000354174284 526872334 /nfs/dbraw/zinc/87/23/34/526872334.db2.gz BGEULSYXMUUODM-LJQANCHMSA-N 1 0 300.446 3.169 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000355656666 526873341 /nfs/dbraw/zinc/87/33/41/526873341.db2.gz KIGOOULVSKLTOF-IEBWSBKVSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000348653740 526873783 /nfs/dbraw/zinc/87/37/83/526873783.db2.gz WVNAQUGBKDTLCU-WMZOPIPTSA-N 1 0 300.446 3.310 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000184276750 527103023 /nfs/dbraw/zinc/10/30/23/527103023.db2.gz HRLDOPQIXOAGGQ-IBGZPJMESA-N 1 0 322.408 3.164 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000343532580 527141752 /nfs/dbraw/zinc/14/17/52/527141752.db2.gz IFJPIRFUDGQAJA-CUSZFKRNSA-N 1 0 300.446 3.366 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000161171314 527192269 /nfs/dbraw/zinc/19/22/69/527192269.db2.gz TXDQHHOKVGZOMB-UHFFFAOYSA-N 1 0 314.385 3.035 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000349835117 527211252 /nfs/dbraw/zinc/21/12/52/527211252.db2.gz OPAPLYYJCLYATG-WMLDXEAASA-N 1 0 319.449 3.148 10 30 DGEERO C=CCCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000448380988 527218047 /nfs/dbraw/zinc/21/80/47/527218047.db2.gz IFFIRVOWPGGCJG-DLBZAZTESA-N 1 0 307.482 3.249 10 30 DGEERO CC(=O)c1ccc(C#N)cc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000302060053 527228122 /nfs/dbraw/zinc/22/81/22/527228122.db2.gz SMDKDTLIQACMLO-UHFFFAOYSA-N 1 0 311.429 3.073 10 30 DGEERO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000359514234 527274918 /nfs/dbraw/zinc/27/49/18/527274918.db2.gz JUWCQPUBONWMOT-UONOGXRCSA-N 1 0 304.394 3.221 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000359509527 527275715 /nfs/dbraw/zinc/27/57/15/527275715.db2.gz RARWCWOMKZVXIT-KRWDZBQOSA-N 1 0 312.461 3.197 10 30 DGEERO C=CCC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000342740798 527318624 /nfs/dbraw/zinc/31/86/24/527318624.db2.gz XRUCJQKDZBYEEA-INIZCTEOSA-N 1 0 300.446 3.322 10 30 DGEERO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000446845895 527426607 /nfs/dbraw/zinc/42/66/07/527426607.db2.gz SHQCHCOJMOLAJH-SJORKVTESA-N 1 0 304.482 3.422 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000424179899 527497853 /nfs/dbraw/zinc/49/78/53/527497853.db2.gz ZLJRTBAWRLGRBI-JSGCOSHPSA-N 1 0 311.809 3.038 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000424291508 527498893 /nfs/dbraw/zinc/49/88/93/527498893.db2.gz DOAVHNDROWZSOI-JQFCIGGWSA-N 1 0 303.402 3.090 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415668907 527506704 /nfs/dbraw/zinc/50/67/04/527506704.db2.gz DKYPYEDCBOYUFB-RDTXWAMCSA-N 1 0 301.434 3.254 10 30 DGEERO CC(C)[C@H]1C[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)CCO1 ZINC000263064814 527863672 /nfs/dbraw/zinc/86/36/72/527863672.db2.gz FYXQDDGXBJNEIC-XHDPSFHLSA-N 1 0 311.376 3.143 10 30 DGEERO CC(C)Cn1cc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cn1 ZINC000330044061 528712425 /nfs/dbraw/zinc/71/24/25/528712425.db2.gz APTYWCLOHRTJIO-OAHLLOKOSA-N 1 0 321.469 3.130 10 30 DGEERO CC[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1CCC[C@H]1C#N ZINC000262330595 528820465 /nfs/dbraw/zinc/82/04/65/528820465.db2.gz AWZMDAARDXTIIL-GOEBONIOSA-N 1 0 324.428 3.489 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000180334181 546144704 /nfs/dbraw/zinc/14/47/04/546144704.db2.gz RXFXIIRBMHBAPH-WBVHZDCISA-N 1 0 303.450 3.333 10 30 DGEERO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329176433 546483819 /nfs/dbraw/zinc/48/38/19/546483819.db2.gz MVMWENYODQOULV-SWLSCSKDSA-N 1 0 318.465 3.114 10 30 DGEERO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735311081 574697230 /nfs/dbraw/zinc/69/72/30/574697230.db2.gz JILXUBWGQXKMHH-JKSUJKDBSA-N 1 0 322.836 3.368 10 30 DGEERO C=C(Cl)CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000736399219 574747439 /nfs/dbraw/zinc/74/74/39/574747439.db2.gz VZWLRFNYZYHPTL-INIZCTEOSA-N 1 0 321.852 3.093 10 30 DGEERO C=C(C)CNC(=S)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000741500515 574960279 /nfs/dbraw/zinc/96/02/79/574960279.db2.gz ZCGFKRLGXUNTSS-HIFRSBDPSA-N 1 0 323.531 3.171 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CCN1CCc2ccccc21 ZINC000742718741 575014516 /nfs/dbraw/zinc/01/45/16/575014516.db2.gz ZDYNIKGSSUGFDD-UHFFFAOYSA-N 1 0 308.425 3.404 10 30 DGEERO C#CC[N@H+]1CCC[C@H]1COC(=O)CCSc1ccc(C)cc1 ZINC000729808469 575263345 /nfs/dbraw/zinc/26/33/45/575263345.db2.gz CDFUJONJUWVRKM-INIZCTEOSA-N 1 0 317.454 3.118 10 30 DGEERO CCNC(NCCc1cc(C)n(-c2ccccc2)c1C)=[NH+]CC ZINC000727242867 576114873 /nfs/dbraw/zinc/11/48/73/576114873.db2.gz MTIJAUVCYMDFRC-UHFFFAOYSA-N 1 0 312.461 3.212 10 30 DGEERO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)C2 ZINC000540976241 620460193 /nfs/dbraw/zinc/46/01/93/620460193.db2.gz CDBZVKGYNIECTG-IAQYHMDHSA-N 1 0 310.376 3.004 10 30 DGEERO COc1ccc(O)c(/C=N/Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000114990755 621071298 /nfs/dbraw/zinc/07/12/98/621071298.db2.gz KEHOKCQJECXMFI-RGVLZGJSSA-N 1 0 316.376 3.221 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)c1ccccc1F ZINC000121355724 621316689 /nfs/dbraw/zinc/31/66/89/621316689.db2.gz AKSZCXGINULFHU-GJZGRUSLSA-N 1 0 305.393 3.206 10 30 DGEERO CC(C)NC(=[NH2+])NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000123554112 622580157 /nfs/dbraw/zinc/58/01/57/622580157.db2.gz ATJDQNHZUDUASY-JOYOIKCWSA-N 1 0 300.233 3.410 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)cc1 ZINC000128205768 624796392 /nfs/dbraw/zinc/79/63/92/624796392.db2.gz JHRXZEWKOOUNJH-MJGOQNOKSA-N 1 0 301.430 3.120 10 30 DGEERO C#CCOc1ccccc1C[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000128234937 624802557 /nfs/dbraw/zinc/80/25/57/624802557.db2.gz RZWAZZBWBPHEFC-WMZOPIPTSA-N 1 0 301.430 3.120 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@H](C)CC1 ZINC000131105004 625943875 /nfs/dbraw/zinc/94/38/75/625943875.db2.gz NQWDJRYLMLHLPP-AWEZNQCLSA-N 1 0 309.417 3.205 10 30 DGEERO CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000218107053 627103924 /nfs/dbraw/zinc/10/39/24/627103924.db2.gz XKAIXGRMLLZZIF-PPWQZUPISA-N 1 0 307.438 3.104 10 30 DGEERO C#CC[N@@H+](CCC(=O)Nc1ccccc1OCC)C1CCCC1 ZINC000138354723 627166667 /nfs/dbraw/zinc/16/66/67/627166667.db2.gz WUCBPMZKAAYTHB-UHFFFAOYSA-N 1 0 314.429 3.292 10 30 DGEERO C#C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(C)C ZINC000707914858 660915188 /nfs/dbraw/zinc/91/51/88/660915188.db2.gz CRZWHIORRPIERQ-FZKCQIBNSA-N 1 0 306.450 3.022 10 30 DGEERO C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707909453 660915216 /nfs/dbraw/zinc/91/52/16/660915216.db2.gz IANOTARCMVZFRS-AVGNSLFASA-N 1 0 300.830 3.117 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)/C=C\c1ccnc(Cl)c1 ZINC000255376848 655720681 /nfs/dbraw/zinc/72/06/81/655720681.db2.gz XOZMHHZRFNCNMZ-QIAWRQBBSA-N 1 0 320.820 3.025 10 30 DGEERO C=C(C)[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000290800037 655726602 /nfs/dbraw/zinc/72/66/02/655726602.db2.gz SXPMQBPPMODCLH-JDFRZJQESA-N 1 0 322.399 3.429 10 30 DGEERO C#CCOc1ccccc1C[NH2+]CCc1cc(F)ccc1F ZINC000237751238 655797285 /nfs/dbraw/zinc/79/72/85/655797285.db2.gz NATPJLHCXPWYIH-UHFFFAOYSA-N 1 0 301.336 3.309 10 30 DGEERO C#CCOc1ccccc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000092223264 656023732 /nfs/dbraw/zinc/02/37/32/656023732.db2.gz JIEINXGSMPSKHH-UHFFFAOYSA-N 1 0 301.430 3.336 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](SC)c1ccccc1 ZINC000178457447 656363721 /nfs/dbraw/zinc/36/37/21/656363721.db2.gz YUUPSAHOTKYEOI-RDJZCZTQSA-N 1 0 319.470 3.368 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000303884215 657571671 /nfs/dbraw/zinc/57/16/71/657571671.db2.gz JABSGYHLYHGWDL-QGZVFWFLSA-N 1 0 302.466 3.232 10 30 DGEERO CCc1ccc(NC(=[NH2+])NCCCc2nc(C(C)C)no2)cc1 ZINC000303903384 657577309 /nfs/dbraw/zinc/57/73/09/657577309.db2.gz YIUGTBFBKUZWSG-UHFFFAOYSA-N 1 0 315.421 3.115 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2F)c1 ZINC000304798935 657651377 /nfs/dbraw/zinc/65/13/77/657651377.db2.gz NWFIPOMZZSEZRX-CYBMUJFWSA-N 1 0 301.365 3.328 10 30 DGEERO CCc1cnc(CCNC(=[NH2+])N[C@H](C)CCCC(C)C)s1 ZINC000304805762 657653571 /nfs/dbraw/zinc/65/35/71/657653571.db2.gz RNYUIJKTTAKOTD-CYBMUJFWSA-N 1 0 310.511 3.367 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000305001461 657664205 /nfs/dbraw/zinc/66/42/05/657664205.db2.gz BFZTVVWZQRQUBT-WBVHZDCISA-N 1 0 311.429 3.276 10 30 DGEERO CCO[C@H](CCNC(=[NH2+])NCCc1cccs1)C1CCCC1 ZINC000304484424 657709901 /nfs/dbraw/zinc/70/99/01/657709901.db2.gz JMFJDLADCHIUSC-MRXNPFEDSA-N 1 0 323.506 3.180 10 30 DGEERO COc1ccc(NC(=[NH2+])NCCc2cc(F)c(F)c(F)c2)cc1 ZINC000305817446 657736640 /nfs/dbraw/zinc/73/66/40/657736640.db2.gz ALKRNOADIFZIBB-UHFFFAOYSA-N 1 0 323.318 3.082 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000305708452 657920653 /nfs/dbraw/zinc/92/06/53/657920653.db2.gz WUEFJLMXIBNSIO-HNNXBMFYSA-N 1 0 321.783 3.248 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000227761583 659163749 /nfs/dbraw/zinc/16/37/49/659163749.db2.gz STYFCLSFYFWGQQ-UHFFFAOYSA-N 1 0 320.433 3.208 10 30 DGEERO CCCCCCCCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173528006 659391197 /nfs/dbraw/zinc/39/11/97/659391197.db2.gz XVOIKFWRCWYFTP-QGZVFWFLSA-N 1 0 307.482 3.393 10 30 DGEERO COc1ccc(C[NH2+][C@@H](C)CN(C)Cc2ccccc2)cc1C#N ZINC000182682574 660072922 /nfs/dbraw/zinc/07/29/22/660072922.db2.gz WTXIRILGHGPSIF-INIZCTEOSA-N 1 0 323.440 3.177 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000077460839 662027558 /nfs/dbraw/zinc/02/75/58/662027558.db2.gz AMAZAUDHMVSIEA-KRWDZBQOSA-N 1 0 303.427 3.310 10 30 DGEERO C=C(C)CC[NH2+]Cc1ccc(I)cc1 ZINC000386858947 1177426173 /nfs/dbraw/zinc/42/61/73/1177426173.db2.gz JETAIZVQSPQXIG-UHFFFAOYSA-N 1 0 301.171 3.347 10 30 DGEERO C=CCOc1ccc(CNc2cc(OC)cc[nH+]2)cc1OC ZINC000089806096 1198053742 /nfs/dbraw/zinc/05/37/42/1198053742.db2.gz YDIMUDQIKJTUNK-UHFFFAOYSA-N 1 0 300.358 3.276 10 30 DGEERO C[NH+](C)C[C@@H]1CCCN(c2cc(Br)ccc2C#N)C1 ZINC000405167730 1199593788 /nfs/dbraw/zinc/59/37/88/1199593788.db2.gz KDPOBIIJYXDMAL-LBPRGKRZSA-N 1 0 322.250 3.099 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)c1 ZINC000123369900 1200276977 /nfs/dbraw/zinc/27/69/77/1200276977.db2.gz VTGXJJCJRFPURQ-OXJNMPFZSA-N 1 0 311.425 3.333 10 30 DGEERO CCN(CCC[NH+](C)C)c1cc(Br)ccc1C#N ZINC000230713493 1202598515 /nfs/dbraw/zinc/59/85/15/1202598515.db2.gz YACSAZFRDJUOJF-UHFFFAOYSA-N 1 0 310.239 3.099 10 30 DGEERO C=CCN(CC=C)[C@H](C[NH2+]Cc1cccc2c[nH]nc21)C(C)C ZINC000236698965 1202621502 /nfs/dbraw/zinc/62/15/02/1202621502.db2.gz RSWTYXDFAFCCSE-GOSISDBHSA-N 1 0 312.461 3.351 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCN2CCC[C@@H](C)C2)cc1OC ZINC000237169901 1202653107 /nfs/dbraw/zinc/65/31/07/1202653107.db2.gz OKLZCIVGTGWGGG-MRXNPFEDSA-N 1 0 318.461 3.082 10 30 DGEERO C=C(CC)C[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720771739 1095775632 /nfs/dbraw/zinc/77/56/32/1095775632.db2.gz FYEKMLOJHVIJMT-QGZVFWFLSA-N 1 0 302.418 3.343 10 30 DGEERO Cc1cc(C#N)cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309779773 231105323 /nfs/dbraw/zinc/10/53/23/231105323.db2.gz DPRIJQYIBDZYNB-KRWDZBQOSA-N 1 0 306.413 3.196 10 30 DGEERO N#Cc1cccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000088755415 185264161 /nfs/dbraw/zinc/26/41/61/185264161.db2.gz XUZPFKUIOSLKGM-HNNXBMFYSA-N 1 0 313.351 3.205 10 30 DGEERO Cc1nc2c(s1)[C@H]([NH2+]CCOc1ccc(C#N)cc1)CCC2 ZINC000090106968 185282467 /nfs/dbraw/zinc/28/24/67/185282467.db2.gz LUDVWBZCSJLDRS-OAHLLOKOSA-N 1 0 313.426 3.369 10 30 DGEERO C=CCOc1ccccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129581950 432006916 /nfs/dbraw/zinc/00/69/16/432006916.db2.gz XVGMSFVURZZTEN-UHFFFAOYSA-N 1 0 316.445 3.102 10 30 DGEERO CCC[C@@H](C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[NH+](C)C ZINC000092928810 185349632 /nfs/dbraw/zinc/34/96/32/185349632.db2.gz FQBSCSJSLBKQBH-HNNXBMFYSA-N 1 0 303.406 3.014 10 30 DGEERO C[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(Cl)nc1 ZINC000171963203 198017220 /nfs/dbraw/zinc/01/72/20/198017220.db2.gz WHWOPGQOCRWQFP-UHFFFAOYSA-N 1 0 301.777 3.117 10 30 DGEERO Cc1cccc([C@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000173843831 198259133 /nfs/dbraw/zinc/25/91/33/198259133.db2.gz SKMXIFQBAAEYCH-INIZCTEOSA-N 1 0 306.413 3.145 10 30 DGEERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(C#N)cc1 ZINC000174025446 198282620 /nfs/dbraw/zinc/28/26/20/198282620.db2.gz LEPMYKDZKZFFRT-ZDUSSCGKSA-N 1 0 313.426 3.090 10 30 DGEERO CC(C)C(=O)Nc1sc2c(c1C#N)CC(C)(C)[NH2+]C2(C)C ZINC000004281263 181092112 /nfs/dbraw/zinc/09/21/12/181092112.db2.gz PMKAVHDYJSQZOW-UHFFFAOYSA-N 1 0 305.447 3.374 10 30 DGEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262370445 283092838 /nfs/dbraw/zinc/09/28/38/283092838.db2.gz XLCXFQOXTWYOAS-BPNCWPANSA-N 1 0 309.335 3.141 10 30 DGEERO C=CCC[C@@H](CCC)[NH2+]Cc1nn(C)cc1Br ZINC000449482314 240234938 /nfs/dbraw/zinc/23/49/38/240234938.db2.gz BKYJYTJSRJMESU-LLVKDONJSA-N 1 0 300.244 3.407 10 30 DGEERO N#Cc1ccccc1CSCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000171131582 432106787 /nfs/dbraw/zinc/10/67/87/432106787.db2.gz GIVYGYQMTRWOMR-UHFFFAOYSA-N 1 0 322.437 3.458 10 30 DGEERO N#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)o1 ZINC000091966756 193133945 /nfs/dbraw/zinc/13/39/45/193133945.db2.gz NEMBAIQLHKSEPM-YJBOKZPZSA-N 1 0 314.360 3.378 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451426975 241118926 /nfs/dbraw/zinc/11/89/26/241118926.db2.gz ZIEZMWMEJPLXIC-AEFFLSMTSA-N 1 0 317.477 3.361 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)NC1CCCCC1 ZINC000328851129 299363393 /nfs/dbraw/zinc/36/33/93/299363393.db2.gz UXVYWPZAVLBSOP-PEYYIBSZSA-N 1 0 307.438 3.151 10 30 DGEERO N#Cc1csc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000088755377 283942576 /nfs/dbraw/zinc/94/25/76/283942576.db2.gz STVPZTULZRMRSK-GFCCVEGCSA-N 1 0 319.380 3.266 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CC)c(OC)c2)CC1 ZINC000455890699 242305882 /nfs/dbraw/zinc/30/58/82/242305882.db2.gz BTTWKMJCADKURT-UHFFFAOYSA-N 1 0 317.433 3.030 10 30 DGEERO C=CCOc1ccccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019794536 182150129 /nfs/dbraw/zinc/15/01/29/182150129.db2.gz LFEZOLFNZIMSDU-SFHVURJKSA-N 1 0 300.446 3.312 10 30 DGEERO N#Cc1cccc(O[C@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000043023212 183330463 /nfs/dbraw/zinc/33/04/63/183330463.db2.gz MBSLCWNRUKKSAR-OAHLLOKOSA-N 1 0 317.186 3.400 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000106217170 194191585 /nfs/dbraw/zinc/19/15/85/194191585.db2.gz XRKFSOPVNDAYOX-KRWDZBQOSA-N 1 0 324.428 3.033 10 30 DGEERO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C#N)cc1C ZINC000120769483 195233956 /nfs/dbraw/zinc/23/39/56/195233956.db2.gz VDCVZSVJCIVJBC-UHFFFAOYSA-N 1 0 301.434 3.061 10 30 DGEERO CCn1cc(C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)cn1 ZINC000120769950 195234282 /nfs/dbraw/zinc/23/42/82/195234282.db2.gz GWUDNCSGAOTODA-UHFFFAOYSA-N 1 0 324.428 3.163 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000584732687 400095619 /nfs/dbraw/zinc/09/56/19/400095619.db2.gz RJVCYKFMXXQGRQ-MJVIPROJSA-N 1 0 311.223 3.086 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cncc(Br)c1 ZINC000584732691 400095897 /nfs/dbraw/zinc/09/58/97/400095897.db2.gz RJVCYKFMXXQGRQ-SUNKGSAMSA-N 1 0 311.223 3.086 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000091506476 400124894 /nfs/dbraw/zinc/12/48/94/400124894.db2.gz SKTSBFGNXVKKJT-MRXNPFEDSA-N 1 0 316.445 3.198 10 30 DGEERO C=CCCC[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514444 400125202 /nfs/dbraw/zinc/12/52/02/400125202.db2.gz JUWCQPUBONWMOT-KBPBESRZSA-N 1 0 304.394 3.221 10 30 DGEERO N#Cc1ncccc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000310258777 400133033 /nfs/dbraw/zinc/13/30/33/400133033.db2.gz PYWJMASMGWODBF-RCCFBDPRSA-N 1 0 318.424 3.276 10 30 DGEERO C=CC(C)(C)C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600740567 400142325 /nfs/dbraw/zinc/14/23/25/400142325.db2.gz WFDHXTQDXUHKER-UHFFFAOYSA-N 1 0 311.466 3.051 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(C(F)(F)F)CC1)C(C)C ZINC000586842423 400167549 /nfs/dbraw/zinc/16/75/49/400167549.db2.gz SXSRZQVAOKMGND-ZDUSSCGKSA-N 1 0 318.383 3.144 10 30 DGEERO C=CCOc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1Cl ZINC000092969269 400217431 /nfs/dbraw/zinc/21/74/31/400217431.db2.gz QZZUQLPCCGPXGI-CYBMUJFWSA-N 1 0 309.837 3.498 10 30 DGEERO C=C(C)CC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000386794085 400263961 /nfs/dbraw/zinc/26/39/61/400263961.db2.gz AORHVDKNTVRWIK-UHFFFAOYSA-N 1 0 300.196 3.219 10 30 DGEERO C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCN(CC#N)CC1 ZINC000611080866 400344459 /nfs/dbraw/zinc/34/44/59/400344459.db2.gz YILPZTZONVGXBH-OWBHPGMISA-N 1 0 303.837 3.321 10 30 DGEERO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](CO)c1ccccc1 ZINC000611393988 400392493 /nfs/dbraw/zinc/39/24/93/400392493.db2.gz WBCHNTLLMOJWLZ-QUCCMNQESA-N 1 0 306.409 3.301 10 30 DGEERO CCCCCCCCCCCCCC(=O)NCCNCC[NH3+] ZINC000111891689 400369490 /nfs/dbraw/zinc/36/94/90/400369490.db2.gz VEARCFDPCWJRGD-UHFFFAOYSA-N 1 0 313.530 3.352 10 30 DGEERO COc1cccc(-c2n[nH]cc2C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000611561325 400422321 /nfs/dbraw/zinc/42/23/21/400422321.db2.gz GDALSJRYPLADDB-UHFFFAOYSA-N 1 0 310.401 3.211 10 30 DGEERO C=CCOCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000611543964 400418682 /nfs/dbraw/zinc/41/86/82/400418682.db2.gz ZZXIKTDJJSDQOS-UHFFFAOYSA-N 1 0 302.330 3.147 10 30 DGEERO CC(=[NH2+])Nc1ccc2nc(-c3ccc4c(c3)OCO4)ncc2c1 ZINC000043194301 400458408 /nfs/dbraw/zinc/45/84/08/400458408.db2.gz FJFRQQKLNHHDLI-UHFFFAOYSA-N 1 0 306.325 3.034 10 30 DGEERO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc2ccccc2c1 ZINC000123184602 400466568 /nfs/dbraw/zinc/46/65/68/400466568.db2.gz JBRWTSUUHRZIDB-VLIAUNLRSA-N 1 0 321.424 3.299 10 30 DGEERO CC(C)OC1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000130287526 400536625 /nfs/dbraw/zinc/53/66/25/400536625.db2.gz TXDAQAQJZKSSPD-UHFFFAOYSA-N 1 0 312.417 3.032 10 30 DGEERO C=C(C)C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)OC ZINC000602734401 400557125 /nfs/dbraw/zinc/55/71/25/400557125.db2.gz NUACJNUEJJTVEX-NJAFHUGGSA-N 1 0 322.493 3.127 10 30 DGEERO C=CC[NH+](CC=C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000046345450 400561001 /nfs/dbraw/zinc/56/10/01/400561001.db2.gz VAFBYNFXDSKMHX-GFCCVEGCSA-N 1 0 316.228 3.407 10 30 DGEERO Cn1ccnc1C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000618569928 400625848 /nfs/dbraw/zinc/62/58/48/400625848.db2.gz HXEHDUHMQUULSB-JQHSSLGASA-N 1 0 308.429 3.376 10 30 DGEERO C=CCN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C/c1ccc(C)cc1 ZINC000137525059 400595677 /nfs/dbraw/zinc/59/56/77/400595677.db2.gz BHEGTZIMVMPYTL-JVVDOCDTSA-N 1 0 321.491 3.440 10 30 DGEERO C=CCC[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)C1CC1 ZINC000592394442 400644842 /nfs/dbraw/zinc/64/48/42/400644842.db2.gz OLEJRSGNCBNWIZ-INIZCTEOSA-N 1 0 323.477 3.459 10 30 DGEERO CCc1cccc(CC)c1NC(=O)C[n+]1cc2ccccc2cn1 ZINC000048544828 400658064 /nfs/dbraw/zinc/65/80/64/400658064.db2.gz VPGKMPDEPKFHCV-UHFFFAOYSA-O 1 0 320.416 3.286 10 30 DGEERO CCCN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C/c1ccccc1 ZINC000150193067 400663619 /nfs/dbraw/zinc/66/36/19/400663619.db2.gz HTBFXMHWZQJLBO-GPLLRDDGSA-N 1 0 309.480 3.356 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000151845083 400676012 /nfs/dbraw/zinc/67/60/12/400676012.db2.gz GAZWQKIGQSMTIR-SFHVURJKSA-N 1 0 315.461 3.431 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000629586553 400985137 /nfs/dbraw/zinc/98/51/37/400985137.db2.gz AVPQTQGMURRGSM-MRXNPFEDSA-N 1 0 311.853 3.409 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@@H](O)COc1ccc(SC)cc1 ZINC000629588822 400985362 /nfs/dbraw/zinc/98/53/62/400985362.db2.gz PDZVUFTUNIEKFB-CQSZACIVSA-N 1 0 309.475 3.340 10 30 DGEERO C=CCOc1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000237840335 400995128 /nfs/dbraw/zinc/99/51/28/400995128.db2.gz ZRSXLJYCGQWNRT-UHFFFAOYSA-N 1 0 302.418 3.033 10 30 DGEERO C=CCC1(C(=O)N2CCC3(C2)CC[NH+](C)CC3)CCCCC1 ZINC000614967406 400976957 /nfs/dbraw/zinc/97/69/57/400976957.db2.gz FOBFTFUKTUMWCN-UHFFFAOYSA-N 1 0 304.478 3.457 10 30 DGEERO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600179897 401211975 /nfs/dbraw/zinc/21/19/75/401211975.db2.gz XEOIWOHRCVUBNG-GOEBONIOSA-N 1 0 302.418 3.483 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n([C@H](C)COC)c2C)C1 ZINC000625702886 401186374 /nfs/dbraw/zinc/18/63/74/401186374.db2.gz JNPWPNVEOKRJFY-NVXWUHKLSA-N 1 0 318.461 3.393 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000625705238 401187382 /nfs/dbraw/zinc/18/73/82/401187382.db2.gz SWPYXHUVCSVYGI-MRXNPFEDSA-N 1 0 311.429 3.397 10 30 DGEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595011050 401231300 /nfs/dbraw/zinc/23/13/00/401231300.db2.gz GSBLVSGHRRGXMD-KBPBESRZSA-N 1 0 317.389 3.258 10 30 DGEERO N#Cc1ccc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000065201907 401259741 /nfs/dbraw/zinc/25/97/41/401259741.db2.gz OUDUGUMDFZFYEZ-SFHVURJKSA-N 1 0 306.413 3.420 10 30 DGEERO C=CCCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142493 401311525 /nfs/dbraw/zinc/31/15/25/401311525.db2.gz KARLHUBIDWKPCV-AWEZNQCLSA-N 1 0 318.417 3.073 10 30 DGEERO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000630799027 401330416 /nfs/dbraw/zinc/33/04/16/401330416.db2.gz SKLHFCICIHLLCL-DOTOQJQBSA-N 1 0 304.409 3.071 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635120353 401413203 /nfs/dbraw/zinc/41/32/03/401413203.db2.gz WZFFCJZSOCQDGN-GFCCVEGCSA-N 1 0 312.866 3.258 10 30 DGEERO C=C(C)C[NH+]1CCC(NCc2nc3cc(F)ccc3o2)CC1 ZINC000634960587 401389530 /nfs/dbraw/zinc/38/95/30/401389530.db2.gz WDEYNMXWDMWGAE-UHFFFAOYSA-N 1 0 303.381 3.097 10 30 DGEERO C=CCC[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccccc1 ZINC000634971955 401392926 /nfs/dbraw/zinc/39/29/26/401392926.db2.gz KFTSWXWJLLBHER-IRXDYDNUSA-N 1 0 307.459 3.251 10 30 DGEERO C=CCCC(C)(C)C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000631220076 401429600 /nfs/dbraw/zinc/42/96/00/401429600.db2.gz PYWZFHAOIQSRQH-UHFFFAOYSA-N 1 0 310.463 3.140 10 30 DGEERO C=CCCC(C)(C)C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000631222939 401429763 /nfs/dbraw/zinc/42/97/63/401429763.db2.gz ZLMDYYFQFXIFCF-UHFFFAOYSA-N 1 0 304.434 3.466 10 30 DGEERO C=C(C)[C@H](NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)c(F)c1 ZINC000627015826 401431817 /nfs/dbraw/zinc/43/18/17/401431817.db2.gz CNTPYRKCVXSKHH-RBOXIYTFSA-N 1 0 323.387 3.022 10 30 DGEERO C=CCC[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000627003533 401432041 /nfs/dbraw/zinc/43/20/41/401432041.db2.gz RCNUCNZKBIAECS-IRXDYDNUSA-N 1 0 313.445 3.278 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000627120662 401446770 /nfs/dbraw/zinc/44/67/70/401446770.db2.gz HVQMKBKGVQDAND-INIZCTEOSA-N 1 0 307.482 3.010 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000627121121 401446861 /nfs/dbraw/zinc/44/68/61/401446861.db2.gz PURYPRGCNOJNEL-CVEARBPZSA-N 1 0 307.482 3.010 10 30 DGEERO CC(=O)c1ccc(C#N)c(N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000631445788 401471555 /nfs/dbraw/zinc/47/15/55/401471555.db2.gz NKOHGBKDOUMCHP-UHFFFAOYSA-N 1 0 311.429 3.216 10 30 DGEERO C=CC(C)(C)CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000623415334 401511924 /nfs/dbraw/zinc/51/19/24/401511924.db2.gz HUEXGWQDCZCZKD-UHFFFAOYSA-N 1 0 303.450 3.150 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000623814457 401582629 /nfs/dbraw/zinc/58/26/29/401582629.db2.gz GDICWDSLFGUJQU-NJAFHUGGSA-N 1 0 313.445 3.039 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000623597072 401553002 /nfs/dbraw/zinc/55/30/02/401553002.db2.gz VUTQUODANHDPTL-IRXDYDNUSA-N 1 0 315.461 3.115 10 30 DGEERO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000624102330 401626196 /nfs/dbraw/zinc/62/61/96/401626196.db2.gz SWQCGFCAAGVRNA-KGLIPLIRSA-N 1 0 305.409 3.134 10 30 DGEERO C=CCOc1ccccc1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632878658 401634380 /nfs/dbraw/zinc/63/43/80/401634380.db2.gz LBQUGKOVHPNNBS-OAHLLOKOSA-N 1 0 322.408 3.029 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000632939063 401640106 /nfs/dbraw/zinc/64/01/06/401640106.db2.gz NLNCVNLCLRSCGD-UKRRQHHQSA-N 1 0 301.434 3.492 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000632939061 401640217 /nfs/dbraw/zinc/64/02/17/401640217.db2.gz NLNCVNLCLRSCGD-DZGCQCFKSA-N 1 0 301.434 3.492 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623959114 401605708 /nfs/dbraw/zinc/60/57/08/401605708.db2.gz HPGQWKAPJVIOBB-MWLCHTKSSA-N 1 0 322.758 3.211 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000624038216 401616663 /nfs/dbraw/zinc/61/66/63/401616663.db2.gz WSYHNTOUKWZQAM-CYBMUJFWSA-N 1 0 310.463 3.311 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H](C)CC(=O)NCCc1ccccc1 ZINC000624038181 401616872 /nfs/dbraw/zinc/61/68/72/401616872.db2.gz UUSKWMRBCGCEEM-MRXNPFEDSA-N 1 0 302.462 3.316 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000624038207 401616985 /nfs/dbraw/zinc/61/69/85/401616985.db2.gz WNUNBNOTTCTZMY-GFCCVEGCSA-N 1 0 313.438 3.482 10 30 DGEERO C=CC(C)(C)CCNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000624463046 401662727 /nfs/dbraw/zinc/66/27/27/401662727.db2.gz PHISPVVOYHYKHG-UHFFFAOYSA-N 1 0 321.465 3.345 10 30 DGEERO C=CC(C)(C)CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633281144 401669308 /nfs/dbraw/zinc/66/93/08/401669308.db2.gz QQLLNRHFHXHDHE-UHFFFAOYSA-N 1 0 307.482 3.249 10 30 DGEERO C=CCCCCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633338173 401673701 /nfs/dbraw/zinc/67/37/01/401673701.db2.gz PSBXCHBPPBBCAR-UHFFFAOYSA-N 1 0 307.482 3.393 10 30 DGEERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C12CCOCC2 ZINC000186277196 286395546 /nfs/dbraw/zinc/39/55/46/286395546.db2.gz BUHXUKHZFJHGDO-JCGIZDLHSA-N 1 0 314.429 3.183 10 30 DGEERO C[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(C#N)s1 ZINC000181919769 164924447 /nfs/dbraw/zinc/92/44/47/164924447.db2.gz NZAJDAMANJGUDV-BXUZGUMPSA-N 1 0 311.410 3.396 10 30 DGEERO N#Cc1ccc(OCC[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000192367148 165290856 /nfs/dbraw/zinc/29/08/56/165290856.db2.gz KFXLYZVVUCYZEJ-SFHVURJKSA-N 1 0 308.381 3.310 10 30 DGEERO CC[N@@H+]1CCC[C@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000171819262 432175167 /nfs/dbraw/zinc/17/51/67/432175167.db2.gz OOSLJAUIVMUTEI-ZDUSSCGKSA-N 1 0 316.355 3.281 10 30 DGEERO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1C#N ZINC000246971962 432185988 /nfs/dbraw/zinc/18/59/88/432185988.db2.gz VLXQXWZKDYLPPZ-MSOLQXFVSA-N 1 0 313.445 3.014 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000172075687 432195051 /nfs/dbraw/zinc/19/50/51/432195051.db2.gz OOZJAHWCLGLCRI-IBGZPJMESA-N 1 0 317.477 3.169 10 30 DGEERO C=CCC[C@H](O)C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000247383465 432226448 /nfs/dbraw/zinc/22/64/48/432226448.db2.gz LGLYGZSKFRAOEI-JENIJYKNSA-N 1 0 303.446 3.392 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 ZINC000247286054 432219023 /nfs/dbraw/zinc/21/90/23/432219023.db2.gz YWPVOUANRPSJRJ-NZSAHSFTSA-N 1 0 317.429 3.020 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000161553192 228252483 /nfs/dbraw/zinc/25/24/83/228252483.db2.gz HKYVICLRGJVISL-GOSISDBHSA-N 1 0 313.445 3.107 10 30 DGEERO N#CCCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181285400 228361011 /nfs/dbraw/zinc/36/10/11/228361011.db2.gz PXTIBJHRDWXYHG-INIZCTEOSA-N 1 0 309.417 3.345 10 30 DGEERO C[C@H]1C[C@@H](C(=O)NCc2ccn(C3CCCC3)n2)CC[N@@H+]1C ZINC000329881204 228964866 /nfs/dbraw/zinc/96/48/66/228964866.db2.gz OEZHYHXXNYPRDD-KBPBESRZSA-N 1 0 304.438 3.185 10 30 DGEERO Cc1cc(C)n([C@@H](C)C(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000330045226 228973515 /nfs/dbraw/zinc/97/35/15/228973515.db2.gz GHYFGUPINVAZQG-FHERZECASA-N 1 0 304.438 3.034 10 30 DGEERO N#Cc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000302179511 230144280 /nfs/dbraw/zinc/14/42/80/230144280.db2.gz RLYLRDARRWXNCD-NSISKUIASA-N 1 0 318.424 3.276 10 30 DGEERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1sccc1C#N)c1ccco1 ZINC000359548149 266362775 /nfs/dbraw/zinc/36/27/75/266362775.db2.gz UBUIMAZURXZNTN-YPMHNXCESA-N 1 0 317.414 3.072 10 30 DGEERO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[NH+]1CCC(C)CC1 ZINC000358594772 267162102 /nfs/dbraw/zinc/16/21/02/267162102.db2.gz UDUVMJORIXSOAO-CABCVRRESA-N 1 0 303.425 3.468 10 30 DGEERO C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358578615 267182375 /nfs/dbraw/zinc/18/23/75/267182375.db2.gz VSCKSYNPWMDOCL-HNNXBMFYSA-N 1 0 311.404 3.480 10 30 DGEERO N#Cc1ncccc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000357192917 268327512 /nfs/dbraw/zinc/32/75/12/268327512.db2.gz ULDFNIGYNBXAIA-QGZVFWFLSA-N 1 0 306.413 3.420 10 30 DGEERO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159641120 275382152 /nfs/dbraw/zinc/38/21/52/275382152.db2.gz SHKSQBYAVFPTLQ-DNVCBOLYSA-N 1 0 310.441 3.086 10 30 DGEERO CC[NH+](CC)[C@H](C)CNc1ccc(C#N)cc1Br ZINC000301896394 276118285 /nfs/dbraw/zinc/11/82/85/276118285.db2.gz ZIQBRUINCWWLIU-LLVKDONJSA-N 1 0 310.239 3.463 10 30 DGEERO CCC[NH+]1CCC(CNc2ncc(Cl)c(C)c2C#N)CC1 ZINC000612075458 430570234 /nfs/dbraw/zinc/57/02/34/430570234.db2.gz SRMXMEOPIUEPBJ-UHFFFAOYSA-N 1 0 306.841 3.449 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000073716814 431376887 /nfs/dbraw/zinc/37/68/87/431376887.db2.gz OKETVKVKPWZPJE-CHWSQXEVSA-N 1 0 310.388 3.429 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000076737669 431563160 /nfs/dbraw/zinc/56/31/60/431563160.db2.gz HKZAAZCXAQPQLB-HNNXBMFYSA-N 1 0 304.434 3.113 10 30 DGEERO C=CCCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076737162 431561852 /nfs/dbraw/zinc/56/18/52/431561852.db2.gz JMUGKONLMGOXIT-UHFFFAOYSA-N 1 0 305.809 3.438 10 30 DGEERO C=CCCCN(C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000076736024 431562778 /nfs/dbraw/zinc/56/27/78/431562778.db2.gz RWVBPTBDJDZRLD-ZDUSSCGKSA-N 1 0 312.421 3.156 10 30 DGEERO C=CCOc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000121157831 431746756 /nfs/dbraw/zinc/74/67/56/431746756.db2.gz BQYNZMOVHRWYDF-YOEHRIQHSA-N 1 0 317.433 3.102 10 30 DGEERO CCOCc1ccccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123224192 431859268 /nfs/dbraw/zinc/85/92/68/431859268.db2.gz BDPMFKORSUNLTM-UHFFFAOYSA-N 1 0 320.396 3.032 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CCc3ccc(Cl)s3)n2c1 ZINC000123340236 431862541 /nfs/dbraw/zinc/86/25/41/431862541.db2.gz KEBLMGYYRWJKSA-UHFFFAOYSA-N 1 0 316.817 3.253 10 30 DGEERO C=CCOc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092046383 431907982 /nfs/dbraw/zinc/90/79/82/431907982.db2.gz NHVLVDSINUQIEE-GOSISDBHSA-N 1 0 300.446 3.312 10 30 DGEERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000151863067 432283360 /nfs/dbraw/zinc/28/33/60/432283360.db2.gz IBOKRHXXHADKSC-MAUKXSAKSA-N 1 0 321.424 3.496 10 30 DGEERO C[C@H]1CN(Cc2cc(C#N)ccc2Br)CCS1 ZINC000191783184 432300505 /nfs/dbraw/zinc/30/05/05/432300505.db2.gz WYZVBQNSPUEIRY-JTQLQIEISA-N 1 0 311.248 3.258 10 30 DGEERO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000248570398 432301452 /nfs/dbraw/zinc/30/14/52/432301452.db2.gz QNROQMQWWBVMEU-GUYCJALGSA-N 1 0 305.853 3.374 10 30 DGEERO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191974559 432320104 /nfs/dbraw/zinc/32/01/04/432320104.db2.gz GXBPEGMMAPPGMI-IEBWSBKVSA-N 1 0 312.457 3.055 10 30 DGEERO O=C(C1CC[NH+](CC#Cc2ccccc2)CC1)N1CCCCCC1 ZINC000191896256 432311230 /nfs/dbraw/zinc/31/12/30/432311230.db2.gz PRBWAMNZECEWCD-UHFFFAOYSA-N 1 0 324.468 3.153 10 30 DGEERO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC#Cc1ccccc1 ZINC000191919167 432314192 /nfs/dbraw/zinc/31/41/92/432314192.db2.gz MJPIJHLMWQDJQG-QGZVFWFLSA-N 1 0 316.408 3.312 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000174560855 432356747 /nfs/dbraw/zinc/35/67/47/432356747.db2.gz SEVNKEPTVCCWOQ-UHFFFAOYSA-N 1 0 306.287 3.144 10 30 DGEERO C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Sc1ccccc1 ZINC000174608041 432359627 /nfs/dbraw/zinc/35/96/27/432359627.db2.gz SXWUYELYUZGOMS-AWEZNQCLSA-N 1 0 322.437 3.476 10 30 DGEERO CCO[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000174654216 432361025 /nfs/dbraw/zinc/36/10/25/432361025.db2.gz IQRXXKODFZDRNP-DLBZAZTESA-N 1 0 324.428 3.033 10 30 DGEERO CCO[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000174654229 432361399 /nfs/dbraw/zinc/36/13/99/432361399.db2.gz IQRXXKODFZDRNP-IRXDYDNUSA-N 1 0 324.428 3.033 10 30 DGEERO CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000255871539 432413861 /nfs/dbraw/zinc/41/38/61/432413861.db2.gz IUUKLCJNDNUUDA-UONOGXRCSA-N 1 0 321.852 3.341 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000185147145 432470979 /nfs/dbraw/zinc/47/09/79/432470979.db2.gz AYMGDGMUIOYNOC-OAHLLOKOSA-N 1 0 304.434 3.305 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000186149146 432561648 /nfs/dbraw/zinc/56/16/48/432561648.db2.gz UCOXUOOMYUVHHC-AWEZNQCLSA-N 1 0 304.438 3.081 10 30 DGEERO C=CCCC[N@@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000156146201 432589546 /nfs/dbraw/zinc/58/95/46/432589546.db2.gz QJHKOFUHGFKOFD-UHFFFAOYSA-N 1 0 301.390 3.452 10 30 DGEERO C=CCNC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000156480766 432598576 /nfs/dbraw/zinc/59/85/76/432598576.db2.gz LQTRQHGQPNXJCT-DOTOQJQBSA-N 1 0 301.434 3.039 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000273459756 432600859 /nfs/dbraw/zinc/60/08/59/432600859.db2.gz QGCAJLNNXOUVOS-YPMHNXCESA-N 1 0 303.324 3.215 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000186707697 432624002 /nfs/dbraw/zinc/62/40/02/432624002.db2.gz GLVXDFAHIINSFH-FZMZJTMJSA-N 1 0 303.431 3.101 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000186708602 432624262 /nfs/dbraw/zinc/62/42/62/432624262.db2.gz GLCFWWPUELWUFD-RNCFNFMXSA-N 1 0 314.198 3.102 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000186701742 432624448 /nfs/dbraw/zinc/62/44/48/432624448.db2.gz ZJEDGQGGFCANPN-ONGXEEELSA-N 1 0 302.187 3.176 10 30 DGEERO CC(C)[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1cccnc1 ZINC000177595599 432640253 /nfs/dbraw/zinc/64/02/53/432640253.db2.gz FKSLGDQUTTYQMW-GOSISDBHSA-N 1 0 319.412 3.130 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000187545049 432669364 /nfs/dbraw/zinc/66/93/64/432669364.db2.gz YUAFKSRXAZVGTR-PWSUYJOCSA-N 1 0 314.223 3.051 10 30 DGEERO C=C(C)CC[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000274766861 432706374 /nfs/dbraw/zinc/70/63/74/432706374.db2.gz GKMVPOMIPUJYKK-HNNXBMFYSA-N 1 0 323.506 3.324 10 30 DGEERO C=C(C)[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187757291 432683689 /nfs/dbraw/zinc/68/36/89/432683689.db2.gz QYZOCEAMLGNXAX-CJNGLKHVSA-N 1 0 313.388 3.348 10 30 DGEERO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000178626871 432759291 /nfs/dbraw/zinc/75/92/91/432759291.db2.gz CNEWVFSTSLBNQI-MRXNPFEDSA-N 1 0 314.433 3.109 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000188457613 432727216 /nfs/dbraw/zinc/72/72/16/432727216.db2.gz CCNLCNPVPITVSG-KOLCDFICSA-N 1 0 302.187 3.176 10 30 DGEERO N#CCCCOc1cccc(C[NH2+]CCCc2ccccn2)c1 ZINC000178935487 432789533 /nfs/dbraw/zinc/78/95/33/432789533.db2.gz HHROMUKWKXMRBE-UHFFFAOYSA-N 1 0 309.413 3.487 10 30 DGEERO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000179013576 432796406 /nfs/dbraw/zinc/79/64/06/432796406.db2.gz PJOFTVDUSMKQJX-MSOLQXFVSA-N 1 0 320.396 3.125 10 30 DGEERO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000245788203 432863224 /nfs/dbraw/zinc/86/32/24/432863224.db2.gz VPUVDOJERYLVPM-IBGZPJMESA-N 1 0 323.444 3.487 10 30 DGEERO CN1CC[C@H]([NH2+]Cc2ccc(C#N)o2)[C@H]1c1ccc(Cl)cc1 ZINC000245903283 432869171 /nfs/dbraw/zinc/86/91/71/432869171.db2.gz QEQMIFLLHIKCDQ-DLBZAZTESA-N 1 0 315.804 3.340 10 30 DGEERO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279124690 432937436 /nfs/dbraw/zinc/93/74/36/432937436.db2.gz DEIQILBUYRQSCO-GJZGRUSLSA-N 1 0 304.409 3.071 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1F ZINC000330206549 432897241 /nfs/dbraw/zinc/89/72/41/432897241.db2.gz DJXYCNDIVFEOAJ-KNXALSJPSA-N 1 0 306.381 3.268 10 30 DGEERO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000330258839 432901034 /nfs/dbraw/zinc/90/10/34/432901034.db2.gz MUKWMIAOWZYDEV-LXZKKBNFSA-N 1 0 302.418 3.437 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000330269146 432901051 /nfs/dbraw/zinc/90/10/51/432901051.db2.gz RSLNMWACECQGSQ-RJIBLYRGSA-N 1 0 310.344 3.098 10 30 DGEERO C=CC[C@H](CC)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000374278540 433184624 /nfs/dbraw/zinc/18/46/24/433184624.db2.gz QWSHFULIMXBNSK-INIZCTEOSA-N 1 0 301.434 3.077 10 30 DGEERO C=CCCCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000448155642 433369221 /nfs/dbraw/zinc/36/92/21/433369221.db2.gz MFJVOPYPDJECNT-UHFFFAOYSA-N 1 0 307.482 3.295 10 30 DGEERO C=CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000447968926 433337304 /nfs/dbraw/zinc/33/73/04/433337304.db2.gz SVZLNRJJSPLMBO-KRWDZBQOSA-N 1 0 303.450 3.335 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(OC(F)F)c1 ZINC000341983064 433394175 /nfs/dbraw/zinc/39/41/75/433394175.db2.gz DWMLMOXQGOYBKA-QGZVFWFLSA-N 1 0 322.355 3.162 10 30 DGEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1C(F)(F)F ZINC000301225178 433459666 /nfs/dbraw/zinc/45/96/66/433459666.db2.gz FTIOZKIMESHNBL-CQSZACIVSA-N 1 0 309.335 3.252 10 30 DGEERO C#CCC[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000362458352 433726546 /nfs/dbraw/zinc/72/65/46/433726546.db2.gz ZEDAFXTVXUAYRJ-INIZCTEOSA-N 1 0 302.805 3.111 10 30 DGEERO C=C(C)CC[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000352016757 433864680 /nfs/dbraw/zinc/86/46/80/433864680.db2.gz ZODLLKQGOLCTIV-CYBMUJFWSA-N 1 0 306.372 3.075 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000416333431 434103506 /nfs/dbraw/zinc/10/35/06/434103506.db2.gz LMYXMKVPKPXFLV-CQSZACIVSA-N 1 0 320.433 3.176 10 30 DGEERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328675976 434296153 /nfs/dbraw/zinc/29/61/53/434296153.db2.gz RGRBRJGKVSJPPZ-CABCVRRESA-N 1 0 309.454 3.353 10 30 DGEERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328652908 434296763 /nfs/dbraw/zinc/29/67/63/434296763.db2.gz KESZDKBJKOIIIM-ILXRZTDVSA-N 1 0 309.454 3.353 10 30 DGEERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000393889687 434398145 /nfs/dbraw/zinc/39/81/45/434398145.db2.gz YYGZSUVUCPJKIZ-AWEZNQCLSA-N 1 0 324.384 3.399 10 30 DGEERO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(C#N)cc1F ZINC000358577802 434398456 /nfs/dbraw/zinc/39/84/56/434398456.db2.gz VGYDPMMXWSZCFI-BLLLJJGKSA-N 1 0 301.365 3.244 10 30 DGEERO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(C#N)cc1F ZINC000358577809 434399435 /nfs/dbraw/zinc/39/94/35/434399435.db2.gz VGYDPMMXWSZCFI-WBMJQRKESA-N 1 0 301.365 3.244 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000358566058 434399769 /nfs/dbraw/zinc/39/97/69/434399769.db2.gz ICOGHEPHQVVFAM-NWDGAFQWSA-N 1 0 306.381 3.468 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000287954767 434487142 /nfs/dbraw/zinc/48/71/42/434487142.db2.gz ICXRNPLCESNFNS-WBVHZDCISA-N 1 0 303.450 3.285 10 30 DGEERO Cc1cc(C#N)nc(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000398144188 434457644 /nfs/dbraw/zinc/45/76/44/434457644.db2.gz NFVGETVNCDXCRK-SFHVURJKSA-N 1 0 323.444 3.225 10 30 DGEERO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000367035926 434534885 /nfs/dbraw/zinc/53/48/85/434534885.db2.gz LKKLMRHRLNNGNW-BHUNQDJPSA-N 1 0 300.450 3.366 10 30 DGEERO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000407993911 434535695 /nfs/dbraw/zinc/53/56/95/434535695.db2.gz WDJRJMQTYYJDEE-FSZRXZPDSA-N 1 0 304.434 3.122 10 30 DGEERO COCCC1(C)C[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000459637466 434642424 /nfs/dbraw/zinc/64/24/24/434642424.db2.gz XFRFDGFOMQZTGS-UHFFFAOYSA-N 1 0 302.418 3.228 10 30 DGEERO C=CCOCC[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000370356747 434611936 /nfs/dbraw/zinc/61/19/36/434611936.db2.gz DWAUBWNQYOKGOZ-UHFFFAOYSA-N 1 0 308.853 3.097 10 30 DGEERO C=CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1cccc(C)c1 ZINC000460451401 434758296 /nfs/dbraw/zinc/75/82/96/434758296.db2.gz POHJDSVOQPDYDO-CQSZACIVSA-N 1 0 316.474 3.482 10 30 DGEERO C=CCC1(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCOCC1 ZINC000424708721 434784885 /nfs/dbraw/zinc/78/48/85/434784885.db2.gz RWUKEJCUSCQYAF-UHFFFAOYSA-N 1 0 316.445 3.368 10 30 DGEERO C=CCN1CC[C@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773085 435029215 /nfs/dbraw/zinc/02/92/15/435029215.db2.gz GTGBLLFWTUCCIU-IRXDYDNUSA-N 1 0 316.420 3.181 10 30 DGEERO C=CCc1cc(C[NH2+]Cc2ccnc(C)c2)cc(OC)c1OC ZINC000527654921 435012823 /nfs/dbraw/zinc/01/28/23/435012823.db2.gz WZFRQOYBMHTAKI-UHFFFAOYSA-N 1 0 312.413 3.426 10 30 DGEERO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529351570 435034942 /nfs/dbraw/zinc/03/49/42/435034942.db2.gz IFLRQRFTXOXVJR-QGZVFWFLSA-N 1 0 313.445 3.059 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1 ZINC000466915692 435099045 /nfs/dbraw/zinc/09/90/45/435099045.db2.gz BKFNZKKVXZQQAS-LJQANCHMSA-N 1 0 311.425 3.253 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CO)Cc2ccccc2C)cc1 ZINC000466915691 435099415 /nfs/dbraw/zinc/09/94/15/435099415.db2.gz BKFNZKKVXZQQAS-IBGZPJMESA-N 1 0 311.425 3.253 10 30 DGEERO N#CCCn1cc(C[NH2+]CCCC2CC2)c(-c2ccncc2)n1 ZINC000562427752 435259196 /nfs/dbraw/zinc/25/91/96/435259196.db2.gz XZSFRIPHGCSHNR-UHFFFAOYSA-N 1 0 309.417 3.139 10 30 DGEERO C=CCCCCCNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000565225429 435277172 /nfs/dbraw/zinc/27/71/72/435277172.db2.gz PWSLABBYJRBCBS-UHFFFAOYSA-N 1 0 303.406 3.037 10 30 DGEERO C=CCCCCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000565221937 435277302 /nfs/dbraw/zinc/27/73/02/435277302.db2.gz NMCYXJHMRRDGIQ-IAGOWNOFSA-N 1 0 307.482 3.297 10 30 DGEERO C=CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000565205703 435277902 /nfs/dbraw/zinc/27/79/02/435277902.db2.gz CUDLYIAVZHOJIE-SFHVURJKSA-N 1 0 315.461 3.156 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000537186137 435428947 /nfs/dbraw/zinc/42/89/47/435428947.db2.gz IZFHEIHEYQHDHY-CGTJXYLNSA-N 1 0 315.461 3.476 10 30 DGEERO CN(CCC[NH+](C)C)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000537214321 435430498 /nfs/dbraw/zinc/43/04/98/435430498.db2.gz XKZJUNZJVAQMHH-UHFFFAOYSA-N 1 0 320.436 3.110 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000539850833 435575371 /nfs/dbraw/zinc/57/53/71/435575371.db2.gz SAGYEKKYONZTPG-SFHVURJKSA-N 1 0 301.430 3.500 10 30 DGEERO CC#CCN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000484529476 435545524 /nfs/dbraw/zinc/54/55/24/435545524.db2.gz DQEWDKIOBOTVHU-QGZVFWFLSA-N 1 0 306.400 3.493 10 30 DGEERO C=CC[C@@H](CO)C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000540395895 435598958 /nfs/dbraw/zinc/59/89/58/435598958.db2.gz CBDQKBZLLBKRRC-HZPDHXFCSA-N 1 0 318.461 3.301 10 30 DGEERO C=CCOc1cccc(NC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000541855623 435644904 /nfs/dbraw/zinc/64/49/04/435644904.db2.gz KIRZDVRSENSBBW-UHFFFAOYSA-N 1 0 311.385 3.111 10 30 DGEERO C=CCCCCCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000572972039 435887285 /nfs/dbraw/zinc/88/72/85/435887285.db2.gz NCLJZSWNKMHSGA-CQSZACIVSA-N 1 0 309.479 3.396 10 30 DGEERO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccc(C#N)cc1 ZINC000173981273 312758955 /nfs/dbraw/zinc/75/89/55/312758955.db2.gz QGHBEQRHIWXJCM-OXQOHEQNSA-N 1 0 307.441 3.382 10 30 DGEERO Cc1cccc(O[C@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000174571460 312764101 /nfs/dbraw/zinc/76/41/01/312764101.db2.gz UAOZQKYHHTWGLN-OAHLLOKOSA-N 1 0 320.396 3.072 10 30 DGEERO C/C(=C\c1ccccc1)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546260455 314298629 /nfs/dbraw/zinc/29/86/29/314298629.db2.gz JHNHHTDHPFYFMB-SAPNQHFASA-N 1 0 318.424 3.179 10 30 DGEERO COc1ccc([C@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1F ZINC000182031087 323280678 /nfs/dbraw/zinc/28/06/78/323280678.db2.gz VLPLRHDEMHQYMT-ZDUSSCGKSA-N 1 0 314.360 3.436 10 30 DGEERO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000295207135 335131054 /nfs/dbraw/zinc/13/10/54/335131054.db2.gz LPTIJGSTVFTCCE-OAHLLOKOSA-N 1 0 320.458 3.060 10 30 DGEERO C=CCOc1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000565363836 333398759 /nfs/dbraw/zinc/39/87/59/333398759.db2.gz VJOPNNIUGMPCGB-MOPGFXCFSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000076979461 334923713 /nfs/dbraw/zinc/92/37/13/334923713.db2.gz JDQPFAUGJLWXKT-INIZCTEOSA-N 1 0 307.413 3.036 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000171695809 337088370 /nfs/dbraw/zinc/08/83/70/337088370.db2.gz HPBFQZWCSQFFMU-SFHVURJKSA-N 1 0 313.445 3.014 10 30 DGEERO C#CCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000270921176 337643162 /nfs/dbraw/zinc/64/31/62/337643162.db2.gz VGYXLABWQJJGKV-UHFFFAOYSA-N 1 0 311.256 3.177 10 30 DGEERO C=CC[C@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000080203258 337823925 /nfs/dbraw/zinc/82/39/25/337823925.db2.gz CGENNWXHDHLSKH-VIFPVBQESA-N 1 0 300.196 3.218 10 30 DGEERO C=CCCCCC[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459511079 339033307 /nfs/dbraw/zinc/03/33/07/339033307.db2.gz XSZHQSYKERCWGL-AWEZNQCLSA-N 1 0 307.463 3.036 10 30 DGEERO C=CCSCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400707321 340151491 /nfs/dbraw/zinc/15/14/91/340151491.db2.gz LHLLAFVAYCLDRD-UONOGXRCSA-N 1 0 314.495 3.141 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000542323639 341005246 /nfs/dbraw/zinc/00/52/46/341005246.db2.gz WDVZMYQQSNZPLV-MJGOQNOKSA-N 1 0 312.457 3.373 10 30 DGEERO C=CCC[C@@H](C)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000544599464 341088010 /nfs/dbraw/zinc/08/80/10/341088010.db2.gz FVBOGIMMVMYXBC-CJNGLKHVSA-N 1 0 314.408 3.343 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000544609301 341088631 /nfs/dbraw/zinc/08/86/31/341088631.db2.gz KKSDGVWKULAIAH-ZWKOTPCHSA-N 1 0 303.446 3.480 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546016460 341151195 /nfs/dbraw/zinc/15/11/95/341151195.db2.gz ZRURBQQMCXEFGO-UHFFFAOYSA-N 1 0 306.372 3.218 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000076943995 341216095 /nfs/dbraw/zinc/21/60/95/341216095.db2.gz GEYDRGDOXJVZRP-INIZCTEOSA-N 1 0 315.461 3.041 10 30 DGEERO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134823719 341224744 /nfs/dbraw/zinc/22/47/44/341224744.db2.gz POJAHZUBKIYHHM-IAGOWNOFSA-N 1 0 305.393 3.190 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)cc1OC ZINC000249153355 341394791 /nfs/dbraw/zinc/39/47/91/341394791.db2.gz HSWKJQUDTAHBDS-RDTXWAMCSA-N 1 0 305.418 3.117 10 30 DGEERO C=CCOc1ccc(C[NH+]2CCC(CCC(=O)OC)CC2)cc1 ZINC000093341394 341468388 /nfs/dbraw/zinc/46/83/88/341468388.db2.gz AKXIDVANBHMAAV-UHFFFAOYSA-N 1 0 317.429 3.417 10 30 DGEERO CCc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1F ZINC000158992402 341667115 /nfs/dbraw/zinc/66/71/15/341667115.db2.gz ZYBKQVGFZLBJRJ-UHFFFAOYSA-N 1 0 320.412 3.087 10 30 DGEERO C=CCC[C@@H](O)C[N@@H+](CCCOC)Cc1ccc(F)cc1F ZINC000036099720 518716736 /nfs/dbraw/zinc/71/67/36/518716736.db2.gz UACOBKLYZITDAB-MRXNPFEDSA-N 1 0 313.388 3.130 10 30 DGEERO C=C(CC)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494291004 534377922 /nfs/dbraw/zinc/37/79/22/534377922.db2.gz RPQXICASVYKZJY-UHFFFAOYSA-N 1 0 304.253 3.271 10 30 DGEERO C=CC[N@@H+](CCc1ccccc1)Cc1cc(-c2cnn(C)c2)no1 ZINC000184989531 526313502 /nfs/dbraw/zinc/31/35/02/526313502.db2.gz FBYJUUAFWZLAKX-UHFFFAOYSA-N 1 0 322.412 3.306 10 30 DGEERO C=C(C)C[N@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000441218888 526607201 /nfs/dbraw/zinc/60/72/01/526607201.db2.gz UORFKOLKHUPYKI-VQIMIIECSA-N 1 0 301.478 3.498 10 30 DGEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313570 526636013 /nfs/dbraw/zinc/63/60/13/526636013.db2.gz OTAHLNADZMGFGD-GJZGRUSLSA-N 1 0 309.413 3.090 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000185094360 526711032 /nfs/dbraw/zinc/71/10/32/526711032.db2.gz JUTKQNGRIVIZQF-INIZCTEOSA-N 1 0 300.446 3.153 10 30 DGEERO C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000359101134 526720800 /nfs/dbraw/zinc/72/08/00/526720800.db2.gz JQEZTKSUVQPKJR-HOTGVXAUSA-N 1 0 319.497 3.144 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000353669484 526871305 /nfs/dbraw/zinc/87/13/05/526871305.db2.gz COGYFFHAICOPGC-FQEVSTJZSA-N 1 0 309.409 3.343 10 30 DGEERO C=CCOc1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000348653737 526873319 /nfs/dbraw/zinc/87/33/19/526873319.db2.gz WVNAQUGBKDTLCU-AEFFLSMTSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000352951426 526888001 /nfs/dbraw/zinc/88/80/01/526888001.db2.gz MVKQMAXUYOHMKU-UHFFFAOYSA-N 1 0 322.412 3.201 10 30 DGEERO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246283050 526916449 /nfs/dbraw/zinc/91/64/49/526916449.db2.gz BQYNZMOVHRWYDF-RHSMWYFYSA-N 1 0 317.433 3.102 10 30 DGEERO C=CCOc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000353504899 526936762 /nfs/dbraw/zinc/93/67/62/526936762.db2.gz VERUJKPNWRBOKL-KRWDZBQOSA-N 1 0 316.445 3.132 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000339503422 526949174 /nfs/dbraw/zinc/94/91/74/526949174.db2.gz BCZNQTBGVNTDHQ-UHFFFAOYSA-N 1 0 309.413 3.251 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000349750902 527103421 /nfs/dbraw/zinc/10/34/21/527103421.db2.gz XSVSONRFXOPWKC-KOLCDFICSA-N 1 0 302.187 3.176 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000346970710 527191446 /nfs/dbraw/zinc/19/14/46/527191446.db2.gz YEKWECGUEWMEQT-UHFFFAOYSA-N 1 0 300.446 3.384 10 30 DGEERO C=CCCC[N@@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000346957147 527191636 /nfs/dbraw/zinc/19/16/36/527191636.db2.gz FRWJGNINLZYBFA-SFHVURJKSA-N 1 0 300.446 3.468 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000184271351 527208850 /nfs/dbraw/zinc/20/88/50/527208850.db2.gz YKEYJRKOVTYVDS-CYBMUJFWSA-N 1 0 313.825 3.164 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccc(Br)cc1Cl ZINC000184284777 527208936 /nfs/dbraw/zinc/20/89/36/527208936.db2.gz LMYNPOSPDSGXJF-LLVKDONJSA-N 1 0 304.615 3.129 10 30 DGEERO C=CCc1cc(C[N@H+](C)Cc2cnccc2C)cc(OC)c1O ZINC000355582065 527235082 /nfs/dbraw/zinc/23/50/82/527235082.db2.gz JQXREUZWIWRMMS-UHFFFAOYSA-N 1 0 312.413 3.465 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415581648 527259419 /nfs/dbraw/zinc/25/94/19/527259419.db2.gz NUSLKNOSASKFOB-INIZCTEOSA-N 1 0 301.434 3.397 10 30 DGEERO C=CCC[N@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000338569806 527325578 /nfs/dbraw/zinc/32/55/78/527325578.db2.gz WTIXQVHMJLLNOJ-APWZRJJASA-N 1 0 301.478 3.498 10 30 DGEERO C=CCCOCCCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000342837104 527330444 /nfs/dbraw/zinc/33/04/44/527330444.db2.gz WEODLIWHZINXCO-SFHVURJKSA-N 1 0 322.493 3.226 10 30 DGEERO C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000351078904 527355996 /nfs/dbraw/zinc/35/59/96/527355996.db2.gz ZKRAFKCNQIGFTO-OWCLPIDISA-N 1 0 319.497 3.144 10 30 DGEERO C=CCCOCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358964227 527370107 /nfs/dbraw/zinc/37/01/07/527370107.db2.gz KFRZXTUQMJBYMK-SFHVURJKSA-N 1 0 311.429 3.432 10 30 DGEERO C=CCC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000131047852 527477445 /nfs/dbraw/zinc/47/74/45/527477445.db2.gz GKWZVSJMSZEZTK-IRXDYDNUSA-N 1 0 301.434 3.039 10 30 DGEERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174838052 528962479 /nfs/dbraw/zinc/96/24/79/528962479.db2.gz FNSYNKGLNJPBJJ-HNNXBMFYSA-N 1 0 307.482 3.189 10 30 DGEERO CC[C@](C)(C#N)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000354831707 529349801 /nfs/dbraw/zinc/34/98/01/529349801.db2.gz ZOGIITSUYNKTMP-MOPGFXCFSA-N 1 0 313.445 3.097 10 30 DGEERO COc1cccc2c1CC[N@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC000489565776 536942549 /nfs/dbraw/zinc/94/25/49/536942549.db2.gz GEURYAAPMSKOIG-UHFFFAOYSA-N 1 0 306.409 3.476 10 30 DGEERO C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000093863989 545860306 /nfs/dbraw/zinc/86/03/06/545860306.db2.gz GIRQUNGFZYVGFR-QGZVFWFLSA-N 1 0 311.429 3.494 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000180334214 546144831 /nfs/dbraw/zinc/14/48/31/546144831.db2.gz RXFXIIRBMHBAPH-NVXWUHKLSA-N 1 0 303.450 3.333 10 30 DGEERO C#Cc1cccc(NC(=S)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000730731944 574534994 /nfs/dbraw/zinc/53/49/94/574534994.db2.gz SMUMKUFUUZNFMV-GJZGRUSLSA-N 1 0 315.486 3.217 10 30 DGEERO CC(C)[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309701 574697050 /nfs/dbraw/zinc/69/70/50/574697050.db2.gz RUBKJWGRMNGQAN-MRXNPFEDSA-N 1 0 321.852 3.205 10 30 DGEERO C=C(Cl)CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000736399221 574747698 /nfs/dbraw/zinc/74/76/98/574747698.db2.gz VZWLRFNYZYHPTL-MRXNPFEDSA-N 1 0 321.852 3.093 10 30 DGEERO COc1ccc(C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)cc1C#N ZINC000742372142 574993371 /nfs/dbraw/zinc/99/33/71/574993371.db2.gz SMMHCFRFWQLLBJ-MSOLQXFVSA-N 1 0 316.445 3.496 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)c1cccc(OC)c1 ZINC000121303737 619045044 /nfs/dbraw/zinc/04/50/44/619045044.db2.gz HCOADECFKRULHH-HZPDHXFCSA-N 1 0 317.429 3.076 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)cc1 ZINC000152992268 620530752 /nfs/dbraw/zinc/53/07/52/620530752.db2.gz UTZQRVSTMUXLHV-QGZVFWFLSA-N 1 0 303.427 3.310 10 30 DGEERO C#CCCOc1ccc(C[NH2+]CCN2CCCC[C@H]2C)cc1 ZINC000113322175 620904419 /nfs/dbraw/zinc/90/44/19/620904419.db2.gz XPPTWTPICBFXJK-QGZVFWFLSA-N 1 0 300.446 3.053 10 30 DGEERO C#CCOc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000113320976 620904619 /nfs/dbraw/zinc/90/46/19/620904619.db2.gz BYAUVZDICYRXKI-IBGZPJMESA-N 1 0 320.436 3.315 10 30 DGEERO CCOc1ccc(O)c(/C=N/C[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000129622342 625707359 /nfs/dbraw/zinc/70/73/59/625707359.db2.gz ITICGHFVEGKRBL-YDDPGSGASA-N 1 0 304.434 3.330 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCCC(C)(C)C1 ZINC000131165522 625958970 /nfs/dbraw/zinc/95/89/70/625958970.db2.gz RPDRSLOKGHXVDH-UHFFFAOYSA-N 1 0 309.417 3.205 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc2ncccc2c1 ZINC000134029220 626851246 /nfs/dbraw/zinc/85/12/46/626851246.db2.gz NZIGXGKZQZOLQG-HNNXBMFYSA-N 1 0 310.397 3.125 10 30 DGEERO C[C@H]([NH2+]CC(C)(C)C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000221270939 627217306 /nfs/dbraw/zinc/21/73/06/627217306.db2.gz CWXLPIHVHSGGCC-KBPBESRZSA-N 1 0 309.454 3.161 10 30 DGEERO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCCc1nc(C(C)C)no1 ZINC000104179002 627412417 /nfs/dbraw/zinc/41/24/17/627412417.db2.gz DRBQQGWPUGEZBO-CQSZACIVSA-N 1 0 323.485 3.245 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC000713233837 661190470 /nfs/dbraw/zinc/19/04/70/661190470.db2.gz PEDJGNPBFXVEBK-FIXISWKDSA-N 1 0 310.850 3.044 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2nnc(C(C)(C)C)s2)c1 ZINC000262361698 655834454 /nfs/dbraw/zinc/83/44/54/655834454.db2.gz GWFKDKRYHBVMDE-UHFFFAOYSA-N 1 0 303.435 3.071 10 30 DGEERO C#C[C@@H](CC)[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000229899300 655961921 /nfs/dbraw/zinc/96/19/21/655961921.db2.gz TZKSLNOUEIRJPO-INIZCTEOSA-N 1 0 314.429 3.486 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H](C)CC2(C)OCCO2)cc1 ZINC000715924009 661215863 /nfs/dbraw/zinc/21/58/63/661215863.db2.gz ZEAMIEVQKIEXAH-OAHLLOKOSA-N 1 0 305.418 3.130 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000715919304 661215994 /nfs/dbraw/zinc/21/59/94/661215994.db2.gz IOBUTGRUEOTFDQ-HNNXBMFYSA-N 1 0 305.418 3.130 10 30 DGEERO N#CCOc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000716167163 661219428 /nfs/dbraw/zinc/21/94/28/661219428.db2.gz YJEHWZZOKMNPFI-UHFFFAOYSA-N 1 0 322.408 3.426 10 30 DGEERO CC[NH+](CC)CCSc1ncc(Br)cc1C#N ZINC000310063622 656143431 /nfs/dbraw/zinc/14/34/31/656143431.db2.gz AKQFYIRFNXDIFG-UHFFFAOYSA-N 1 0 314.252 3.150 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1cc(Cl)ccc1Br ZINC000716932242 661234084 /nfs/dbraw/zinc/23/40/84/661234084.db2.gz CBZBDSZKAASBNM-LBPRGKRZSA-N 1 0 316.626 3.230 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000716934279 661234109 /nfs/dbraw/zinc/23/41/09/661234109.db2.gz JMBMKTIYMISIIU-QMMMGPOBSA-N 1 0 322.655 3.292 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000716933547 661234136 /nfs/dbraw/zinc/23/41/36/661234136.db2.gz ITGVKDVCUFCAMD-LJQANCHMSA-N 1 0 309.409 3.394 10 30 DGEERO CC(C)c1cccc(NC(=[NH2+])NCCC(=O)OC(C)(C)C)c1 ZINC000178569639 656927465 /nfs/dbraw/zinc/92/74/65/656927465.db2.gz CHYCMWNIBFTLOI-UHFFFAOYSA-N 1 0 305.422 3.268 10 30 DGEERO CC[C@]1(C)CCN(C(NCc2ccn(C3CCCC3)n2)=[NH+]C)C1 ZINC000261748744 657076122 /nfs/dbraw/zinc/07/61/22/657076122.db2.gz LODKLKRAEYMOOR-GOSISDBHSA-N 1 0 317.481 3.196 10 30 DGEERO C[NH+]=C(NCc1cnc(C)s1)N[C@H](C)c1ccc(C)c(F)c1 ZINC000261944362 657228906 /nfs/dbraw/zinc/22/89/06/657228906.db2.gz FIKZJIKOLDNDBG-LLVKDONJSA-N 1 0 320.437 3.325 10 30 DGEERO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262409243 657552180 /nfs/dbraw/zinc/55/21/80/657552180.db2.gz OZYUCMOSELEZNY-NWDGAFQWSA-N 1 0 305.388 3.463 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccc3c(c2)CCCN3C)c1 ZINC000303969749 657581699 /nfs/dbraw/zinc/58/16/99/657581699.db2.gz CBMZYIBYYDWELK-UHFFFAOYSA-N 1 0 308.429 3.304 10 30 DGEERO COc1ccc(NC(=[NH2+])NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000303981215 657584003 /nfs/dbraw/zinc/58/40/03/657584003.db2.gz OWUMYANKKHUUDR-UHFFFAOYSA-N 1 0 322.412 3.454 10 30 DGEERO CO[C@H](CNC(=[NH2+])NC1CCCCC1)c1cccc(Cl)c1 ZINC000304671672 657642980 /nfs/dbraw/zinc/64/29/80/657642980.db2.gz FBPQMMUFVDSHEY-OAHLLOKOSA-N 1 0 309.841 3.265 10 30 DGEERO CC[C@H](CNC(=[NH2+])NC1CCCCC1)Oc1ccccc1F ZINC000304754501 657647433 /nfs/dbraw/zinc/64/74/33/657647433.db2.gz YWWHRLRQPJJYOF-CQSZACIVSA-N 1 0 307.413 3.220 10 30 DGEERO CCc1cnc(CCNC(=[NH2+])Nc2cccc(CC)c2)s1 ZINC000304775182 657651492 /nfs/dbraw/zinc/65/14/92/657651492.db2.gz CHJODLLRISUUIO-UHFFFAOYSA-N 1 0 302.447 3.237 10 30 DGEERO CC(C)COC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000054328560 657839822 /nfs/dbraw/zinc/83/98/22/657839822.db2.gz OWHFCJYSJCBDTR-UHFFFAOYSA-N 1 0 316.445 3.464 10 30 DGEERO Cc1cccc2[nH]c(CNC(=[NH2+])Nc3ccc(C)c(C)c3)nc21 ZINC000305713019 657921679 /nfs/dbraw/zinc/92/16/79/657921679.db2.gz KTGUYFVHYITCNE-UHFFFAOYSA-N 1 0 307.401 3.415 10 30 DGEERO CC1CCN(C(=[NH2+])N[C@H]2C[C@@H]2c2ccccc2OC(F)F)CC1 ZINC000262849082 658045944 /nfs/dbraw/zinc/04/59/44/658045944.db2.gz WJINTRXKKBBNCQ-KGLIPLIRSA-N 1 0 323.387 3.191 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CSc2ccccc21 ZINC000263111130 658140707 /nfs/dbraw/zinc/14/07/07/658140707.db2.gz LBLZUKYKLRMZQH-GFCCVEGCSA-N 1 0 317.483 3.084 10 30 DGEERO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)N[C@H]1CC12CCCC2 ZINC000263291076 658193300 /nfs/dbraw/zinc/19/33/00/658193300.db2.gz WLGCESVRXNDQRE-ZDUSSCGKSA-N 1 0 311.351 3.442 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(O)c(OC)c1 ZINC000164141993 658918747 /nfs/dbraw/zinc/91/87/47/658918747.db2.gz XFAOGNTWANQAOQ-IRXDYDNUSA-N 1 0 317.429 3.273 10 30 DGEERO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164259605 658923069 /nfs/dbraw/zinc/92/30/69/658923069.db2.gz UUGUPIYPXOFMOQ-DZGCQCFKSA-N 1 0 310.463 3.454 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1 ZINC000063288355 659376975 /nfs/dbraw/zinc/37/69/75/659376975.db2.gz SMEJASXBSBYAGT-GOSISDBHSA-N 1 0 312.369 3.316 10 30 DGEERO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC2(C)C)cc1C ZINC000175172126 659916687 /nfs/dbraw/zinc/91/66/87/659916687.db2.gz SIGILRJEPSMXPN-UHFFFAOYSA-N 1 0 313.445 3.425 10 30 DGEERO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000159902306 661897605 /nfs/dbraw/zinc/89/76/05/661897605.db2.gz XVPLQQRUBPDZHH-MRXNPFEDSA-N 1 0 315.442 3.001 10 30 DGEERO CC[C@H](C#N)C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719960388 662299848 /nfs/dbraw/zinc/29/98/48/662299848.db2.gz VZQZHBBUUCUJFR-MSOLQXFVSA-N 1 0 313.445 3.049 10 30 DGEERO C#CCCOc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000093585717 662357585 /nfs/dbraw/zinc/35/75/85/662357585.db2.gz QLTKIIQPUJTDLT-UYAOXDASSA-N 1 0 313.441 3.216 10 30 DGEERO C#CC[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000387957490 685186748 /nfs/dbraw/zinc/18/67/48/685186748.db2.gz ZPYOJKJVQZJBSP-UHFFFAOYSA-N 1 0 307.319 3.087 10 30 DGEERO C=CCSCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404778572 1199584346 /nfs/dbraw/zinc/58/43/46/1199584346.db2.gz BHEYLSFLPMDAFR-OLZOCXBDSA-N 1 0 314.495 3.187 10 30 DGEERO C=CCCOCC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000120872981 1200179213 /nfs/dbraw/zinc/17/92/13/1200179213.db2.gz YMXNHQQHLFSVEY-UHFFFAOYSA-N 1 0 313.445 3.231 10 30 DGEERO C=CCc1cc(C[NH2+][C@H](CO)CC(C)(C)C)cc(OC)c1O ZINC000121324578 1200208287 /nfs/dbraw/zinc/20/82/87/1200208287.db2.gz HFLCWYHUSCYVBM-HNNXBMFYSA-N 1 0 307.434 3.016 10 30 DGEERO CC[NH+]1CCC(Nc2cc(Br)ccc2C#N)CC1 ZINC000124430239 1200353556 /nfs/dbraw/zinc/35/35/56/1200353556.db2.gz LHCFBWQOYLNMEK-UHFFFAOYSA-N 1 0 308.223 3.217 10 30 DGEERO C[C@@H]1C[C@H](Nc2cc(Br)ccc2C#N)C[N@@H+]1C1CC1 ZINC000235384739 1202604449 /nfs/dbraw/zinc/60/44/49/1202604449.db2.gz DPTREDQAMXMOSI-MFKMUULPSA-N 1 0 320.234 3.358 10 30 DGEERO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cccc2c[nH]nc21)C(C)C ZINC000236682369 1202620454 /nfs/dbraw/zinc/62/04/54/1202620454.db2.gz RSWTYXDFAFCCSE-SFHVURJKSA-N 1 0 312.461 3.351 10 30 DGEERO C=CCN1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000237677654 1202688679 /nfs/dbraw/zinc/68/86/79/1202688679.db2.gz PPNUOIBEYWAQKB-UHFFFAOYSA-N 1 0 310.445 3.125 10 30 DGEERO Cc1ccc(NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000029415085 717119050 /nfs/dbraw/zinc/11/90/50/717119050.db2.gz LRZJYEYKFVJUGU-CYBMUJFWSA-O 1 0 320.413 3.249 10 30 DGEERO N#Cc1nccnc1N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709625351 1083918983 /nfs/dbraw/zinc/91/89/83/1083918983.db2.gz MIARZVYIQFRALP-KRWDZBQOSA-N 1 0 321.428 3.205 10 30 DGEERO CC[C@@](C)(C#N)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000354831721 529489531 /nfs/dbraw/zinc/48/95/31/529489531.db2.gz ZOGIITSUYNKTMP-RBUKOAKNSA-N 1 0 313.445 3.097 10 30 DGEERO C=C(C)CN1CCC([NH2+]C/C=C/c2ccccc2OC)CC1 ZINC000106245229 432020478 /nfs/dbraw/zinc/02/04/78/432020478.db2.gz VJLOLZNTDKNZKJ-SOFGYWHQSA-N 1 0 300.446 3.339 10 30 DGEERO C=CCCCN(C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000152601974 186088660 /nfs/dbraw/zinc/08/86/60/186088660.db2.gz GGCVXSAXBFWEMO-UHFFFAOYSA-N 1 0 303.450 3.246 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182073525 199383716 /nfs/dbraw/zinc/38/37/16/199383716.db2.gz ZOAVXDWWMZXKTO-INIZCTEOSA-N 1 0 321.424 3.117 10 30 DGEERO N#Cc1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000107723643 432038738 /nfs/dbraw/zinc/03/87/38/432038738.db2.gz BVUJORMQIYKPID-KRWDZBQOSA-N 1 0 312.417 3.040 10 30 DGEERO N#CC1(NC(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CCCCC1 ZINC000114494860 283047901 /nfs/dbraw/zinc/04/79/01/283047901.db2.gz QMGIFBFIKQGPMK-SFHVURJKSA-N 1 0 315.461 3.151 10 30 DGEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C(F)(F)F ZINC000262302490 283171640 /nfs/dbraw/zinc/17/16/40/283171640.db2.gz OSOPJSCKBYBYSQ-CORIIIEPSA-N 1 0 309.335 3.141 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000179593393 432063859 /nfs/dbraw/zinc/06/38/59/432063859.db2.gz IZQQGQUUFYQDGL-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000449241175 240086425 /nfs/dbraw/zinc/08/64/25/240086425.db2.gz RSCNOYVODUJODE-WBVHZDCISA-N 1 0 301.434 3.302 10 30 DGEERO C=CCCCC[C@H](C)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000449258738 240096194 /nfs/dbraw/zinc/09/61/94/240096194.db2.gz QRQRJWKWPKKECQ-INIZCTEOSA-N 1 0 303.450 3.143 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000449508749 240255785 /nfs/dbraw/zinc/25/57/85/240255785.db2.gz NNBADXDXRFLBGR-RBUKOAKNSA-N 1 0 301.430 3.138 10 30 DGEERO N#Cc1ccc2ncc(C[N@H+](CCC(F)(F)F)CC3CC3)n2c1 ZINC000091901566 193124614 /nfs/dbraw/zinc/12/46/14/193124614.db2.gz LGABMWSKKFOSDU-UHFFFAOYSA-N 1 0 322.334 3.370 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000455384111 242185871 /nfs/dbraw/zinc/18/58/71/242185871.db2.gz NWIFBHHDIQQQNL-LJQANCHMSA-N 1 0 313.445 3.365 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000455387734 242188187 /nfs/dbraw/zinc/18/81/87/242188187.db2.gz UDICJKSPALGIDT-GASCZTMLSA-N 1 0 301.434 3.362 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(OCC#N)cc1 ZINC000245866572 299383039 /nfs/dbraw/zinc/38/30/39/299383039.db2.gz IPWRKOXTVGKITJ-VIBAHUMZSA-N 1 0 300.402 3.197 10 30 DGEERO C=CC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458982517 243218293 /nfs/dbraw/zinc/21/82/93/243218293.db2.gz AZNHHFLRCMJBMH-KRWDZBQOSA-N 1 0 315.461 3.115 10 30 DGEERO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868674 193320863 /nfs/dbraw/zinc/32/08/63/193320863.db2.gz SIFIHDYLNQSMIM-ZBFHGGJFSA-N 1 0 314.458 3.312 10 30 DGEERO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000121494744 284198541 /nfs/dbraw/zinc/19/85/41/284198541.db2.gz FCXPKEKKPJMTHY-HNAYVOBHSA-N 1 0 324.424 3.211 10 30 DGEERO C=C(CNC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000490191866 245388925 /nfs/dbraw/zinc/38/89/25/245388925.db2.gz XZKTVPATWOTRPL-UHFFFAOYSA-N 1 0 315.461 3.264 10 30 DGEERO C=CCSCC[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000490894107 245442667 /nfs/dbraw/zinc/44/26/67/245442667.db2.gz KXDSEPFPJJJOQE-UHFFFAOYSA-N 1 0 315.442 3.161 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000266487134 205382548 /nfs/dbraw/zinc/38/25/48/205382548.db2.gz RJSJHYUHTFDRFB-OXJNMPFZSA-N 1 0 305.425 3.483 10 30 DGEERO O=C1C[C@@H](c2ccccc2O)CC2=[NH+][C@H]3CCCC[C@@H]3NC=C12 ZINC000017032131 182069921 /nfs/dbraw/zinc/06/99/21/182069921.db2.gz HHRJZVIAWCVHMT-RCBQFDQVSA-N 1 0 310.397 3.078 10 30 DGEERO C=CCOc1ccccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019794535 182149889 /nfs/dbraw/zinc/14/98/89/182149889.db2.gz LFEZOLFNZIMSDU-GOSISDBHSA-N 1 0 300.446 3.312 10 30 DGEERO CCOCC[N@@H+]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000246476734 432136759 /nfs/dbraw/zinc/13/67/59/432136759.db2.gz XZWKDHJEEQEWRX-VQIMIIECSA-N 1 0 315.461 3.052 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC)CCC#N ZINC000043021685 183329708 /nfs/dbraw/zinc/32/97/08/183329708.db2.gz CPTFSEPXLQOFCT-LSDHHAIUSA-N 1 0 324.266 3.463 10 30 DGEERO CC(C)N(CCC#N)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093394 183336764 /nfs/dbraw/zinc/33/67/64/183336764.db2.gz FYPROOLBFWSZGX-IUODEOHRSA-N 1 0 324.266 3.461 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(CC)CCC#N ZINC000043093262 183336410 /nfs/dbraw/zinc/33/64/10/183336410.db2.gz VANJZUCJJKPXEP-HUUCEWRRSA-N 1 0 324.266 3.463 10 30 DGEERO COc1cccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000181514896 533467192 /nfs/dbraw/zinc/46/71/92/533467192.db2.gz JWCFKQXFIJFTRP-HNNXBMFYSA-N 1 0 310.397 3.491 10 30 DGEERO COc1cccc(N2CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C2)c1 ZINC000174336661 533580622 /nfs/dbraw/zinc/58/06/22/533580622.db2.gz UGYJXWWFKSWKCI-INIZCTEOSA-N 1 0 315.461 3.441 10 30 DGEERO COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@H](C#N)C3)C2)c1 ZINC000248793957 533585384 /nfs/dbraw/zinc/58/53/84/533585384.db2.gz IZFFPPVIWMQVDB-BBWFWOEESA-N 1 0 313.445 3.193 10 30 DGEERO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2C[C@@H]2c2ccccc2OC(F)F)C1 ZINC000262842378 533634281 /nfs/dbraw/zinc/63/42/81/533634281.db2.gz UVEDSYGSIPLFGS-BNOWGMLFSA-N 1 0 323.387 3.191 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000595076442 400100392 /nfs/dbraw/zinc/10/03/92/400100392.db2.gz HRTCEUCROCJLAE-KRWDZBQOSA-N 1 0 303.402 3.033 10 30 DGEERO C=CC1CC[NH+](C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000600798293 400158152 /nfs/dbraw/zinc/15/81/52/400158152.db2.gz BRIFTGKZPYPCAG-QGZVFWFLSA-N 1 0 303.446 3.448 10 30 DGEERO C=C(C)CC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000387340709 400265321 /nfs/dbraw/zinc/26/53/21/400265321.db2.gz FDCMCIYQNXKKND-LLVKDONJSA-N 1 0 304.217 3.289 10 30 DGEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000617041925 400290875 /nfs/dbraw/zinc/29/08/75/400290875.db2.gz KZSQCPMFWBNYGP-RDJZCZTQSA-N 1 0 301.434 3.159 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000617041926 400291269 /nfs/dbraw/zinc/29/12/69/400291269.db2.gz KZSQCPMFWBNYGP-WBVHZDCISA-N 1 0 301.434 3.159 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(CC)CC2)CC1 ZINC000106263171 400326427 /nfs/dbraw/zinc/32/64/27/400326427.db2.gz DTUIDOMEFGUSSI-UHFFFAOYSA-N 1 0 307.482 3.295 10 30 DGEERO C=CCN(Cc1ccccc1)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602759740 400565030 /nfs/dbraw/zinc/56/50/30/400565030.db2.gz NISNSAXXSFJTPZ-CYBMUJFWSA-N 1 0 300.358 3.210 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000076737090 400669240 /nfs/dbraw/zinc/66/92/40/400669240.db2.gz AKVZQYUREDEEFE-AWEZNQCLSA-N 1 0 304.459 3.412 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000076974267 400682519 /nfs/dbraw/zinc/68/25/19/400682519.db2.gz JHERJAFNDUIYHS-MRXNPFEDSA-N 1 0 303.450 3.115 10 30 DGEERO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(-n2ccnn2)cc1 ZINC000182017010 400890662 /nfs/dbraw/zinc/89/06/62/400890662.db2.gz HHLWDAJVNUXQBC-OAHLLOKOSA-N 1 0 320.371 3.109 10 30 DGEERO C=CCNC(=O)C[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000181950920 400891210 /nfs/dbraw/zinc/89/12/10/400891210.db2.gz KNBCWOMZMFSZSM-FEAKQIBJSA-N 1 0 304.459 3.308 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccncc1CC)C(C)C ZINC000182510603 400892832 /nfs/dbraw/zinc/89/28/32/400892832.db2.gz LMDHLRWYDUYWSJ-SFHVURJKSA-N 1 0 315.461 3.072 10 30 DGEERO C=C(C)C[C@@H]([NH3+])c1ccc(F)cc1I ZINC000232452015 400972088 /nfs/dbraw/zinc/97/20/88/400972088.db2.gz YXGJCZZQFFQIDY-LLVKDONJSA-N 1 0 305.134 3.396 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000620309723 401054192 /nfs/dbraw/zinc/05/41/92/401054192.db2.gz CTZDKRUBEYJNHM-LZQZEXGQSA-N 1 0 310.441 3.143 10 30 DGEERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594424896 401061662 /nfs/dbraw/zinc/06/16/62/401061662.db2.gz DLKMBYOPOCCVTC-MAUKXSAKSA-N 1 0 313.445 3.225 10 30 DGEERO N#CCCCC[C@H]([NH3+])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000594601648 401126796 /nfs/dbraw/zinc/12/67/96/401126796.db2.gz YLLMYBLGEIKITM-LBPRGKRZSA-N 1 0 300.189 3.343 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594518707 401096445 /nfs/dbraw/zinc/09/64/45/401096445.db2.gz KPIAHNQFHAZGHG-SZMVWBNQSA-N 1 0 315.413 3.031 10 30 DGEERO C=C(C)[C@@H](CC(=O)N1CCC(CC)([NH+]2CCCC2)CC1)OCC ZINC000633953860 401160487 /nfs/dbraw/zinc/16/04/87/401160487.db2.gz HMPKRIGSDANIMM-QGZVFWFLSA-N 1 0 322.493 3.225 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000625704558 401188432 /nfs/dbraw/zinc/18/84/32/401188432.db2.gz ONQFENAMRXXYKS-CYBMUJFWSA-N 1 0 315.442 3.157 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1 ZINC000594961994 401210757 /nfs/dbraw/zinc/21/07/57/401210757.db2.gz CPMPHTTVMVZVJD-KUDFPVQQSA-N 1 0 307.459 3.031 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625784016 401216688 /nfs/dbraw/zinc/21/66/88/401216688.db2.gz BTXBTVAXWNPVFB-YJBOKZPZSA-N 1 0 315.461 3.326 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701377 401186001 /nfs/dbraw/zinc/18/60/01/401186001.db2.gz QPHZOSXOBMEVCB-KGLIPLIRSA-N 1 0 322.399 3.382 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701378 401186150 /nfs/dbraw/zinc/18/61/50/401186150.db2.gz QPHZOSXOBMEVCB-UONOGXRCSA-N 1 0 322.399 3.382 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccccc2OC)C1 ZINC000625701407 401186463 /nfs/dbraw/zinc/18/64/63/401186463.db2.gz RDVYEXHVRMMTEZ-HOTGVXAUSA-N 1 0 316.445 3.113 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000625702990 401188288 /nfs/dbraw/zinc/18/82/88/401188288.db2.gz PIJWBIPPCKJEPJ-MRXNPFEDSA-N 1 0 307.459 3.057 10 30 DGEERO C=CC(C)(C)CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000625899892 401245956 /nfs/dbraw/zinc/24/59/56/401245956.db2.gz FPHGYACVRYYQSZ-INIZCTEOSA-N 1 0 317.433 3.071 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000630921434 401354374 /nfs/dbraw/zinc/35/43/74/401354374.db2.gz JWPQBXWNYRQMCW-KRWDZBQOSA-N 1 0 304.478 3.457 10 30 DGEERO C=CCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626710611 401400925 /nfs/dbraw/zinc/40/09/25/401400925.db2.gz LCELPWQMFZIOHD-RBUKOAKNSA-N 1 0 312.457 3.227 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000627071693 401439338 /nfs/dbraw/zinc/43/93/38/401439338.db2.gz SXKLJAXHCDAVNQ-YJBOKZPZSA-N 1 0 315.461 3.417 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000627071691 401439388 /nfs/dbraw/zinc/43/93/88/401439388.db2.gz SXKLJAXHCDAVNQ-MAUKXSAKSA-N 1 0 315.461 3.417 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CC1CCN(CC(F)F)CC1 ZINC000623088970 401463174 /nfs/dbraw/zinc/46/31/74/401463174.db2.gz OJJFKGWUHSSRCR-UHFFFAOYSA-N 1 0 324.415 3.318 10 30 DGEERO C=CC(C)(C)CCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000623409270 401510069 /nfs/dbraw/zinc/51/00/69/401510069.db2.gz WPOWEEKZCQTHJK-AWEZNQCLSA-N 1 0 309.479 3.252 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2c(OC)cccc21 ZINC000631639107 401521485 /nfs/dbraw/zinc/52/14/85/401521485.db2.gz VYNMHVYGGXORFP-IMJJTQAJSA-N 1 0 303.402 3.090 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+]C(C)(C)[C@H](C)O)cc1OC ZINC000623477007 401527271 /nfs/dbraw/zinc/52/72/71/401527271.db2.gz YITGZNMKXBTKET-NSHDSACASA-N 1 0 313.825 3.162 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000623512648 401536774 /nfs/dbraw/zinc/53/67/74/401536774.db2.gz PJZUIQLKKWRVCI-BEFAXECRSA-N 1 0 317.429 3.307 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000628378917 401585863 /nfs/dbraw/zinc/58/58/63/401585863.db2.gz ICYZTSUCOIBOOU-CQSZACIVSA-N 1 0 309.475 3.386 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000628406343 401591979 /nfs/dbraw/zinc/59/19/79/401591979.db2.gz HXPKMEKOYIVVBT-IAGOWNOFSA-N 1 0 300.446 3.310 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000623566090 401547605 /nfs/dbraw/zinc/54/76/05/401547605.db2.gz GHZGWKGZNZOUAB-AEFFLSMTSA-N 1 0 315.461 3.205 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000623597071 401552758 /nfs/dbraw/zinc/55/27/58/401552758.db2.gz VUTQUODANHDPTL-IAGOWNOFSA-N 1 0 315.461 3.115 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)C(F)(F)CC)CC1 ZINC000623634905 401559660 /nfs/dbraw/zinc/55/96/60/401559660.db2.gz FZBITLQLZVIDRH-UHFFFAOYSA-N 1 0 317.424 3.008 10 30 DGEERO C=C1CC(C)(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000632335226 401601694 /nfs/dbraw/zinc/60/16/94/401601694.db2.gz YNTYRGGDODAWCT-WMZOPIPTSA-N 1 0 312.457 3.370 10 30 DGEERO C=C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000628965194 401651036 /nfs/dbraw/zinc/65/10/36/401651036.db2.gz KOKIXOJGUYEKQG-VQIMIIECSA-N 1 0 312.457 3.479 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187232266 165082932 /nfs/dbraw/zinc/08/29/32/165082932.db2.gz ZXOXYTQVTUOCFR-DNVCBOLYSA-N 1 0 321.424 3.288 10 30 DGEERO Cn1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191438025 165249669 /nfs/dbraw/zinc/24/96/69/165249669.db2.gz WUZYAUDNSXQOIR-HOCLYGCPSA-N 1 0 315.442 3.046 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2cccc([C@H](C)OC)c2)CC1 ZINC000171639992 432154237 /nfs/dbraw/zinc/15/42/37/432154237.db2.gz JWZXUUIYZHALJT-AWEZNQCLSA-N 1 0 317.433 3.166 10 30 DGEERO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000247024511 432192077 /nfs/dbraw/zinc/19/20/77/432192077.db2.gz YCXIPXNVGIWSPU-OKZBNKHCSA-N 1 0 307.409 3.041 10 30 DGEERO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000246947260 432183048 /nfs/dbraw/zinc/18/30/48/432183048.db2.gz ZOSDOVHKKIOZEN-DYEKYZERSA-N 1 0 317.433 3.463 10 30 DGEERO C[N+](C)(C1CCCC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000160081609 228244650 /nfs/dbraw/zinc/24/46/50/228244650.db2.gz XHOXGBPSKZCUDT-KRWDZBQOSA-N 1 0 305.417 3.340 10 30 DGEERO C[N+](C)(C1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000179846394 228353252 /nfs/dbraw/zinc/35/32/52/228353252.db2.gz CDQRGHXSUHNNRF-GOSISDBHSA-N 1 0 312.437 3.073 10 30 DGEERO [NH2+]=C(NCc1ccc(C2CC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000262422223 228644120 /nfs/dbraw/zinc/64/41/20/228644120.db2.gz VBGGLKRTUQISEL-SFHVURJKSA-N 1 0 321.424 3.492 10 30 DGEERO N#CC1(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)CCCC1 ZINC000333195411 229037452 /nfs/dbraw/zinc/03/74/52/229037452.db2.gz WCRIEDWFQRCACS-UHFFFAOYSA-N 1 0 311.429 3.239 10 30 DGEERO C[C@@]1(CNc2ccc(C#N)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000302377809 230226947 /nfs/dbraw/zinc/22/69/47/230226947.db2.gz GBYWTQVCHATEMD-IBGZPJMESA-N 1 0 306.413 3.420 10 30 DGEERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cc2Br)C1 ZINC000213324183 263834934 /nfs/dbraw/zinc/83/49/34/263834934.db2.gz IXFJGNGAZYEGAF-GFCCVEGCSA-N 1 0 308.223 3.217 10 30 DGEERO COCC[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047549233 270003286 /nfs/dbraw/zinc/00/32/86/270003286.db2.gz QBUVOGFLFBZCEF-UHFFFAOYSA-N 1 0 305.381 3.079 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C#N)cc1F ZINC000358580610 270004022 /nfs/dbraw/zinc/00/40/22/270004022.db2.gz YGJWWEJJNUEICV-QEORTHHSSA-N 1 0 320.433 3.403 10 30 DGEERO C=CCC[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000247434654 432230106 /nfs/dbraw/zinc/23/01/06/432230106.db2.gz NYESCJCVKDUHJH-ULQDDVLXSA-N 1 0 307.434 3.275 10 30 DGEERO Cc1cc(C)c2ncc(C#N)c(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000172757302 432233259 /nfs/dbraw/zinc/23/32/59/432233259.db2.gz NSGIWIMTVICCGN-MRXNPFEDSA-N 1 0 306.413 3.008 10 30 DGEERO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccncc2C#N)CC1 ZINC000364347071 267010825 /nfs/dbraw/zinc/01/08/25/267010825.db2.gz KWJYZFXZHHRFLH-MRXNPFEDSA-N 1 0 312.461 3.434 10 30 DGEERO C[C@@H]1CCN(c2ccncc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000369963554 267024770 /nfs/dbraw/zinc/02/47/70/267024770.db2.gz GGVJQQNTSPIRQA-MRXNPFEDSA-N 1 0 306.413 3.054 10 30 DGEERO C[NH+]=C(NCc1ccco1)NCc1nc(C(C)C)c(C)s1 ZINC000262296304 275408639 /nfs/dbraw/zinc/40/86/39/275408639.db2.gz IXUWWBFMAOFTEG-UHFFFAOYSA-N 1 0 306.435 3.033 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000435745759 275419262 /nfs/dbraw/zinc/41/92/62/275419262.db2.gz QDVXOAJIMLEEQI-CJNGLKHVSA-N 1 0 303.431 3.005 10 30 DGEERO CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1)[NH+]1CCCCC1 ZINC000329101815 276011004 /nfs/dbraw/zinc/01/10/04/276011004.db2.gz FGUIASKJQMQPOI-HYVNUMGLSA-N 1 0 321.465 3.351 10 30 DGEERO C=C(Br)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000368065725 276855387 /nfs/dbraw/zinc/85/53/87/276855387.db2.gz UUIRGWWMTKBLQP-ZIAGYGMSSA-N 1 0 313.214 3.069 10 30 DGEERO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000120043245 279239896 /nfs/dbraw/zinc/23/98/96/279239896.db2.gz JKAREFQJAXLUDA-OAHLLOKOSA-N 1 0 307.397 3.407 10 30 DGEERO COc1cccc(/C=N/Cc2ccc(F)c(C[NH+](C)C)c2)c1O ZINC000114990750 431419413 /nfs/dbraw/zinc/41/94/13/431419413.db2.gz MCISLWWFDUOEIB-RGVLZGJSSA-N 1 0 316.376 3.221 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716812 431377991 /nfs/dbraw/zinc/37/79/91/431377991.db2.gz OKETVKVKPWZPJE-STQMWFEESA-N 1 0 310.388 3.429 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000076734308 431561791 /nfs/dbraw/zinc/56/17/91/431561791.db2.gz AZEYPQLHQHAVAB-UHFFFAOYSA-N 1 0 313.445 3.448 10 30 DGEERO C=CCN(CC(=O)Nc1ccccc1F)Cc1cccc(C#N)c1 ZINC000119658002 431712832 /nfs/dbraw/zinc/71/28/32/431712832.db2.gz PDAOKRQWHYDZSC-UHFFFAOYSA-N 1 0 323.371 3.324 10 30 DGEERO CC1(C)CN(Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000119456341 431694229 /nfs/dbraw/zinc/69/42/29/431694229.db2.gz IJKTUAJHXNLBCH-UHFFFAOYSA-N 1 0 309.413 3.248 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691274 431696352 /nfs/dbraw/zinc/69/63/52/431696352.db2.gz LGJHRCJLIYIEBI-UONOGXRCSA-N 1 0 322.424 3.298 10 30 DGEERO C#CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000123052641 431853335 /nfs/dbraw/zinc/85/33/35/431853335.db2.gz SIWXJNJYBIQREQ-GOSISDBHSA-N 1 0 309.413 3.041 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093438118 431913975 /nfs/dbraw/zinc/91/39/75/431913975.db2.gz KSXOVUMSJICXDJ-RDTXWAMCSA-N 1 0 310.401 3.428 10 30 DGEERO COc1ccc(C[C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000090107481 431890412 /nfs/dbraw/zinc/89/04/12/431890412.db2.gz SOELESKSUGDHJJ-OAHLLOKOSA-N 1 0 310.397 3.166 10 30 DGEERO COc1ccc2c(c1)C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)CC2 ZINC000090107439 431890426 /nfs/dbraw/zinc/89/04/26/431890426.db2.gz LTWFHTRMGIBGMN-SFHVURJKSA-N 1 0 322.408 3.093 10 30 DGEERO CC(C)[N@H+](C)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101225 431903355 /nfs/dbraw/zinc/90/33/55/431903355.db2.gz GHRAWZUWBHBHHR-UHFFFAOYSA-N 1 0 321.424 3.182 10 30 DGEERO CC[N@@H+]1CC[C@H](N(C)CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000125786305 431936229 /nfs/dbraw/zinc/93/62/29/431936229.db2.gz JKMHUVOCLQPBPF-QAPCUYQASA-N 1 0 304.865 3.354 10 30 DGEERO N#Cc1ccc([C@H](O)C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000126624317 431954749 /nfs/dbraw/zinc/95/47/49/431954749.db2.gz QRLAVKRYPOHLQL-HXUWFJFHSA-N 1 0 304.393 3.381 10 30 DGEERO CC[C@]1(C)CCN(C(NCc2nccc3ccccc32)=[NH+]C)C1 ZINC000261847262 281312554 /nfs/dbraw/zinc/31/25/54/281312554.db2.gz XLLMXBVLTNUUAI-LJQANCHMSA-N 1 0 310.445 3.432 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000151943252 432291310 /nfs/dbraw/zinc/29/13/10/432291310.db2.gz LDPAGDXCAPWVMX-HNNXBMFYSA-N 1 0 321.490 3.493 10 30 DGEERO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191974571 432320373 /nfs/dbraw/zinc/32/03/73/432320373.db2.gz GXBPEGMMAPPGMI-MJGOQNOKSA-N 1 0 312.457 3.055 10 30 DGEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)C1 ZINC000248876703 432325923 /nfs/dbraw/zinc/32/59/23/432325923.db2.gz RCTOOWYIMYGMAX-DFBGVHRSSA-N 1 0 323.234 3.154 10 30 DGEERO N#Cc1cc(N2CCC[N@@H+](C3CC3)CC2)ccc1C(F)(F)F ZINC000183993300 432343745 /nfs/dbraw/zinc/34/37/45/432343745.db2.gz JQTIAPMLLLIWLL-UHFFFAOYSA-N 1 0 309.335 3.252 10 30 DGEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000249402951 432347317 /nfs/dbraw/zinc/34/73/17/432347317.db2.gz VOLFHEDFIKMSTH-CZUORRHYSA-N 1 0 300.402 3.283 10 30 DGEERO CO[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1C ZINC000251944476 432374011 /nfs/dbraw/zinc/37/40/11/432374011.db2.gz UXGDBOMZDFKNET-XJKSGUPXSA-N 1 0 311.347 3.414 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2ncnc3c(C)csc32)CC1 ZINC000192574752 432389317 /nfs/dbraw/zinc/38/93/17/432389317.db2.gz KNNZCYRFYHGPSJ-UHFFFAOYSA-N 1 0 302.447 3.452 10 30 DGEERO Cc1ccc(O[C@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000174593594 432358058 /nfs/dbraw/zinc/35/80/58/432358058.db2.gz YMIPMRIKCWIVAS-OAHLLOKOSA-N 1 0 320.396 3.072 10 30 DGEERO C=CCOc1ccccc1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261607062 432433190 /nfs/dbraw/zinc/43/31/90/432433190.db2.gz BJQWJPILVIPRHC-RBUKOAKNSA-N 1 0 308.425 3.178 10 30 DGEERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000193025307 432439921 /nfs/dbraw/zinc/43/99/21/432439921.db2.gz ZPBQXQOOPFSTNR-DOTOQJQBSA-N 1 0 303.450 3.216 10 30 DGEERO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000193123843 432452248 /nfs/dbraw/zinc/45/22/48/432452248.db2.gz HRPRTAWQMXVAAR-UKRRQHHQSA-N 1 0 320.458 3.060 10 30 DGEERO COc1ccc(C#N)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000153524283 432416434 /nfs/dbraw/zinc/41/64/34/432416434.db2.gz NZXIPJJXEYJNLI-SFHVURJKSA-N 1 0 314.429 3.490 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194457274 432551863 /nfs/dbraw/zinc/55/18/63/432551863.db2.gz XQHUNQYPHQCHPJ-GOSISDBHSA-N 1 0 315.461 3.116 10 30 DGEERO FC(F)(F)c1ccc(C#CCN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000177276128 432607688 /nfs/dbraw/zinc/60/76/88/432607688.db2.gz MTOBQTZTMWYXNY-QGZVFWFLSA-N 1 0 322.374 3.227 10 30 DGEERO Cn1nccc1C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177091746 432584635 /nfs/dbraw/zinc/58/46/35/432584635.db2.gz QJKKZFNUNPMYJR-UHFFFAOYSA-N 1 0 313.832 3.305 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000186695894 432623051 /nfs/dbraw/zinc/62/30/51/432623051.db2.gz WSAKFGNVNPOSBG-ONGXEEELSA-N 1 0 302.187 3.176 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000186708302 432623942 /nfs/dbraw/zinc/62/39/42/432623942.db2.gz PNNNQKPXUOYZDX-ONGXEEELSA-N 1 0 302.187 3.176 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000186703741 432624033 /nfs/dbraw/zinc/62/40/33/432624033.db2.gz CENQUQXTHZCYQN-MNOVXSKESA-N 1 0 314.223 3.045 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000186712469 432624844 /nfs/dbraw/zinc/62/48/44/432624844.db2.gz HJXFCQXRLJJXEA-ZYHUDNBSSA-N 1 0 314.223 3.045 10 30 DGEERO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000195314873 432618542 /nfs/dbraw/zinc/61/85/42/432618542.db2.gz LXRKXEOXSZISGY-MRXNPFEDSA-N 1 0 322.408 3.370 10 30 DGEERO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(-n2cncn2)cc1 ZINC000177681422 432648882 /nfs/dbraw/zinc/64/88/82/432648882.db2.gz CWDFZQNCPFLPNJ-GFCCVEGCSA-N 1 0 309.398 3.051 10 30 DGEERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(F)cc1C#N ZINC000187477718 432666174 /nfs/dbraw/zinc/66/61/74/432666174.db2.gz XRTFGWBTKCECAM-CYBMUJFWSA-N 1 0 318.396 3.083 10 30 DGEERO CC(C)[N@H+](CCOc1ccc(C#N)cc1)CCc1nccs1 ZINC000159837215 432697806 /nfs/dbraw/zinc/69/78/06/432697806.db2.gz VLYOKNUIIAFVIW-UHFFFAOYSA-N 1 0 315.442 3.347 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000160005232 432703554 /nfs/dbraw/zinc/70/35/54/432703554.db2.gz WQLVBOLJZSDANE-QGZVFWFLSA-N 1 0 324.428 3.163 10 30 DGEERO C=CCC[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000188814000 432746779 /nfs/dbraw/zinc/74/67/79/432746779.db2.gz YVVCBSMPCJRTBQ-LJQANCHMSA-N 1 0 312.457 3.433 10 30 DGEERO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000245439395 432830197 /nfs/dbraw/zinc/83/01/97/432830197.db2.gz FUNIBACSDAICIN-MBNYWOFBSA-N 1 0 303.431 3.211 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000161745649 432795342 /nfs/dbraw/zinc/79/53/42/432795342.db2.gz QWJJOFFAJGMZTI-INIZCTEOSA-N 1 0 313.445 3.251 10 30 DGEERO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000245770231 432861766 /nfs/dbraw/zinc/86/17/66/432861766.db2.gz ROMXXRKEXKTKDV-AEFFLSMTSA-N 1 0 324.428 3.320 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000245694931 432856938 /nfs/dbraw/zinc/85/69/38/432856938.db2.gz CDNHPFREVVLPPQ-DNVCBOLYSA-N 1 0 323.396 3.026 10 30 DGEERO O=C(NC1CC1)[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccccc1 ZINC000330200504 432896828 /nfs/dbraw/zinc/89/68/28/432896828.db2.gz AITYDQLDJTZAAA-ZACQAIPSSA-N 1 0 300.402 3.004 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1F ZINC000330206548 432897503 /nfs/dbraw/zinc/89/75/03/432897503.db2.gz DJXYCNDIVFEOAJ-IUIKQTSFSA-N 1 0 306.381 3.268 10 30 DGEERO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000330223169 432898358 /nfs/dbraw/zinc/89/83/58/432898358.db2.gz MYLCSPKGVVIWEJ-QRTARXTBSA-N 1 0 302.418 3.437 10 30 DGEERO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000330235244 432898682 /nfs/dbraw/zinc/89/86/82/432898682.db2.gz TUUAUIYWCPUBTH-PEYYIBSZSA-N 1 0 306.381 3.268 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1F ZINC000330238715 432899681 /nfs/dbraw/zinc/89/96/81/432899681.db2.gz DJXYCNDIVFEOAJ-XZJROXQQSA-N 1 0 306.381 3.268 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1Cl ZINC000330268067 432901117 /nfs/dbraw/zinc/90/11/17/432901117.db2.gz QXXGEPKTIJRSBL-NZVBXONLSA-N 1 0 308.809 3.474 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446711494 433083895 /nfs/dbraw/zinc/08/38/95/433083895.db2.gz MRJDKPJYXMTJMQ-FXAWDEMLSA-N 1 0 312.457 3.239 10 30 DGEERO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447584892 433235974 /nfs/dbraw/zinc/23/59/74/433235974.db2.gz HIDNGAKWVQLNDZ-RBUKOAKNSA-N 1 0 319.408 3.404 10 30 DGEERO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447584891 433236799 /nfs/dbraw/zinc/23/67/99/433236799.db2.gz HIDNGAKWVQLNDZ-OALUTQOASA-N 1 0 319.408 3.404 10 30 DGEERO C=CCCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000448028512 433351190 /nfs/dbraw/zinc/35/11/90/433351190.db2.gz DDJZTUYWHHFBDF-GDBMZVCRSA-N 1 0 321.490 3.396 10 30 DGEERO C=CCCC[NH2+][C@@H](CN1CCOCC1)c1ccc(CC)cc1 ZINC000448026331 433352695 /nfs/dbraw/zinc/35/26/95/433352695.db2.gz HUYWIFAKMBRVPD-IBGZPJMESA-N 1 0 302.462 3.178 10 30 DGEERO C=CCCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000448027646 433353308 /nfs/dbraw/zinc/35/33/08/433353308.db2.gz ALUIPWQWJACSMQ-UHFFFAOYSA-N 1 0 315.461 3.438 10 30 DGEERO C=CCCCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000448034831 433356489 /nfs/dbraw/zinc/35/64/89/433356489.db2.gz LRWSKEXUCVIXGA-KRWDZBQOSA-N 1 0 315.461 3.259 10 30 DGEERO C=CC[C@H](CC)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000281739742 433366346 /nfs/dbraw/zinc/36/63/46/433366346.db2.gz DJIOUHSVPGWKIL-HNNXBMFYSA-N 1 0 307.413 3.041 10 30 DGEERO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000413980691 433333642 /nfs/dbraw/zinc/33/36/42/433333642.db2.gz CRFSNABSQVRIFG-GOSISDBHSA-N 1 0 323.440 3.060 10 30 DGEERO C=CCCCNC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000447972359 433335919 /nfs/dbraw/zinc/33/59/19/433335919.db2.gz QFPWLBFCCDVVJH-HNNXBMFYSA-N 1 0 309.479 3.396 10 30 DGEERO N#Cc1cccnc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000301124597 433426471 /nfs/dbraw/zinc/42/64/71/433426471.db2.gz XWYAMHUNDCQSNW-GOSISDBHSA-N 1 0 306.413 3.420 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000448368593 433397451 /nfs/dbraw/zinc/39/74/51/433397451.db2.gz WSUSYGHBZLLREA-FRQCXROJSA-N 1 0 317.429 3.020 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000448377198 433405835 /nfs/dbraw/zinc/40/58/35/433405835.db2.gz RGWQWYGVLKCYBN-FCEWJHQRSA-N 1 0 317.429 3.020 10 30 DGEERO C=CCCCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000448391725 433406102 /nfs/dbraw/zinc/40/61/02/433406102.db2.gz UUTUWGPXSRUOQW-SFHVURJKSA-N 1 0 315.461 3.259 10 30 DGEERO Cc1cc(C#N)cc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000342047243 433435505 /nfs/dbraw/zinc/43/55/05/433435505.db2.gz UPBKNYBOTZFNQO-UHFFFAOYSA-N 1 0 320.440 3.363 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@H](CC)C2)cc1OC ZINC000421389909 433533122 /nfs/dbraw/zinc/53/31/22/433533122.db2.gz RTUSNBGYRWBYGN-JKSUJKDBSA-N 1 0 305.418 3.307 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](CC)C2)cc1OC ZINC000421389904 433534034 /nfs/dbraw/zinc/53/40/34/433534034.db2.gz RTUSNBGYRWBYGN-CVEARBPZSA-N 1 0 305.418 3.307 10 30 DGEERO C=C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000362368294 433662781 /nfs/dbraw/zinc/66/27/81/433662781.db2.gz ACRAJCUMKWLSCZ-KCQAQPDRSA-N 1 0 307.463 3.005 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000414542038 433704236 /nfs/dbraw/zinc/70/42/36/433704236.db2.gz CTRLPNYLEDDSTG-QGZVFWFLSA-N 1 0 315.388 3.256 10 30 DGEERO C=CCc1cc(C[N@H+]2CCC[C@@H](COC)CC2)cc(OC)c1O ZINC000449768660 433779762 /nfs/dbraw/zinc/77/97/62/433779762.db2.gz AQHYUSTZYNYJPN-OAHLLOKOSA-N 1 0 319.445 3.378 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000284565419 433897700 /nfs/dbraw/zinc/89/77/00/433897700.db2.gz YOIVLFQBEHFZRX-YOEHRIQHSA-N 1 0 304.434 3.016 10 30 DGEERO CC(C)Oc1ccc(CCNC(=[NH2+])N2CCC(C)CC2)cc1 ZINC000303261240 433931267 /nfs/dbraw/zinc/93/12/67/433931267.db2.gz OFBMZHGZZHBGLN-UHFFFAOYSA-N 1 0 303.450 3.063 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)cc1Cl ZINC000295133768 434217033 /nfs/dbraw/zinc/21/70/33/434217033.db2.gz YOGPRIPGYKJSQQ-JSGCOSHPSA-N 1 0 319.779 3.399 10 30 DGEERO C=CCC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccco1 ZINC000364970335 434285419 /nfs/dbraw/zinc/28/54/19/434285419.db2.gz KOTMQBTXKIMGGW-RDJZCZTQSA-N 1 0 314.433 3.279 10 30 DGEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](C/C=C/c3ccccc3)C2)n1 ZINC000328630817 434294100 /nfs/dbraw/zinc/29/41/00/434294100.db2.gz QFVBNQGZOXERBY-JZLODUJNSA-N 1 0 310.401 3.451 10 30 DGEERO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328717894 434300018 /nfs/dbraw/zinc/30/00/18/434300018.db2.gz UULLYKJMNBTREZ-ZBFHGGJFSA-N 1 0 304.438 3.198 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)NCC1CCCCC1 ZINC000328909024 434330180 /nfs/dbraw/zinc/33/01/80/434330180.db2.gz MMRYTPOVLYJIIA-XGWLTEMNSA-N 1 0 321.465 3.399 10 30 DGEERO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCCC1 ZINC000329192939 434369016 /nfs/dbraw/zinc/36/90/16/434369016.db2.gz TVZQEVGTZZOPDA-WBVHZDCISA-N 1 0 321.465 3.495 10 30 DGEERO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1F ZINC000358574097 434397975 /nfs/dbraw/zinc/39/79/75/434397975.db2.gz ROKRLPDHCZGBDX-HIFRSBDPSA-N 1 0 310.376 3.022 10 30 DGEERO C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358578616 434398324 /nfs/dbraw/zinc/39/83/24/434398324.db2.gz VSCKSYNPWMDOCL-OAHLLOKOSA-N 1 0 311.404 3.480 10 30 DGEERO C=CCOc1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000359455089 434418530 /nfs/dbraw/zinc/41/85/30/434418530.db2.gz FDSNYLWLRUJZSQ-QGZVFWFLSA-N 1 0 316.445 3.132 10 30 DGEERO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000329543162 434428869 /nfs/dbraw/zinc/42/88/69/434428869.db2.gz YDPIBXPULSPSEH-MSOLQXFVSA-N 1 0 324.428 3.097 10 30 DGEERO CN(c1ccncc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000399461380 434477264 /nfs/dbraw/zinc/47/72/64/434477264.db2.gz RGBLAQGENQFDLB-GOSISDBHSA-N 1 0 306.413 3.054 10 30 DGEERO Cc1cc(C)n([C@@H](C)CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000329804979 434484880 /nfs/dbraw/zinc/48/48/80/434484880.db2.gz KNVCVMYDXGUSCH-XYTVBORESA-N 1 0 318.465 3.423 10 30 DGEERO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000407993913 434534125 /nfs/dbraw/zinc/53/41/25/434534125.db2.gz WDJRJMQTYYJDEE-XSWJXKHESA-N 1 0 304.434 3.122 10 30 DGEERO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000407993912 434534903 /nfs/dbraw/zinc/53/49/03/434534903.db2.gz WDJRJMQTYYJDEE-LLDVTBCESA-N 1 0 304.434 3.122 10 30 DGEERO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000367035927 434536138 /nfs/dbraw/zinc/53/61/38/434536138.db2.gz LKKLMRHRLNNGNW-GQGLESIBSA-N 1 0 300.450 3.366 10 30 DGEERO C=C[C@H](CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000367903462 434561996 /nfs/dbraw/zinc/56/19/96/434561996.db2.gz KYTAKKQYKSIQKM-NZSAHSFTSA-N 1 0 312.457 3.337 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451679559 434574363 /nfs/dbraw/zinc/57/43/63/434574363.db2.gz ZEHRLXOAWBPYBJ-CVEARBPZSA-N 1 0 309.331 3.380 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cscc1Br ZINC000424172915 434644849 /nfs/dbraw/zinc/64/48/49/434644849.db2.gz MILGYVFAVBYBIW-CABZTGNLSA-N 1 0 302.237 3.191 10 30 DGEERO COc1ccc(C#N)cc1C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000370374968 434612127 /nfs/dbraw/zinc/61/21/27/434612127.db2.gz QRXNVYOJAWMPSW-UHFFFAOYSA-N 1 0 322.412 3.045 10 30 DGEERO Cn1cc(C[NH+]2CCC(C)(C#N)CC2)c(-c2cccs2)n1 ZINC000370359495 434612273 /nfs/dbraw/zinc/61/22/73/434612273.db2.gz OPAVBJNLDSGCNW-UHFFFAOYSA-N 1 0 300.431 3.274 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000424176168 434646833 /nfs/dbraw/zinc/64/68/33/434646833.db2.gz RBLSMXIJCRQLOY-GJZGRUSLSA-N 1 0 300.427 3.491 10 30 DGEERO C#CCC[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000371195661 434653003 /nfs/dbraw/zinc/65/30/03/434653003.db2.gz ODWOTLFEAUNBJM-UHFFFAOYSA-N 1 0 314.477 3.222 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000424289743 434679993 /nfs/dbraw/zinc/67/99/93/434679993.db2.gz ADINYMBTTAJZCW-MAZHCROVSA-N 1 0 305.443 3.413 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000424293142 434680795 /nfs/dbraw/zinc/68/07/95/434680795.db2.gz ICOUCJHSSNZBBD-HFTRVMKXSA-N 1 0 316.445 3.201 10 30 DGEERO C=CCn1cc(C[NH2+][C@H](C)CCc2ccc(Cl)s2)nn1 ZINC000424300904 434684673 /nfs/dbraw/zinc/68/46/73/434684673.db2.gz YRZCKZLNUNGGAJ-LLVKDONJSA-N 1 0 310.854 3.290 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000424300042 434685348 /nfs/dbraw/zinc/68/53/48/434685348.db2.gz WVLVCJQTPQAOOQ-GUBZILKMSA-N 1 0 317.252 3.147 10 30 DGEERO N#CCC[C@@H](C#N)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000371613586 434732359 /nfs/dbraw/zinc/73/23/59/434732359.db2.gz LANOTUAQKNAQDR-ROUUACIJSA-N 1 0 302.466 3.018 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC000527701795 435013332 /nfs/dbraw/zinc/01/33/32/435013332.db2.gz AMWJCBBEGCLMAG-ACJLOTCBSA-N 1 0 323.408 3.304 10 30 DGEERO C=CCOc1cccc(C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000527810010 435015979 /nfs/dbraw/zinc/01/59/79/435015979.db2.gz TUBDZUJBWRTWOP-GOSISDBHSA-N 1 0 300.446 3.358 10 30 DGEERO C=CC[NH+]1CCC(N[C@@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527860790 435016278 /nfs/dbraw/zinc/01/62/78/435016278.db2.gz XUEYGLSDOARFPK-INIZCTEOSA-N 1 0 324.472 3.388 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000527924139 435016864 /nfs/dbraw/zinc/01/68/64/435016864.db2.gz HCZPJAMRXORVPI-AEFFLSMTSA-N 1 0 301.478 3.484 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000528547429 435025754 /nfs/dbraw/zinc/02/57/54/435025754.db2.gz XGYAGNFMBIYJCH-NJAFHUGGSA-N 1 0 314.429 3.022 10 30 DGEERO C=CCOCC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528580563 435025982 /nfs/dbraw/zinc/02/59/82/435025982.db2.gz HJQDOELDCLHBHV-UHFFFAOYSA-N 1 0 319.449 3.184 10 30 DGEERO C=CCCCC[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527578342 435012916 /nfs/dbraw/zinc/01/29/16/435012916.db2.gz UHFSHKAETFWQJK-UHFFFAOYSA-N 1 0 304.434 3.447 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000466441087 435075845 /nfs/dbraw/zinc/07/58/45/435075845.db2.gz LNYDKMXFZZXABK-MRXNPFEDSA-N 1 0 324.534 3.457 10 30 DGEERO C=CCCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000467103891 435108583 /nfs/dbraw/zinc/10/85/83/435108583.db2.gz KTFFYRSBVGUWNY-HOCLYGCPSA-N 1 0 321.490 3.349 10 30 DGEERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000532124865 435141827 /nfs/dbraw/zinc/14/18/27/435141827.db2.gz LHPLPRUNAKMBHK-CQSZACIVSA-N 1 0 312.479 3.077 10 30 DGEERO C=C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000565040866 435275079 /nfs/dbraw/zinc/27/50/79/435275079.db2.gz PWXMRTWHGZBNTI-OXJNMPFZSA-N 1 0 320.436 3.431 10 30 DGEERO C=CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000565205701 435277274 /nfs/dbraw/zinc/27/72/74/435277274.db2.gz CUDLYIAVZHOJIE-GOSISDBHSA-N 1 0 315.461 3.156 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C)(C3CC3)CC2)CC1 ZINC000567531279 435325337 /nfs/dbraw/zinc/32/53/37/435325337.db2.gz DIVUKYAPGRCGQH-UHFFFAOYSA-N 1 0 319.493 3.249 10 30 DGEERO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1F ZINC000512654512 435363456 /nfs/dbraw/zinc/36/34/56/435363456.db2.gz MUOGUFXKOGHJTL-LBPRGKRZSA-N 1 0 313.332 3.499 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000537047833 435424314 /nfs/dbraw/zinc/42/43/14/435424314.db2.gz QBIQYQOFJKYAPV-MRXNPFEDSA-N 1 0 318.465 3.132 10 30 DGEERO C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000512659705 435366080 /nfs/dbraw/zinc/36/60/80/435366080.db2.gz JJFQCWVWVLFNTF-GJZGRUSLSA-N 1 0 303.425 3.470 10 30 DGEERO C=CCOc1ccccc1CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000539817321 435569543 /nfs/dbraw/zinc/56/95/43/435569543.db2.gz NSMAKJGEQAXRIC-FUHWJXTLSA-N 1 0 302.462 3.414 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000571102366 435676893 /nfs/dbraw/zinc/67/68/93/435676893.db2.gz ZHRPBVUKKSRILQ-UHFFFAOYSA-N 1 0 307.397 3.428 10 30 DGEERO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333521159 301307207 /nfs/dbraw/zinc/30/72/07/301307207.db2.gz KSCZGSUKCKQAET-LJQANCHMSA-N 1 0 324.403 3.134 10 30 DGEERO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(-n2ccnn2)cc1 ZINC000182004081 323279419 /nfs/dbraw/zinc/27/94/19/323279419.db2.gz UJWCRJGYSURQRH-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000072670300 331669552 /nfs/dbraw/zinc/66/95/52/331669552.db2.gz TVCQLMGTWXEZLX-QGZVFWFLSA-N 1 0 300.402 3.237 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000569375721 332067218 /nfs/dbraw/zinc/06/72/18/332067218.db2.gz BIBAEXVIHVOVIS-SJORKVTESA-N 1 0 307.482 3.390 10 30 DGEERO C=C(C)C[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000181273366 332188834 /nfs/dbraw/zinc/18/88/34/332188834.db2.gz JWRHYVOUVDCXHC-NSHDSACASA-N 1 0 304.217 3.241 10 30 DGEERO C=CCNC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000561126192 332413968 /nfs/dbraw/zinc/41/39/68/332413968.db2.gz QKMLFVBAPDQMIN-SFHVURJKSA-N 1 0 312.388 3.001 10 30 DGEERO C=CC[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000188385077 333365144 /nfs/dbraw/zinc/36/51/44/333365144.db2.gz YUGOFNLTZQWCTG-ROUUACIJSA-N 1 0 302.462 3.439 10 30 DGEERO C=CC[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000188409299 333365639 /nfs/dbraw/zinc/36/56/39/333365639.db2.gz DHVSMGLSQDURRP-MSOLQXFVSA-N 1 0 300.446 3.289 10 30 DGEERO C=CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000188409324 333365656 /nfs/dbraw/zinc/36/56/56/333365656.db2.gz DHVSMGLSQDURRP-ROUUACIJSA-N 1 0 300.446 3.289 10 30 DGEERO C[NH+]=C(NCC(F)F)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261657601 337607522 /nfs/dbraw/zinc/60/75/22/337607522.db2.gz AHOFOBCQAHTIAN-CYBMUJFWSA-N 1 0 323.387 3.253 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000509566341 340273633 /nfs/dbraw/zinc/27/36/33/340273633.db2.gz DYVIFFPHRNSQGY-HUUCEWRRSA-N 1 0 307.438 3.316 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc(OC)c1O ZINC000189721292 340539638 /nfs/dbraw/zinc/53/96/38/340539638.db2.gz HRCODFMJMOZXAC-HNNXBMFYSA-N 1 0 305.418 3.177 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)c1 ZINC000125956231 340817685 /nfs/dbraw/zinc/81/76/85/340817685.db2.gz KSYPBKQOTPMLNA-CVEARBPZSA-N 1 0 303.402 3.073 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542787175 341020700 /nfs/dbraw/zinc/02/07/00/341020700.db2.gz FRULIVLWXNYYRF-UHFFFAOYSA-N 1 0 315.442 3.184 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(C)(C)CC2)CC1 ZINC000074130123 341129556 /nfs/dbraw/zinc/12/95/56/341129556.db2.gz PMKPUNUTXKFSGO-UHFFFAOYSA-N 1 0 307.482 3.295 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000552268478 341382456 /nfs/dbraw/zinc/38/24/56/341382456.db2.gz KVMFBCVMPYSRLS-KURKYZTESA-N 1 0 300.446 3.214 10 30 DGEERO N#C[C@@H]1CCC[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C1 ZINC000248992360 341391522 /nfs/dbraw/zinc/39/15/22/341391522.db2.gz NUDMPJAQPFPWPR-GDBMZVCRSA-N 1 0 317.864 3.370 10 30 DGEERO C=CCC[C@H](C[N@H+]1CCCN(C)CC1)Oc1ccc(Cl)cn1 ZINC000067641692 518720077 /nfs/dbraw/zinc/72/00/77/518720077.db2.gz GVTIGZHAFKRCKD-MRXNPFEDSA-N 1 0 323.868 3.086 10 30 DGEERO C=CC(C)(C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000451331106 534497882 /nfs/dbraw/zinc/49/78/82/534497882.db2.gz RJLLCNXRJHWMQM-UHFFFAOYSA-N 1 0 318.383 3.120 10 30 DGEERO Cc1ccc[n+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000182241157 534548127 /nfs/dbraw/zinc/54/81/27/534548127.db2.gz BMWFMSYLJDQYJV-OAHLLOKOSA-N 1 0 305.760 3.053 10 30 DGEERO N#CCSCCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000074990215 534706392 /nfs/dbraw/zinc/70/63/92/534706392.db2.gz ZXRMRVWABXNYKH-CQSZACIVSA-N 1 0 304.415 3.199 10 30 DGEERO C=CC[N@@H+](Cc1ccc(CO)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000182697870 526334146 /nfs/dbraw/zinc/33/41/46/526334146.db2.gz SQKIDQZHMMNCHN-UHFFFAOYSA-N 1 0 312.369 3.275 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)c2ccc3ccc(OC)cc3c2)CC1 ZINC000339997970 526447525 /nfs/dbraw/zinc/44/75/25/526447525.db2.gz BFRDHRRCMBOPOP-UHFFFAOYSA-N 1 0 324.424 3.229 10 30 DGEERO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCO[C@H](CC)C1 ZINC000348639808 526560850 /nfs/dbraw/zinc/56/08/50/526560850.db2.gz ZMCGMXJNRCGPHU-JKSUJKDBSA-N 1 0 307.434 3.355 10 30 DGEERO C=C(C)CN1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000344069111 526602374 /nfs/dbraw/zinc/60/23/74/526602374.db2.gz KTMAFACFZFGRJY-UHFFFAOYSA-N 1 0 316.474 3.064 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000185466850 526700068 /nfs/dbraw/zinc/70/00/68/526700068.db2.gz JPXOQCOKDIRSEF-MRXNPFEDSA-N 1 0 318.461 3.236 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000184922619 526714554 /nfs/dbraw/zinc/71/45/54/526714554.db2.gz DBEJWXVMLDRBDL-HNNXBMFYSA-N 1 0 316.445 3.184 10 30 DGEERO C=CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)cc1 ZINC000353900143 526865548 /nfs/dbraw/zinc/86/55/48/526865548.db2.gz NZXGAIQJOARVON-QGZVFWFLSA-N 1 0 315.413 3.027 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000430150438 526868954 /nfs/dbraw/zinc/86/89/54/526868954.db2.gz RZSJZOYYAIUFOY-SFHVURJKSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCOc1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000348653739 526872918 /nfs/dbraw/zinc/87/29/18/526872918.db2.gz WVNAQUGBKDTLCU-SJLPKXTDSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1cccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000431751090 526911206 /nfs/dbraw/zinc/91/12/06/526911206.db2.gz CEVIJKAGOROMHH-INIZCTEOSA-N 1 0 302.418 3.454 10 30 DGEERO C=CCOc1ccccc1C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000353913982 526931149 /nfs/dbraw/zinc/93/11/49/526931149.db2.gz JQUOQWHIPPVXIN-INIZCTEOSA-N 1 0 315.413 3.027 10 30 DGEERO C=CCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000351639586 527159187 /nfs/dbraw/zinc/15/91/87/527159187.db2.gz QJJWVOCARZNDRY-IAGOWNOFSA-N 1 0 301.434 3.087 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000341126143 527249936 /nfs/dbraw/zinc/24/99/36/527249936.db2.gz NFAUWKJBDXIXPT-OAHLLOKOSA-N 1 0 322.474 3.013 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000415579780 527259285 /nfs/dbraw/zinc/25/92/85/527259285.db2.gz KPZBPJYCCHENGD-CZUORRHYSA-N 1 0 301.434 3.349 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000415589363 527259646 /nfs/dbraw/zinc/25/96/46/527259646.db2.gz YTPFVPRJRAQDOW-OAHLLOKOSA-N 1 0 301.434 3.494 10 30 DGEERO C=CCn1c(CCC(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000337856347 527316128 /nfs/dbraw/zinc/31/61/28/527316128.db2.gz LPJJHTHKWSMNBN-UHFFFAOYSA-N 1 0 319.497 3.020 10 30 DGEERO C=CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccccc1 ZINC000358850335 527342057 /nfs/dbraw/zinc/34/20/57/527342057.db2.gz AAEMGZCQSASHQW-ZDUSSCGKSA-N 1 0 302.447 3.173 10 30 DGEERO C=CCCO[C@@H](C)C(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000345904068 527370983 /nfs/dbraw/zinc/37/09/83/527370983.db2.gz JVNAMDQEKKGNSI-KRWDZBQOSA-N 1 0 310.482 3.081 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000424295166 527499179 /nfs/dbraw/zinc/49/91/79/527499179.db2.gz MIENKHSGVGHQQP-JHNDHUHGSA-N 1 0 319.445 3.377 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000424289564 527499328 /nfs/dbraw/zinc/49/93/28/527499328.db2.gz KCKSQPCDHNJKRD-XHSDSOJGSA-N 1 0 305.418 3.336 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444698653 527625645 /nfs/dbraw/zinc/62/56/45/527625645.db2.gz CYHYIWNEXOJEMY-QGZVFWFLSA-N 1 0 300.446 3.324 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1nc(C)sc1C)C(C)C ZINC000337401616 527649948 /nfs/dbraw/zinc/64/99/48/527649948.db2.gz RDHOAAIFWLJDIH-OAHLLOKOSA-N 1 0 321.490 3.188 10 30 DGEERO CC[NH+](CC)CCCCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180393921 528098728 /nfs/dbraw/zinc/09/87/28/528098728.db2.gz ZIXJVVOJHQEWKC-UHFFFAOYSA-N 1 0 313.445 3.094 10 30 DGEERO CCCCCCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000157938311 528133102 /nfs/dbraw/zinc/13/31/02/528133102.db2.gz YABVUYDWRPHMSY-IBGZPJMESA-N 1 0 304.478 3.308 10 30 DGEERO CC[N@@H+]1CCC[C@@H](Nc2cccc(Br)c2C#N)C1 ZINC000168495345 529059654 /nfs/dbraw/zinc/05/96/54/529059654.db2.gz KYRGRUVHIZDSQR-LLVKDONJSA-N 1 0 308.223 3.217 10 30 DGEERO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000180722829 546147978 /nfs/dbraw/zinc/14/79/78/546147978.db2.gz XBAOXPMDIVEVBU-GFCCVEGCSA-N 1 0 310.800 3.330 10 30 DGEERO C=CCOCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000379727265 546736184 /nfs/dbraw/zinc/73/61/84/546736184.db2.gz XLWMKKMXSBZVGC-JTQLQIEISA-N 1 0 302.187 3.441 10 30 DGEERO C#Cc1cccc(NC(=S)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000730731943 574535022 /nfs/dbraw/zinc/53/50/22/574535022.db2.gz SMUMKUFUUZNFMV-GASCZTMLSA-N 1 0 315.486 3.217 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000733327651 574616381 /nfs/dbraw/zinc/61/63/81/574616381.db2.gz ALSQZFDVJRDTDO-CALCHBBNSA-N 1 0 300.446 3.051 10 30 DGEERO Cc1cc(C)nc(N=NC2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000734363340 574657871 /nfs/dbraw/zinc/65/78/71/574657871.db2.gz ZABPQBYJGOAEMY-CQSZACIVSA-N 1 0 323.444 3.403 10 30 DGEERO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCOC1 ZINC000735310064 574697003 /nfs/dbraw/zinc/69/70/03/574697003.db2.gz YXHKQSBBIDWJDB-ZDUSSCGKSA-N 1 0 308.809 3.101 10 30 DGEERO CCCC[N@H+](CCOC)Cc1cc(Cl)ccc1OCC#N ZINC000735309965 574697070 /nfs/dbraw/zinc/69/70/70/574697070.db2.gz XMIRBGYDNJCMOM-UHFFFAOYSA-N 1 0 310.825 3.491 10 30 DGEERO CCOC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311472 574697150 /nfs/dbraw/zinc/69/71/50/574697150.db2.gz QNHVIIJBDJKSCX-CQSZACIVSA-N 1 0 322.836 3.491 10 30 DGEERO C=C(C)CNC(=S)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000741500520 574960183 /nfs/dbraw/zinc/96/01/83/574960183.db2.gz ZCGFKRLGXUNTSS-ZFWWWQNUSA-N 1 0 323.531 3.171 10 30 DGEERO CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779155 574970123 /nfs/dbraw/zinc/97/01/23/574970123.db2.gz QOBJQAIMLDTONM-HOTGVXAUSA-N 1 0 306.450 3.121 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@](C)(O)c1cc(C)oc1C ZINC000742374186 574993595 /nfs/dbraw/zinc/99/35/95/574993595.db2.gz LRQFJLYOPGTDJP-IBGZPJMESA-N 1 0 315.413 3.459 10 30 DGEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C(/C)c1ccccc1Cl ZINC000729812181 575263823 /nfs/dbraw/zinc/26/38/23/575263823.db2.gz OGJBEKCVIOGCTM-IKESIWSLSA-N 1 0 317.816 3.384 10 30 DGEERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000223977229 618626293 /nfs/dbraw/zinc/62/62/93/618626293.db2.gz GODSWTNKNSVMMI-LVQVYYBASA-N 1 0 321.465 3.446 10 30 DGEERO N#Cc1cc(-c2cncc([C@@H]3OCC[C@H]3[NH3+])c2)ccc1C1CC1 ZINC000906198772 620074988 /nfs/dbraw/zinc/07/49/88/620074988.db2.gz JCKYPWOGHLGGGM-MOPGFXCFSA-N 1 0 305.381 3.286 10 30 DGEERO C=CCc1cc(OCC)cc(C[N@H+](C)C[C@@H]2CCCO2)c1O ZINC000151719465 620472096 /nfs/dbraw/zinc/47/20/96/620472096.db2.gz VJYYAHHSTHNNDU-INIZCTEOSA-N 1 0 305.418 3.130 10 30 DGEERO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000122916653 622428589 /nfs/dbraw/zinc/42/85/89/622428589.db2.gz IRUVKSZRCJCVKS-GOSISDBHSA-N 1 0 323.440 3.295 10 30 DGEERO CC[C@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000131048424 625937340 /nfs/dbraw/zinc/93/73/40/625937340.db2.gz NDGSEPDROQYJNL-HNNXBMFYSA-N 1 0 309.417 3.205 10 30 DGEERO CCOc1cc(C)ccc1CNC(=[NH2+])NCCc1cccs1 ZINC000134067612 626852940 /nfs/dbraw/zinc/85/29/40/626852940.db2.gz LUWRUBOHOIPBAH-UHFFFAOYSA-N 1 0 317.458 3.102 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCCOCCc2ccccc2)c1 ZINC000104176190 627411709 /nfs/dbraw/zinc/41/17/09/627411709.db2.gz ZFIPZKUTJOFUNQ-UHFFFAOYSA-N 1 0 311.429 3.371 10 30 DGEERO Cc1cc(C)cc(NC(=[NH2+])NCCCc2nc(C(C)C)no2)c1 ZINC000104178995 627412226 /nfs/dbraw/zinc/41/22/26/627412226.db2.gz UMZOHBWIMUYQCE-UHFFFAOYSA-N 1 0 315.421 3.169 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C(C)(C)c1cccs1 ZINC000121403097 629911853 /nfs/dbraw/zinc/91/18/53/629911853.db2.gz OTEYRKJPFQZIDR-CQSZACIVSA-N 1 0 307.459 3.303 10 30 DGEERO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C ZINC000700731834 660634321 /nfs/dbraw/zinc/63/43/21/660634321.db2.gz JJWIHEMEHPPPJL-CJNGLKHVSA-N 1 0 315.417 3.046 10 30 DGEERO C#C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000702235840 660716828 /nfs/dbraw/zinc/71/68/28/660716828.db2.gz FFEIEMOIWVXSRW-GJZGRUSLSA-N 1 0 308.466 3.271 10 30 DGEERO C#C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000702235839 660717011 /nfs/dbraw/zinc/71/70/11/660717011.db2.gz FFEIEMOIWVXSRW-CABCVRRESA-N 1 0 308.466 3.271 10 30 DGEERO C#C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(C)C ZINC000707914860 660915315 /nfs/dbraw/zinc/91/53/15/660915315.db2.gz CRZWHIORRPIERQ-VGWMRTNUSA-N 1 0 306.450 3.022 10 30 DGEERO C#CCCC[NH2+][C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000709393746 660928073 /nfs/dbraw/zinc/92/80/73/660928073.db2.gz VMAQYMWZRVZCRQ-FZKCQIBNSA-N 1 0 306.450 3.166 10 30 DGEERO CCOc1ccc(O)c(/C=N\C2CCC(C[NH+](C)C)CC2)c1 ZINC000255296565 655689193 /nfs/dbraw/zinc/68/91/93/655689193.db2.gz GHGQQDLVTAPWKK-UNOMPAQXSA-N 1 0 304.434 3.330 10 30 DGEERO C[C@](O)(C[NH2+][C@@H]1CCCC(F)(F)C1)C(F)(F)C(F)(F)F ZINC000724107328 655742056 /nfs/dbraw/zinc/74/20/56/655742056.db2.gz ZQUQXUGFAYBLEA-SFYZADRCSA-N 1 0 311.241 3.103 10 30 DGEERO C#CC[N@@H+](Cc1cc(=O)oc2c(C)c(O)ccc12)C1CCCC1 ZINC000155786798 655760708 /nfs/dbraw/zinc/76/07/08/655760708.db2.gz OWZPVOMTPLZQSK-UHFFFAOYSA-N 1 0 311.381 3.185 10 30 DGEERO N#CCOc1ccc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000178622745 655787623 /nfs/dbraw/zinc/78/76/23/655787623.db2.gz MFXRGPVFBWDJGP-UHFFFAOYSA-N 1 0 318.380 3.269 10 30 DGEERO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712434507 661188541 /nfs/dbraw/zinc/18/85/41/661188541.db2.gz LVOMUAZCDUGXAQ-WCQYABFASA-N 1 0 312.255 3.407 10 30 DGEERO [NH2+]=C(NCc1ccn(C2CCCC2)n1)Nc1cc(F)ccc1F ZINC000262284851 655812021 /nfs/dbraw/zinc/81/20/21/655812021.db2.gz MBCYDALPLDVTBM-UHFFFAOYSA-N 1 0 319.359 3.203 10 30 DGEERO C[N@H+](CCCOC(=O)c1cc(C#N)cs1)Cc1ccccc1 ZINC000177195978 655916976 /nfs/dbraw/zinc/91/69/76/655916976.db2.gz RRSSXENMDRUHGR-UHFFFAOYSA-N 1 0 314.410 3.299 10 30 DGEERO COc1cccc(NC(=[NH2+])NCCCc2cccc(F)c2)c1 ZINC000178571360 656928213 /nfs/dbraw/zinc/92/82/13/656928213.db2.gz JQBHYZNJBQMZTQ-UHFFFAOYSA-N 1 0 301.365 3.194 10 30 DGEERO C=C(Cl)CNC(N[C@@H]1CC(C)(C)Oc2ccccc21)=[NH+]C ZINC000262018551 657290768 /nfs/dbraw/zinc/29/07/68/657290768.db2.gz YIVGEONIGSOCJI-CYBMUJFWSA-N 1 0 307.825 3.206 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccc3c(c2)OCCCO3)c1 ZINC000303891312 657573518 /nfs/dbraw/zinc/57/35/18/657573518.db2.gz QPLAYKAZSCUVDY-UHFFFAOYSA-N 1 0 311.385 3.083 10 30 DGEERO COc1cccc(NC(=[NH2+])NCc2ccc(SC)cc2)c1 ZINC000303890414 657573654 /nfs/dbraw/zinc/57/36/54/657573654.db2.gz QCSSSCWUZPATQR-UHFFFAOYSA-N 1 0 301.415 3.344 10 30 DGEERO CC(C)Oc1ccc(CCNC(=[NH2+])NC2CCCCC2)cc1 ZINC000303896668 657575212 /nfs/dbraw/zinc/57/52/12/657575212.db2.gz QCNSUESXIWVWOP-UHFFFAOYSA-N 1 0 303.450 3.253 10 30 DGEERO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCC(C)(C)O2)cc1 ZINC000262461097 657586321 /nfs/dbraw/zinc/58/63/21/657586321.db2.gz VVUBGRRZCDXCGP-OAHLLOKOSA-N 1 0 305.422 3.158 10 30 DGEERO [NH2+]=C(NC/C=C/c1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000304747393 657646212 /nfs/dbraw/zinc/64/62/12/657646212.db2.gz GJIFCZHNOREPSU-XBXARRHUSA-N 1 0 323.396 3.288 10 30 DGEERO C=CCc1cc(OCC)cc(C[N@@H+]2CCCSCC2)c1O ZINC000098051529 657793870 /nfs/dbraw/zinc/79/38/70/657793870.db2.gz MTLYORJJHPSXGV-UHFFFAOYSA-N 1 0 307.459 3.458 10 30 DGEERO CN1CCC[NH+]=C1NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000263171897 658168761 /nfs/dbraw/zinc/16/87/61/658168761.db2.gz SESDGBOKJZXLIV-GXFFZTMASA-N 1 0 312.244 3.378 10 30 DGEERO CC[NH+]=C(NCc1sc(C)nc1C)N[C@H](C)c1ccc(C)o1 ZINC000089018465 658643650 /nfs/dbraw/zinc/64/36/50/658643650.db2.gz WXZYOYXBSNVGBG-LLVKDONJSA-N 1 0 320.462 3.478 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1 ZINC000157765992 659095846 /nfs/dbraw/zinc/09/58/46/659095846.db2.gz UPUMBMWXOOXNBZ-IBGZPJMESA-N 1 0 315.388 3.388 10 30 DGEERO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000188777035 661944580 /nfs/dbraw/zinc/94/45/80/661944580.db2.gz VDWBZGFHSZLLFZ-ZIAGYGMSSA-N 1 0 311.385 3.404 10 30 DGEERO C#CCOc1ccccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812759 662336110 /nfs/dbraw/zinc/33/61/10/662336110.db2.gz PJRCTNLSHMJKBH-QGZVFWFLSA-N 1 0 321.424 3.028 10 30 DGEERO C[N@@H+]1CCCC[C@@H]1CNc1cc(Br)ccc1C#N ZINC000123210880 1199379195 /nfs/dbraw/zinc/37/91/95/1199379195.db2.gz LGVRFAHTKKLFOM-CYBMUJFWSA-N 1 0 308.223 3.217 10 30 DGEERO C=CCCC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429167227 1199823747 /nfs/dbraw/zinc/82/37/47/1199823747.db2.gz KUDCJASGCOHTQF-JKSUJKDBSA-N 1 0 307.821 3.495 10 30 DGEERO C=CCC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000320772120 1199848752 /nfs/dbraw/zinc/84/87/52/1199848752.db2.gz QBZGGBNOOGAKDQ-GFCCVEGCSA-N 1 0 305.752 3.358 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC000153878560 1202596937 /nfs/dbraw/zinc/59/69/37/1202596937.db2.gz DLXZTLYSEBAESS-OLMNPRSZSA-N 1 0 317.429 3.163 10 30 DGEERO C[C@H]1C[C@@H](Nc2cc(Br)ccc2C#N)C[N@@H+]1C1CC1 ZINC000235735261 1202604643 /nfs/dbraw/zinc/60/46/43/1202604643.db2.gz DPTREDQAMXMOSI-GXFFZTMASA-N 1 0 320.234 3.358 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc(N(CC)CC)cc2)CC1 ZINC000236914804 1202635143 /nfs/dbraw/zinc/63/51/43/1202635143.db2.gz OLGMUPGERAAELB-UHFFFAOYSA-N 1 0 301.478 3.273 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000237727577 1202692232 /nfs/dbraw/zinc/69/22/32/1202692232.db2.gz FZZHBQLTINBLIY-UHFFFAOYSA-N 1 0 314.351 3.325 10 30 DGEERO C[C@H](Cc1ccsc1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000246068391 1203707909 /nfs/dbraw/zinc/70/79/09/1203707909.db2.gz RVWICCHRAKLVOK-CXAGYDPISA-N 1 0 300.427 3.216 10 30 DGEERO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000029415322 717119417 /nfs/dbraw/zinc/11/94/17/717119417.db2.gz DFCXKIFRBUYLET-CABCVRRESA-O 1 0 319.469 3.280 10 30 DGEERO C#CCCC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000176608682 1088197783 /nfs/dbraw/zinc/19/77/83/1088197783.db2.gz QSEBOZHWZIKKKX-UHFFFAOYSA-N 1 0 314.429 3.487 10 30 DGEERO C[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000402219734 1093992372 /nfs/dbraw/zinc/99/23/72/1093992372.db2.gz QURUPCZVVYRRJP-AWEZNQCLSA-N 1 0 306.818 3.439 10 30 DGEERO CC[C@H](CC#N)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405307245 1094331278 /nfs/dbraw/zinc/33/12/78/1094331278.db2.gz MVDQFRFRDVAHKD-RDBSUJKOSA-N 1 0 307.438 3.104 10 30 DGEERO C=C(CC)C[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000720771738 1095776201 /nfs/dbraw/zinc/77/62/01/1095776201.db2.gz FYEKMLOJHVIJMT-KRWDZBQOSA-N 1 0 302.418 3.343 10 30 DGEERO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C ZINC000386184593 1108439391 /nfs/dbraw/zinc/43/93/91/1108439391.db2.gz YOJXGJGSHFNWJD-HRCADAONSA-N 1 0 308.466 3.412 10 30 DGEERO C=CCC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)C1CC1 ZINC000278531973 214217111 /nfs/dbraw/zinc/21/71/11/214217111.db2.gz UFUMBZXXFDLECP-SJORKVTESA-N 1 0 302.466 3.032 10 30 DGEERO CC[NH+](CC)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000078835022 185118321 /nfs/dbraw/zinc/11/83/21/185118321.db2.gz ZCMOIYAUFYJNAQ-SNVBAGLBSA-N 1 0 300.328 3.114 10 30 DGEERO CC[C@@](C)(C#N)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000354831719 529489508 /nfs/dbraw/zinc/48/95/08/529489508.db2.gz ZOGIITSUYNKTMP-OALUTQOASA-N 1 0 313.445 3.097 10 30 DGEERO CCc1ccc(C)[n+]([C@@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000160080299 529617729 /nfs/dbraw/zinc/61/77/29/529617729.db2.gz XNQZGDYOILJFMP-GOSISDBHSA-N 1 0 313.396 3.352 10 30 DGEERO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000088755511 185263971 /nfs/dbraw/zinc/26/39/71/185263971.db2.gz FOBWMCJCKMSXDE-OAHLLOKOSA-N 1 0 313.351 3.205 10 30 DGEERO CC[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000184043297 529682352 /nfs/dbraw/zinc/68/23/52/529682352.db2.gz ZMGCHBOOBQUTHF-CQSZACIVSA-N 1 0 319.474 3.474 10 30 DGEERO C=CCOc1ccccc1CNC1CC[NH+](CC(=C)C)CC1 ZINC000106246192 432020876 /nfs/dbraw/zinc/02/08/76/432020876.db2.gz PPKRVUIADUIUOW-UHFFFAOYSA-N 1 0 300.446 3.382 10 30 DGEERO CC(C)[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc2c(c1)OCCO2 ZINC000174247472 198310067 /nfs/dbraw/zinc/31/00/67/198310067.db2.gz KGEYKWRYLJBGPE-SFHVURJKSA-N 1 0 312.369 3.409 10 30 DGEERO N#Cc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000174296714 198315992 /nfs/dbraw/zinc/31/59/92/198315992.db2.gz YUHAHZUPTMYOQC-SFHVURJKSA-N 1 0 310.353 3.163 10 30 DGEERO N#CC1(NC(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)CCCCC1 ZINC000114494862 283047861 /nfs/dbraw/zinc/04/78/61/283047861.db2.gz QMGIFBFIKQGPMK-GOSISDBHSA-N 1 0 315.461 3.151 10 30 DGEERO C[NH+](C)[C@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000170844104 432084006 /nfs/dbraw/zinc/08/40/06/432084006.db2.gz KELPDIBQEWSRRE-NSHDSACASA-N 1 0 318.783 3.039 10 30 DGEERO C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1c1csc(C)n1 ZINC000189841938 432096066 /nfs/dbraw/zinc/09/60/66/432096066.db2.gz AJOULFDQFMGRDY-OAHLLOKOSA-N 1 0 307.463 3.013 10 30 DGEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000246113967 432097184 /nfs/dbraw/zinc/09/71/84/432097184.db2.gz XXBIJOVGICXEAE-YLJYHZDGSA-N 1 0 324.399 3.295 10 30 DGEERO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000275482059 212363406 /nfs/dbraw/zinc/36/34/06/212363406.db2.gz BAVJGQJEOJPNOA-LJQANCHMSA-N 1 0 320.440 3.444 10 30 DGEERO C=CCC[C@H](CO)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000449699454 240375959 /nfs/dbraw/zinc/37/59/59/240375959.db2.gz QVVZUBBUHGCLFI-UONOGXRCSA-N 1 0 324.262 3.223 10 30 DGEERO CCN(CCC#N)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021683 183329576 /nfs/dbraw/zinc/32/95/76/183329576.db2.gz MUOKEGVDFSLJBO-RISCZKNCSA-N 1 0 310.239 3.073 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)C[C@@H](C)C#N ZINC000043021699 183329774 /nfs/dbraw/zinc/32/97/74/183329774.db2.gz TXCPLUJAQVGLDQ-TUKIKUTGSA-N 1 0 324.266 3.319 10 30 DGEERO N#Cc1ccc(O[C@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000043022672 183330348 /nfs/dbraw/zinc/33/03/48/183330348.db2.gz DPAWYGHBVYNSFG-OAHLLOKOSA-N 1 0 317.186 3.400 10 30 DGEERO N#Cc1cccc(O[C@H](C[NH3+])c2ccccc2Br)c1 ZINC000043094848 183337284 /nfs/dbraw/zinc/33/72/84/183337284.db2.gz IVJKKPJNZLDCMH-OAHLLOKOSA-N 1 0 317.186 3.400 10 30 DGEERO N#Cc1cc(Cl)ccc1NCCC[NH2+]Cc1cccnc1 ZINC000063197203 184277976 /nfs/dbraw/zinc/27/79/76/184277976.db2.gz WGZWJRLEEWYDAJ-UHFFFAOYSA-N 1 0 300.793 3.198 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)[C@@H](C)CC#N ZINC000063085420 184269926 /nfs/dbraw/zinc/26/99/26/184269926.db2.gz UVWXHOGTQOYYJK-NILFDRSVSA-N 1 0 324.266 3.461 10 30 DGEERO Cc1ccc(C#N)cc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000119653363 195010759 /nfs/dbraw/zinc/01/07/59/195010759.db2.gz MAUYSPAEFWAYEC-GOSISDBHSA-N 1 0 322.412 3.291 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120175261 195111682 /nfs/dbraw/zinc/11/16/82/195111682.db2.gz IEBBCOWHHWOGCK-MRXNPFEDSA-N 1 0 312.392 3.293 10 30 DGEERO CC[N@H+](CCc1nccs1)Cc1cn2ccccc2c1C#N ZINC000159302196 197343661 /nfs/dbraw/zinc/34/36/61/197343661.db2.gz RPILLKMNIKMGRX-UHFFFAOYSA-N 1 0 310.426 3.332 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157571721 197199101 /nfs/dbraw/zinc/19/91/01/197199101.db2.gz RTJBGALAGOHJCE-AWEZNQCLSA-N 1 0 320.481 3.022 10 30 DGEERO C=CCSc1ccccc1NC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000271604089 209050744 /nfs/dbraw/zinc/05/07/44/209050744.db2.gz IZTJZIWHIXFYAA-UHFFFAOYSA-N 1 0 322.474 3.042 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000581888213 400083243 /nfs/dbraw/zinc/08/32/43/400083243.db2.gz VUOYDRDIGGQKKC-QFBILLFUSA-N 1 0 300.446 3.370 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000581864002 400083356 /nfs/dbraw/zinc/08/33/56/400083356.db2.gz ZWIDWFCIABFGRQ-QGZVFWFLSA-N 1 0 302.462 3.282 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000091509445 400125743 /nfs/dbraw/zinc/12/57/43/400125743.db2.gz CJOKKSZSBVGPHB-CQSZACIVSA-N 1 0 304.434 3.399 10 30 DGEERO C=CCCC1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCC1 ZINC000600744028 400141850 /nfs/dbraw/zinc/14/18/50/400141850.db2.gz AAMLPVPXOBCYNL-QGZVFWFLSA-N 1 0 320.477 3.174 10 30 DGEERO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3C3CC3)CC2)nc1 ZINC000585794102 400141902 /nfs/dbraw/zinc/14/19/02/400141902.db2.gz DUTUVEYLUWRAMG-OALUTQOASA-N 1 0 324.472 3.480 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1 ZINC000092095342 400153264 /nfs/dbraw/zinc/15/32/64/400153264.db2.gz SLUMQJVXUJQHFN-IPMKNSEASA-N 1 0 317.429 3.020 10 30 DGEERO C=CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617009013 400271283 /nfs/dbraw/zinc/27/12/83/400271283.db2.gz QGJZKXIHXGDLKK-DLBZAZTESA-N 1 0 300.446 3.335 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000093870212 400261170 /nfs/dbraw/zinc/26/11/70/400261170.db2.gz KEPMHACEUHVKSK-INIZCTEOSA-N 1 0 311.429 3.050 10 30 DGEERO COC(=O)C(C)(C)[C@H]([NH2+]CCCSCC#N)c1ccccc1 ZINC000611405775 400394653 /nfs/dbraw/zinc/39/46/53/400394653.db2.gz QEONUKUCTPYTQH-OAHLLOKOSA-N 1 0 320.458 3.163 10 30 DGEERO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](CO)c1ccccc1 ZINC000611393989 400392698 /nfs/dbraw/zinc/39/26/98/400392698.db2.gz WBCHNTLLMOJWLZ-UYAOXDASSA-N 1 0 306.409 3.301 10 30 DGEERO COC(=O)C(C)(C)[C@@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000611463006 400404412 /nfs/dbraw/zinc/40/44/12/400404412.db2.gz YQXRHJULBSOSSB-HNNXBMFYSA-N 1 0 302.418 3.456 10 30 DGEERO C=CCOCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611559883 400421228 /nfs/dbraw/zinc/42/12/28/400421228.db2.gz FZBPBKYWRYZIDP-HOCLYGCPSA-N 1 0 304.390 3.098 10 30 DGEERO C=CCOCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611559906 400421511 /nfs/dbraw/zinc/42/15/11/400421511.db2.gz KQVPIGWQFHAJGN-GOSISDBHSA-N 1 0 312.369 3.476 10 30 DGEERO C=CCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611543937 400419044 /nfs/dbraw/zinc/41/90/44/400419044.db2.gz SEJPGYFHGOPORY-UHFFFAOYSA-N 1 0 302.330 3.147 10 30 DGEERO C=CC[NH+]1CCC(Nc2ccc(C(=O)OC(C)(C)C)cn2)CC1 ZINC000591912652 400577619 /nfs/dbraw/zinc/57/76/19/400577619.db2.gz QITNPLCNXUGDMD-UHFFFAOYSA-N 1 0 317.433 3.099 10 30 DGEERO Cn1ccnc1C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000618569932 400625947 /nfs/dbraw/zinc/62/59/47/400625947.db2.gz HXEHDUHMQUULSB-NXHRZFHOSA-N 1 0 308.429 3.376 10 30 DGEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000076574492 400661725 /nfs/dbraw/zinc/66/17/25/400661725.db2.gz FOMHADWWZOFUKW-HZPDHXFCSA-N 1 0 315.461 3.469 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000151845151 400676911 /nfs/dbraw/zinc/67/69/11/400676911.db2.gz GAZWQKIGQSMTIR-GOSISDBHSA-N 1 0 315.461 3.431 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@](C)(O)CCC(C)C)cc(OC)c1O ZINC000077455781 400717993 /nfs/dbraw/zinc/71/79/93/400717993.db2.gz JSEFIEACRKXIRX-LJQANCHMSA-N 1 0 321.461 3.406 10 30 DGEERO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000633433302 400950009 /nfs/dbraw/zinc/95/00/09/400950009.db2.gz GAEYXAHBPMDINS-FGTMMUONSA-N 1 0 300.446 3.020 10 30 DGEERO CC(C)[N@@H+]1CCc2nc(/C=C\c3ccc(C#N)cn3)sc2C1 ZINC000606441643 400913410 /nfs/dbraw/zinc/91/34/10/400913410.db2.gz HPCDCRBSRVOTSO-WAYWQWQTSA-N 1 0 310.426 3.347 10 30 DGEERO C=CCOc1ccccc1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000593875522 400918108 /nfs/dbraw/zinc/91/81/08/400918108.db2.gz MWFWLBZTZWAOPR-IYBDPMFKSA-N 1 0 316.445 3.244 10 30 DGEERO C#C[C@@H]([NH2+]C)c1cc(Br)cc(Br)c1 ZINC000234448381 400974260 /nfs/dbraw/zinc/97/42/60/400974260.db2.gz WYHDWIJAURGTTG-SNVBAGLBSA-N 1 0 302.997 3.105 10 30 DGEERO C=CC[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000614964874 400975919 /nfs/dbraw/zinc/97/59/19/400975919.db2.gz DIKKOORVIXFCCN-SFHVURJKSA-N 1 0 312.457 3.291 10 30 DGEERO C=CCCC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000633966510 401169228 /nfs/dbraw/zinc/16/92/28/401169228.db2.gz NPMNMKBGOFLMGQ-MRXNPFEDSA-N 1 0 324.534 3.313 10 30 DGEERO C=C(C)CN1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594919955 401189263 /nfs/dbraw/zinc/18/92/63/401189263.db2.gz KYPVITGSQSIHHD-UHFFFAOYSA-N 1 0 309.457 3.372 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600179895 401211736 /nfs/dbraw/zinc/21/17/36/401211736.db2.gz XEOIWOHRCVUBNG-GDBMZVCRSA-N 1 0 302.418 3.483 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625784013 401216666 /nfs/dbraw/zinc/21/66/66/401216666.db2.gz BTXBTVAXWNPVFB-CRAIPNDOSA-N 1 0 315.461 3.326 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)c2cc(C)n([C@H](C)COC)c2C)C1 ZINC000625702891 401185570 /nfs/dbraw/zinc/18/55/70/401185570.db2.gz JNPWPNVEOKRJFY-WBVHZDCISA-N 1 0 318.461 3.393 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2CC)C1 ZINC000625702843 401185766 /nfs/dbraw/zinc/18/57/66/401185766.db2.gz JFJBWWNFESBKGU-ZBFHGGJFSA-N 1 0 318.486 3.482 10 30 DGEERO C=CCn1c([C@H](C)CC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634342041 401266785 /nfs/dbraw/zinc/26/67/85/401266785.db2.gz XKIKOPATZFGQLW-OAHLLOKOSA-N 1 0 319.497 3.288 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000630860744 401343703 /nfs/dbraw/zinc/34/37/03/401343703.db2.gz PIQKVDVAHJYODP-HNNXBMFYSA-N 1 0 318.486 3.433 10 30 DGEERO C=CC[C@H]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000627083773 401440755 /nfs/dbraw/zinc/44/07/55/401440755.db2.gz ZDTBZMLHPYMZQX-HNAYVOBHSA-N 1 0 323.440 3.447 10 30 DGEERO C=CC[C@H]1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000627083774 401440838 /nfs/dbraw/zinc/44/08/38/401440838.db2.gz ZDTBZMLHPYMZQX-KXBFYZLASA-N 1 0 323.440 3.447 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000627120972 401446729 /nfs/dbraw/zinc/44/67/29/401446729.db2.gz KVMOZIGFPIOIRJ-INIZCTEOSA-N 1 0 307.482 3.010 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCN(C)C2)cc1OC ZINC000623372352 401502348 /nfs/dbraw/zinc/50/23/48/401502348.db2.gz QGEGQXAPXAMAQG-CQSZACIVSA-N 1 0 324.852 3.097 10 30 DGEERO C=C1CC(C)(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000631595524 401509253 /nfs/dbraw/zinc/50/92/53/401509253.db2.gz BUKXUNWIIOGXIZ-KRWDZBQOSA-N 1 0 312.457 3.466 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000631597641 401510225 /nfs/dbraw/zinc/51/02/25/401510225.db2.gz UXOMPCVQGVKWDD-HNNXBMFYSA-N 1 0 306.837 3.415 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000623466738 401524614 /nfs/dbraw/zinc/52/46/14/401524614.db2.gz KHYFUYJXRNLRQG-OKZBNKHCSA-N 1 0 321.509 3.352 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000623494154 401531950 /nfs/dbraw/zinc/53/19/50/401531950.db2.gz DMNAVERQGGIQIB-HOTGVXAUSA-N 1 0 307.482 3.105 10 30 DGEERO C=CCOc1c(Cl)cc(C[N@@H+]2CCC3(COC3)C2)cc1OC ZINC000628351484 401581663 /nfs/dbraw/zinc/58/16/63/401581663.db2.gz GPEDFXTYNNAGCL-UHFFFAOYSA-N 1 0 323.820 3.136 10 30 DGEERO C=CCC[C@H](CC)[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000624102076 401626318 /nfs/dbraw/zinc/62/63/18/401626318.db2.gz JZUAKICYOVBYLM-AWEZNQCLSA-N 1 0 305.409 3.278 10 30 DGEERO C=CCOc1cccc(NC(=O)NC2(C[NH3+])CCCCC2)c1 ZINC000632906927 401637289 /nfs/dbraw/zinc/63/72/89/401637289.db2.gz PHZIMYKMFPWXIT-UHFFFAOYSA-N 1 0 303.406 3.035 10 30 DGEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000624205592 401639013 /nfs/dbraw/zinc/63/90/13/401639013.db2.gz IGDAJUYJIQILTM-GJZGRUSLSA-N 1 0 300.402 3.356 10 30 DGEERO C=CCOCC[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623957569 401605143 /nfs/dbraw/zinc/60/51/43/401605143.db2.gz NKIDXGZRZFBUTM-JTQLQIEISA-N 1 0 322.758 3.477 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000624038155 401616581 /nfs/dbraw/zinc/61/65/81/401616581.db2.gz TVYMMZOSPOUIMO-ZDUSSCGKSA-N 1 0 310.463 3.311 10 30 DGEERO C=C1CC(C)(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000632701596 401620390 /nfs/dbraw/zinc/62/03/90/401620390.db2.gz LTHZCNIKSFJLSW-WBVHZDCISA-N 1 0 300.446 3.459 10 30 DGEERO C=CC(C)(C)CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000624394551 401657685 /nfs/dbraw/zinc/65/76/85/401657685.db2.gz JREKCIGJDYWGPV-UHFFFAOYSA-N 1 0 307.482 3.010 10 30 DGEERO CCc1nnc(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)[nH]1 ZINC000190664493 165211477 /nfs/dbraw/zinc/21/14/77/165211477.db2.gz SGZAVDJZGPDBNI-ZDUSSCGKSA-N 1 0 309.417 3.179 10 30 DGEERO CCn1cc(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cn1 ZINC000191978368 165276598 /nfs/dbraw/zinc/27/65/98/165276598.db2.gz LQYQARHQECUODX-UHFFFAOYSA-N 1 0 312.392 3.293 10 30 DGEERO N#Cc1ccc(OCC[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000192367155 165290635 /nfs/dbraw/zinc/29/06/35/165290635.db2.gz KFXLYZVVUCYZEJ-GOSISDBHSA-N 1 0 308.381 3.310 10 30 DGEERO Cc1ccc([C@@H]2CCCCN2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000246780850 432165212 /nfs/dbraw/zinc/16/52/12/432165212.db2.gz OOIQGQBHXRURBF-MAUKXSAKSA-N 1 0 317.433 3.170 10 30 DGEERO C[C@H]([NH2+]CCCSCC#N)c1cccc(-n2ccnc2)c1 ZINC000180646695 228357627 /nfs/dbraw/zinc/35/76/27/228357627.db2.gz YIXYKRJRUISMFA-AWEZNQCLSA-N 1 0 300.431 3.170 10 30 DGEERO N#CCCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181285382 228360980 /nfs/dbraw/zinc/36/09/80/228360980.db2.gz PXTIBJHRDWXYHG-MRXNPFEDSA-N 1 0 309.417 3.345 10 30 DGEERO N#Cc1cc(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)ccc1F ZINC000299753757 229398834 /nfs/dbraw/zinc/39/88/34/229398834.db2.gz ZFUIZGPHJOLNDX-MRXNPFEDSA-N 1 0 324.403 3.220 10 30 DGEERO Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)c(C#N)c(C)n1 ZINC000301790483 229896323 /nfs/dbraw/zinc/89/63/23/229896323.db2.gz QOEKLJXRZXSJAN-UHFFFAOYSA-N 1 0 321.428 3.042 10 30 DGEERO Cc1ccc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)nc1C#N ZINC000302609493 230316848 /nfs/dbraw/zinc/31/68/48/230316848.db2.gz DTWVBVQGHSTYPE-CYBMUJFWSA-N 1 0 312.442 3.182 10 30 DGEERO C=CCC[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247434647 432230262 /nfs/dbraw/zinc/23/02/62/432230262.db2.gz NYESCJCVKDUHJH-IXDOHACOSA-N 1 0 307.434 3.275 10 30 DGEERO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(C#N)cc1F ZINC000358578740 266961715 /nfs/dbraw/zinc/96/17/15/266961715.db2.gz WKQDEDSOCWWSLG-CYBMUJFWSA-N 1 0 301.409 3.365 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882978 432237976 /nfs/dbraw/zinc/23/79/76/432237976.db2.gz CDFRKFGOQVQCKB-JKSUJKDBSA-N 1 0 307.482 3.247 10 30 DGEERO C=CCN1CCC([NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000177909062 277857557 /nfs/dbraw/zinc/85/75/57/277857557.db2.gz CPZJAVCZNRPBPS-GOSISDBHSA-N 1 0 300.446 3.449 10 30 DGEERO C=CCC[C@@H](C[N@@H+](C)Cc1cnccn1)Oc1ccc(C#N)cc1 ZINC000072426506 431335589 /nfs/dbraw/zinc/33/55/89/431335589.db2.gz GAGSIZPRQXAQGQ-IBGZPJMESA-N 1 0 322.412 3.194 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H](CN(C)C)c2ccccc2)cc1 ZINC000113315798 431341843 /nfs/dbraw/zinc/34/18/43/431341843.db2.gz AGIHDCRFWHLDJQ-FQEVSTJZSA-N 1 0 308.425 3.091 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000076733976 431561011 /nfs/dbraw/zinc/56/10/11/431561011.db2.gz DFPASCMTQGPUKZ-UHFFFAOYSA-N 1 0 300.855 3.258 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000121053946 431739677 /nfs/dbraw/zinc/73/96/77/431739677.db2.gz VDVJQKRTNLYSJX-UHFFFAOYSA-N 1 0 305.403 3.240 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121110511 431742660 /nfs/dbraw/zinc/74/26/60/431742660.db2.gz CTXKQACFZLZGDV-ZDUSSCGKSA-N 1 0 305.378 3.128 10 30 DGEERO Cc1ccc[n+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 ZINC000029352001 431719273 /nfs/dbraw/zinc/71/92/73/431719273.db2.gz VYJWEXCBZASVTC-OAHLLOKOSA-N 1 0 313.446 3.200 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123722063 431872076 /nfs/dbraw/zinc/87/20/76/431872076.db2.gz VDZKFQAASSUMFX-UHFFFAOYSA-N 1 0 318.380 3.061 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597527 431915405 /nfs/dbraw/zinc/91/54/05/431915405.db2.gz SEVURNDZUWOUII-KRWDZBQOSA-N 1 0 300.446 3.169 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093690984 431917362 /nfs/dbraw/zinc/91/73/62/431917362.db2.gz CDNHPFREVVLPPQ-KXBFYZLASA-N 1 0 323.396 3.026 10 30 DGEERO N#Cc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)o1 ZINC000123900642 431878147 /nfs/dbraw/zinc/87/81/47/431878147.db2.gz WCJJMNNLYBSVCF-UHFFFAOYSA-N 1 0 306.369 3.407 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000127710730 431979598 /nfs/dbraw/zinc/97/95/98/431979598.db2.gz AQVNARMFWRGDKT-DLBZAZTESA-N 1 0 310.401 3.037 10 30 DGEERO C#CCOc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)cc1 ZINC000248159912 432271895 /nfs/dbraw/zinc/27/18/95/432271895.db2.gz RZDZCOYOLVGZQV-PNHOKKKMSA-N 1 0 307.393 3.008 10 30 DGEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)s1)CC2 ZINC000183319492 432282347 /nfs/dbraw/zinc/28/23/47/432282347.db2.gz HFRFVPDVWWDZID-RYUDHWBXSA-N 1 0 315.446 3.000 10 30 DGEERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000151863224 432283671 /nfs/dbraw/zinc/28/36/71/432283671.db2.gz IBOKRHXXHADKSC-YJBOKZPZSA-N 1 0 321.424 3.496 10 30 DGEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000248894205 432327683 /nfs/dbraw/zinc/32/76/83/432327683.db2.gz GIVGHZQFVRKYFY-JEBQAFNWSA-N 1 0 312.438 3.389 10 30 DGEERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C12CCOCC2 ZINC000248909913 432329662 /nfs/dbraw/zinc/32/96/62/432329662.db2.gz BUHXUKHZFJHGDO-FHLIZLRMSA-N 1 0 314.429 3.183 10 30 DGEERO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(C#N)o1 ZINC000184536638 432403392 /nfs/dbraw/zinc/40/33/92/432403392.db2.gz VVKSIHDHRBMDHY-LJQANCHMSA-N 1 0 311.429 3.397 10 30 DGEERO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccnc(C#N)c3)c2C1 ZINC000193619409 432484118 /nfs/dbraw/zinc/48/41/18/432484118.db2.gz BKEMBLLBWIPUIS-UHFFFAOYSA-N 1 0 320.396 3.177 10 30 DGEERO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000186237330 432572901 /nfs/dbraw/zinc/57/29/01/432572901.db2.gz UIVQVXVYICSRKB-QGZVFWFLSA-N 1 0 306.413 3.196 10 30 DGEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177372740 432617192 /nfs/dbraw/zinc/61/71/92/432617192.db2.gz ULFJKPDFUMEDCL-GOSISDBHSA-N 1 0 313.832 3.361 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000186701761 432623524 /nfs/dbraw/zinc/62/35/24/432623524.db2.gz ZJEDGQGGFCANPN-KOLCDFICSA-N 1 0 302.187 3.176 10 30 DGEERO CC[N@H+](CCc1nccs1)Cc1cc(C#N)ccc1OC ZINC000159247344 432676335 /nfs/dbraw/zinc/67/63/35/432676335.db2.gz RRHLWDGBRBFCPL-UHFFFAOYSA-N 1 0 301.415 3.088 10 30 DGEERO C[NH+](C)Cc1cc(CNc2ccc(Cl)c(C#N)n2)ccc1F ZINC000265228315 432678202 /nfs/dbraw/zinc/67/82/02/432678202.db2.gz QCXCLZUHCUIGRC-UHFFFAOYSA-N 1 0 318.783 3.419 10 30 DGEERO C[C@@H]1C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC(C)(C)C1 ZINC000184149072 288611257 /nfs/dbraw/zinc/61/12/57/288611257.db2.gz KKNSFWMZMXNZBI-CVEARBPZSA-N 1 0 307.482 3.143 10 30 DGEERO C#Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000245499873 432838105 /nfs/dbraw/zinc/83/81/05/432838105.db2.gz YZRZNQRSHCPDAT-MSOLQXFVSA-N 1 0 311.429 3.147 10 30 DGEERO O[C@@]12CCCC[C@H]1C[N@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000245980117 432873018 /nfs/dbraw/zinc/87/30/18/432873018.db2.gz YDGKDRVOZGEVNR-FUHWJXTLSA-N 1 0 303.833 3.319 10 30 DGEERO CC[N@@H+]1CCC[C@H](NC(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000329992081 432886316 /nfs/dbraw/zinc/88/63/16/432886316.db2.gz ALGBUOUCIAMAHO-GPANFISMSA-N 1 0 321.465 3.353 10 30 DGEERO Cc1noc(C(C)C)c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330101969 432893766 /nfs/dbraw/zinc/89/37/66/432893766.db2.gz IEJVQWZTEJOEAI-UHFFFAOYSA-N 1 0 305.422 3.428 10 30 DGEERO Cc1ncc2n1CC[C@H](C(=O)N[C@](C)(CO)C1CCCCC1)C2 ZINC000330125838 432894492 /nfs/dbraw/zinc/89/44/92/432894492.db2.gz BTUCOCJHQNURLA-KBXCAEBGSA-N 1 0 319.449 3.042 10 30 DGEERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000245568735 432846902 /nfs/dbraw/zinc/84/69/02/432846902.db2.gz VPMAEYIUDHOQNN-HOTGVXAUSA-N 1 0 301.434 3.238 10 30 DGEERO COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1C#N ZINC000245653237 432853007 /nfs/dbraw/zinc/85/30/07/432853007.db2.gz NLSCIEPMAGNTCK-AZUAARDMSA-N 1 0 321.424 3.102 10 30 DGEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C#N)c2C)[C@@H](C)C1 ZINC000245677315 432855892 /nfs/dbraw/zinc/85/58/92/432855892.db2.gz IGTIPYLAYHPDJA-SUMWQHHRSA-N 1 0 314.433 3.061 10 30 DGEERO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000330235246 432898277 /nfs/dbraw/zinc/89/82/77/432898277.db2.gz TUUAUIYWCPUBTH-SGIREYDYSA-N 1 0 306.381 3.268 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000330246215 432900064 /nfs/dbraw/zinc/90/00/64/432900064.db2.gz YCGCJZLBJAPAEZ-IUIKQTSFSA-N 1 0 306.381 3.268 10 30 DGEERO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000330240495 432900137 /nfs/dbraw/zinc/90/01/37/432900137.db2.gz FFYPBSYFYKRZBO-JQFCIGGWSA-N 1 0 302.418 3.437 10 30 DGEERO CC#CCCCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425037514 433079395 /nfs/dbraw/zinc/07/93/95/433079395.db2.gz KOTQAVYVFZAMOZ-UHFFFAOYSA-N 1 0 319.474 3.432 10 30 DGEERO C=CC(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425046070 433084867 /nfs/dbraw/zinc/08/48/67/433084867.db2.gz TVMMBEPWEQKXTH-UHFFFAOYSA-N 1 0 307.463 3.450 10 30 DGEERO CN(Cc1cccc(C#N)c1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336701135 433182050 /nfs/dbraw/zinc/18/20/50/433182050.db2.gz JVFJOWTZRYLMFG-IBGZPJMESA-N 1 0 323.415 3.404 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000425358735 433195827 /nfs/dbraw/zinc/19/58/27/433195827.db2.gz UOGBYBHYYGNVSG-MDNKFWRPSA-N 1 0 314.473 3.078 10 30 DGEERO N#Cc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000374600426 433233499 /nfs/dbraw/zinc/23/34/99/433233499.db2.gz BOKGTZRASSCKHP-FFZOFVMBSA-N 1 0 321.424 3.151 10 30 DGEERO C=C(C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000454196385 433315769 /nfs/dbraw/zinc/31/57/69/433315769.db2.gz QCNDMXMNTNJCIR-UHFFFAOYSA-N 1 0 315.461 3.438 10 30 DGEERO C=C(C)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374788417 433278787 /nfs/dbraw/zinc/27/87/87/433278787.db2.gz OIZUVUWNBIDCBC-INIZCTEOSA-N 1 0 324.428 3.418 10 30 DGEERO C=CCCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000448033690 433353336 /nfs/dbraw/zinc/35/33/36/433353336.db2.gz YZOLBQMCDXGKTQ-IRXDYDNUSA-N 1 0 308.853 3.268 10 30 DGEERO C=CC[C@H](Cc1ccccc1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000413979568 433334232 /nfs/dbraw/zinc/33/42/32/433334232.db2.gz BMXVPHQUDVBKDN-MRXNPFEDSA-N 1 0 309.413 3.065 10 30 DGEERO C=CCCCNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000447969482 433338468 /nfs/dbraw/zinc/33/84/68/433338468.db2.gz XEAJOBBASVVPEH-UHFFFAOYSA-N 1 0 303.450 3.294 10 30 DGEERO C=CCCCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000447990468 433342311 /nfs/dbraw/zinc/34/23/11/433342311.db2.gz RUJGXQFEAJCSTC-RDJZCZTQSA-N 1 0 301.434 3.087 10 30 DGEERO C=CCCCNC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000448391726 433404276 /nfs/dbraw/zinc/40/42/76/433404276.db2.gz UVLKTYVZRSMEPB-UHFFFAOYSA-N 1 0 321.509 3.496 10 30 DGEERO C=CCn1c(C)nnc1S[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283025762 433646247 /nfs/dbraw/zinc/64/62/47/433646247.db2.gz MMOTUOJFALNVTP-MRXNPFEDSA-N 1 0 314.458 3.139 10 30 DGEERO COc1ccc(C[NH+]2CCC(c3nccc(C)n3)CC2)cc1C#N ZINC000368329894 293116663 /nfs/dbraw/zinc/11/66/63/293116663.db2.gz URYNCUFYNMSDPB-UHFFFAOYSA-N 1 0 322.412 3.045 10 30 DGEERO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000449934143 433878877 /nfs/dbraw/zinc/87/88/77/433878877.db2.gz HTFGHAYTANVPFS-UKRRQHHQSA-N 1 0 306.475 3.459 10 30 DGEERO COc1cc(C#N)ccc1C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000363780150 434145921 /nfs/dbraw/zinc/14/59/21/434145921.db2.gz PSWVDCWYZXEFNT-UHFFFAOYSA-N 1 0 322.412 3.045 10 30 DGEERO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000346178564 434173907 /nfs/dbraw/zinc/17/39/07/434173907.db2.gz QINSWFLEOJZXFQ-BBWFWOEESA-N 1 0 301.434 3.086 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OC ZINC000295123211 434213393 /nfs/dbraw/zinc/21/33/93/434213393.db2.gz WYXVNXZJDAGEDJ-HOCLYGCPSA-N 1 0 300.402 3.432 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437103966 434215480 /nfs/dbraw/zinc/21/54/80/434215480.db2.gz CJEQYCJZAKBXHA-UONOGXRCSA-N 1 0 302.397 3.156 10 30 DGEERO C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328643159 434291623 /nfs/dbraw/zinc/29/16/23/434291623.db2.gz GFDAZTXVMANUOE-RBSFLKMASA-N 1 0 309.454 3.353 10 30 DGEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000328626330 434293442 /nfs/dbraw/zinc/29/34/42/434293442.db2.gz LOIVVNFFBNJPHB-ZDUSSCGKSA-N 1 0 304.419 3.308 10 30 DGEERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328675977 434295063 /nfs/dbraw/zinc/29/50/63/434295063.db2.gz RGRBRJGKVSJPPZ-HUUCEWRRSA-N 1 0 309.454 3.353 10 30 DGEERO C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)C[NH+]1CCCCC1 ZINC000328676152 434297164 /nfs/dbraw/zinc/29/71/64/434297164.db2.gz RKFUKBLOIXGKCC-CABCVRRESA-N 1 0 309.454 3.354 10 30 DGEERO C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)[NH+]1CCCCCC1 ZINC000328867355 434319216 /nfs/dbraw/zinc/31/92/16/434319216.db2.gz CCRQUBPBPHOGCN-XNRPHZJLSA-N 1 0 307.438 3.105 10 30 DGEERO Cc1oc(C(C)C)nc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329186273 434370266 /nfs/dbraw/zinc/37/02/66/434370266.db2.gz PULQGSQFMDZLRG-AGUYFDCRSA-N 1 0 305.422 3.426 10 30 DGEERO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(C#N)cc1F ZINC000358445887 434391985 /nfs/dbraw/zinc/39/19/85/434391985.db2.gz OGIJRVGMRCNMKV-CYBMUJFWSA-N 1 0 308.360 3.398 10 30 DGEERO C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(C#N)cc1F ZINC000358554270 434395997 /nfs/dbraw/zinc/39/59/97/434395997.db2.gz JOZCZAUTFBWWOC-CYBMUJFWSA-N 1 0 317.408 3.187 10 30 DGEERO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358580497 434399073 /nfs/dbraw/zinc/39/90/73/434399073.db2.gz XYFUVJMDMOUBSX-WBMJQRKESA-N 1 0 316.351 3.091 10 30 DGEERO C[C@@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358594776 434400082 /nfs/dbraw/zinc/40/00/82/434400082.db2.gz UDUVMJORIXSOAO-LSDHHAIUSA-N 1 0 303.425 3.468 10 30 DGEERO N#C[C@H]1CCC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C1 ZINC000193332500 294838615 /nfs/dbraw/zinc/83/86/15/294838615.db2.gz NUDMPJAQPFPWPR-HOCLYGCPSA-N 1 0 317.864 3.370 10 30 DGEERO C[C@@H]1CCC[C@](C#N)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000408229673 434553394 /nfs/dbraw/zinc/55/33/94/434553394.db2.gz VOHJFPOIYXRPFJ-QAPCUYQASA-N 1 0 305.466 3.087 10 30 DGEERO CC#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370423819 434613683 /nfs/dbraw/zinc/61/36/83/434613683.db2.gz VZDBJNHEGJVEGW-UXHICEINSA-N 1 0 324.468 3.446 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000424173412 434644127 /nfs/dbraw/zinc/64/41/27/434644127.db2.gz PSRUXZGVPDANCQ-MDNKFWRPSA-N 1 0 314.473 3.220 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1sc(C)cc1Br ZINC000424173160 434644815 /nfs/dbraw/zinc/64/48/15/434644815.db2.gz PFJAJULLDJJEDA-JQWIXIFHSA-N 1 0 316.264 3.500 10 30 DGEERO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C(C)C ZINC000424272731 434673588 /nfs/dbraw/zinc/67/35/88/434673588.db2.gz UXQSGPBQCDQKBE-UJMXGEILSA-N 1 0 320.521 3.478 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000424299999 434685248 /nfs/dbraw/zinc/68/52/48/434685248.db2.gz WMMOFGSNOHSARU-CBVHJVASSA-N 1 0 319.420 3.474 10 30 DGEERO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000453246940 434840651 /nfs/dbraw/zinc/84/06/51/434840651.db2.gz MZCBFLITIUELDD-LRDDRELGSA-N 1 0 316.351 3.091 10 30 DGEERO CC#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000462357831 434909690 /nfs/dbraw/zinc/90/96/90/434909690.db2.gz VNOOFXAOSICJHQ-HXUWFJFHSA-N 1 0 320.436 3.447 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000574030554 434943675 /nfs/dbraw/zinc/94/36/75/434943675.db2.gz ZQDBMLRRMMEBHS-KRWDZBQOSA-N 1 0 300.446 3.058 10 30 DGEERO C=CCCC[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000575207623 435006634 /nfs/dbraw/zinc/00/66/34/435006634.db2.gz WARXYXZBGQBEKA-UHFFFAOYSA-N 1 0 308.223 3.461 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575896296 435053322 /nfs/dbraw/zinc/05/33/22/435053322.db2.gz JFJYOTCEGZIDPE-WMZOPIPTSA-N 1 0 315.461 3.257 10 30 DGEERO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[C@H]3C3CCC3)C2=O)cc1 ZINC000558695892 435105823 /nfs/dbraw/zinc/10/58/23/435105823.db2.gz IOVXNJSYOQZSCI-FHWLQOOXSA-N 1 0 323.440 3.222 10 30 DGEERO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H]3C3CCC3)C2=O)cc1 ZINC000558695894 435105925 /nfs/dbraw/zinc/10/59/25/435105925.db2.gz IOVXNJSYOQZSCI-QRVBRYPASA-N 1 0 323.440 3.222 10 30 DGEERO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467415086 435120833 /nfs/dbraw/zinc/12/08/33/435120833.db2.gz CUFMKYYVMBSEHG-YOEHRIQHSA-N 1 0 312.388 3.260 10 30 DGEERO C=CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccccc1F ZINC000479193792 435322832 /nfs/dbraw/zinc/32/28/32/435322832.db2.gz MECCTSYWGUWWNN-LBPRGKRZSA-N 1 0 320.437 3.312 10 30 DGEERO C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000512659706 435364615 /nfs/dbraw/zinc/36/46/15/435364615.db2.gz JJFQCWVWVLFNTF-HUUCEWRRSA-N 1 0 303.425 3.470 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000535806059 435354791 /nfs/dbraw/zinc/35/47/91/435354791.db2.gz CDAQGQXKMGQDMG-WMZOPIPTSA-N 1 0 301.430 3.500 10 30 DGEERO C=C(CC)C[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000539094862 435540530 /nfs/dbraw/zinc/54/05/30/435540530.db2.gz VTLXFPACYHKYBH-UHFFFAOYSA-N 1 0 308.853 3.303 10 30 DGEERO C=C(C)COc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)ccc1OC ZINC000517436296 435595002 /nfs/dbraw/zinc/59/50/02/435595002.db2.gz QXKVIHFIWWFZOA-IYBDPMFKSA-N 1 0 305.418 3.259 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000540539319 435606185 /nfs/dbraw/zinc/60/61/85/435606185.db2.gz NBMDPAHDEIKRPX-OAHLLOKOSA-N 1 0 304.434 3.102 10 30 DGEERO C=C[C@@H]1CCCCN1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489447080 435648493 /nfs/dbraw/zinc/64/84/93/435648493.db2.gz JOOKRWSRJCLJQS-YMVOSSCXSA-N 1 0 302.462 3.112 10 30 DGEERO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333521157 301307097 /nfs/dbraw/zinc/30/70/97/301307097.db2.gz KSCZGSUKCKQAET-IBGZPJMESA-N 1 0 324.403 3.134 10 30 DGEERO N#Cc1ccc2ncc(C[N@H+](C[C@@H]3CCCO3)C3CCCC3)n2c1 ZINC000093665872 303201718 /nfs/dbraw/zinc/20/17/18/303201718.db2.gz ARAONUKHTYIONE-SFHVURJKSA-N 1 0 324.428 3.130 10 30 DGEERO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000551425895 314561174 /nfs/dbraw/zinc/56/11/74/314561174.db2.gz PIILUJIVKWNDSR-HNAYVOBHSA-N 1 0 322.408 3.068 10 30 DGEERO COc1cccc(F)c1[C@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC000179937920 323217450 /nfs/dbraw/zinc/21/74/50/323217450.db2.gz SMQCEAZUKREHPK-ZDUSSCGKSA-N 1 0 314.360 3.436 10 30 DGEERO COc1ccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)cc1C#N ZINC000181146047 323247452 /nfs/dbraw/zinc/24/74/52/323247452.db2.gz ABPWHUOLAQVUMC-UHFFFAOYSA-N 1 0 324.424 3.340 10 30 DGEERO Cc1cc(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)ccc1C#N ZINC000443972576 533706561 /nfs/dbraw/zinc/70/65/61/533706561.db2.gz YCJWWTKVBADLKG-UHFFFAOYSA-N 1 0 316.408 3.401 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000185030024 335108101 /nfs/dbraw/zinc/10/81/01/335108101.db2.gz LDHYRAORZANUBA-RHSMWYFYSA-N 1 0 304.434 3.016 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2CCc3cc(N)ccc32)cc(OC)c1O ZINC000569825428 332683975 /nfs/dbraw/zinc/68/39/75/332683975.db2.gz QGXOSPHWNXLAGE-GOSISDBHSA-N 1 0 324.424 3.489 10 30 DGEERO C=CCCCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000580282401 333056818 /nfs/dbraw/zinc/05/68/18/333056818.db2.gz NCCSYKJFEGDJEB-MRXNPFEDSA-N 1 0 301.434 3.397 10 30 DGEERO C=CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000565363838 333399802 /nfs/dbraw/zinc/39/98/02/333399802.db2.gz VJOPNNIUGMPCGB-RBUKOAKNSA-N 1 0 300.446 3.358 10 30 DGEERO C/C(=C\c1cccc(C(F)(F)F)c1)CN1CCN(CC#N)CC1 ZINC000518836531 335393740 /nfs/dbraw/zinc/39/37/40/335393740.db2.gz FKYCKZWWYUKFGK-SDNWHVSQSA-N 1 0 323.362 3.250 10 30 DGEERO N#CCc1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)cc1 ZINC000329646747 336026423 /nfs/dbraw/zinc/02/64/23/336026423.db2.gz ZZMVOYZBJFTGQX-UHFFFAOYSA-N 1 0 322.412 3.393 10 30 DGEERO C[NH+]=C(NCc1cc(Oc2ccc(F)cc2)ccn1)NC(C)C ZINC000262428158 337617547 /nfs/dbraw/zinc/61/75/47/337617547.db2.gz MBZYBTJJKQCJNI-UHFFFAOYSA-N 1 0 316.380 3.086 10 30 DGEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CCC(C)(C)O2)cc1Cl ZINC000262430487 337617669 /nfs/dbraw/zinc/61/76/69/337617669.db2.gz JCUAWYCDUDBEIS-NSHDSACASA-N 1 0 311.813 3.033 10 30 DGEERO COC1CCC(C)(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000262432883 337617686 /nfs/dbraw/zinc/61/76/86/337617686.db2.gz FQZPDVFSDULLEC-UHFFFAOYSA-N 1 0 315.461 3.497 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)ccc1OC ZINC000527767736 337762339 /nfs/dbraw/zinc/76/23/39/337762339.db2.gz YHPLAULMAISCSK-BEFAXECRSA-N 1 0 317.429 3.307 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)cc1 ZINC000499252329 340033309 /nfs/dbraw/zinc/03/33/09/340033309.db2.gz FZNHNMUDVJZNJB-HKUYNNGSSA-N 1 0 317.429 3.463 10 30 DGEERO C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510993945 340317405 /nfs/dbraw/zinc/31/74/05/340317405.db2.gz PARPSCMKZVQKAG-IAGOWNOFSA-N 1 0 316.445 3.001 10 30 DGEERO C=CC[C@@H]1N(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCC1(C)C ZINC000529350362 340753253 /nfs/dbraw/zinc/75/32/53/340753253.db2.gz DFOKIBYPIQXDQY-CABCVRRESA-N 1 0 305.466 3.047 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545858670 341143455 /nfs/dbraw/zinc/14/34/55/341143455.db2.gz JSKPZQBLQGCJAI-UHFFFAOYSA-N 1 0 319.474 3.098 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000079254275 341255925 /nfs/dbraw/zinc/25/59/25/341255925.db2.gz OQGYYVDGMABJKD-CQSZACIVSA-N 1 0 309.479 3.176 10 30 DGEERO CO[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1C ZINC000249139897 341394577 /nfs/dbraw/zinc/39/45/77/341394577.db2.gz FKVVQQZIZVADNC-MAUKXSAKSA-N 1 0 302.418 3.226 10 30 DGEERO C=CCCCCCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000576767838 341862490 /nfs/dbraw/zinc/86/24/90/341862490.db2.gz RQBIIRFBQCDOQJ-UHFFFAOYSA-N 1 0 313.445 3.466 10 30 DGEERO C#CCOC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C ZINC000036104455 518312179 /nfs/dbraw/zinc/31/21/79/518312179.db2.gz KAUKFOFVAXKEBC-OAQYLSRUSA-N 1 0 323.436 3.008 10 30 DGEERO C=CCC(C)(C)CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000458816044 534545367 /nfs/dbraw/zinc/54/53/67/534545367.db2.gz ZTIIXECYDZXLNZ-MRXNPFEDSA-N 1 0 307.482 3.249 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC000451669845 534574773 /nfs/dbraw/zinc/57/47/73/534574773.db2.gz BBXADDDQDSMJCM-CVEARBPZSA-N 1 0 302.349 3.304 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000459051502 534598466 /nfs/dbraw/zinc/59/84/66/534598466.db2.gz ORUNUPQCYWAUMY-MRXNPFEDSA-N 1 0 305.466 3.001 10 30 DGEERO C=CCCCC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000449120434 534697645 /nfs/dbraw/zinc/69/76/45/534697645.db2.gz CXHBOFAWPXKVPZ-FUHWJXTLSA-N 1 0 302.462 3.410 10 30 DGEERO CC#CCC[N@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000360485321 526308533 /nfs/dbraw/zinc/30/85/33/526308533.db2.gz BRILJHVQVVSASZ-YLJYHZDGSA-N 1 0 313.489 3.336 10 30 DGEERO C=CC[N@@H+](CCc1ccco1)Cc1cnc2nc(C)cc(C)n12 ZINC000352929710 526327610 /nfs/dbraw/zinc/32/76/10/526327610.db2.gz HYFQYCLJWUIMMZ-UHFFFAOYSA-N 1 0 310.401 3.170 10 30 DGEERO C[NH+]=C(NCc1nccs1)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000157225547 526390853 /nfs/dbraw/zinc/39/08/53/526390853.db2.gz BAHYZQYFOYACKD-NSHDSACASA-N 1 0 306.410 3.017 10 30 DGEERO C=C(C)COc1cc(C[NH2+]Cc2ncccc2O)ccc1OC ZINC000355275889 526660664 /nfs/dbraw/zinc/66/06/64/526660664.db2.gz FAEHRXHKUXNUSA-UHFFFAOYSA-N 1 0 314.385 3.041 10 30 DGEERO C#CCCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000363725050 526690522 /nfs/dbraw/zinc/69/05/22/526690522.db2.gz PEJYYXYGURXRJL-HSALFYBXSA-N 1 0 324.468 3.207 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193771699 526699081 /nfs/dbraw/zinc/69/90/81/526699081.db2.gz LQMFQEDZAQRMNA-SJLPKXTDSA-N 1 0 300.446 3.227 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000185590437 526713590 /nfs/dbraw/zinc/71/35/90/526713590.db2.gz VTVNPHWGFHOGTG-BQFCYCMXSA-N 1 0 315.461 3.011 10 30 DGEERO C=CCOc1ccc(C[N@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC000351604851 526862296 /nfs/dbraw/zinc/86/22/96/526862296.db2.gz XSNWZVDFNCRITB-UHFFFAOYSA-N 1 0 305.418 3.415 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000339500525 526886090 /nfs/dbraw/zinc/88/60/90/526886090.db2.gz AUBWIUGXNVZMFF-UHFFFAOYSA-N 1 0 309.413 3.251 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@]23CCCO3)cc1 ZINC000353892006 526888439 /nfs/dbraw/zinc/88/84/39/526888439.db2.gz YZTCSZVECVCURQ-QRVBRYPASA-N 1 0 317.429 3.068 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1 ZINC000180813729 526899702 /nfs/dbraw/zinc/89/97/02/526899702.db2.gz YWPVOUANRPSJRJ-QXAKKESOSA-N 1 0 317.429 3.020 10 30 DGEERO C=CCC(C)(C)CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415965968 527009918 /nfs/dbraw/zinc/00/99/18/527009918.db2.gz BCUAHQIGNCVPTE-UHFFFAOYSA-N 1 0 305.397 3.195 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000184273637 527101291 /nfs/dbraw/zinc/10/12/91/527101291.db2.gz WJCYHDPBHNMGFK-JTQLQIEISA-N 1 0 304.615 3.129 10 30 DGEERO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000346178567 527157311 /nfs/dbraw/zinc/15/73/11/527157311.db2.gz QINSWFLEOJZXFQ-GVDBMIGSSA-N 1 0 301.434 3.086 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000349753603 527210342 /nfs/dbraw/zinc/21/03/42/527210342.db2.gz CESWNFUCEFBECH-ZWNOBZJWSA-N 1 0 316.214 3.046 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000349753596 527210414 /nfs/dbraw/zinc/21/04/14/527210414.db2.gz CESWNFUCEFBECH-GXFFZTMASA-N 1 0 316.214 3.046 10 30 DGEERO C=CCCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000448380992 527217999 /nfs/dbraw/zinc/21/79/99/527217999.db2.gz IFFIRVOWPGGCJG-IAGOWNOFSA-N 1 0 307.482 3.249 10 30 DGEERO C=CCCCNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000447965555 527220296 /nfs/dbraw/zinc/22/02/96/527220296.db2.gz PQPZDBFTLSPVDI-MRXNPFEDSA-N 1 0 303.450 3.162 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415581873 527259132 /nfs/dbraw/zinc/25/91/32/527259132.db2.gz NYWNIBPZWDQIDI-AWEZNQCLSA-N 1 0 301.434 3.364 10 30 DGEERO C=CCn1c(Cc2ccccc2)nnc1SC[C@@H](C)[NH+](C)C ZINC000358852940 527326490 /nfs/dbraw/zinc/32/64/90/527326490.db2.gz HODJDISWWSYYAW-CQSZACIVSA-N 1 0 316.474 3.097 10 30 DGEERO C=CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1cccs1 ZINC000358802952 527341730 /nfs/dbraw/zinc/34/17/30/527341730.db2.gz QQXRPLPFRSYZRH-NSHDSACASA-N 1 0 308.476 3.235 10 30 DGEERO C=CCC[C@@H]([NH2+][C@H]1CC(=O)N(c2cccc(OC)c2)C1)C1CC1 ZINC000346747298 527450947 /nfs/dbraw/zinc/45/09/47/527450947.db2.gz CZQUBOSGZNEXJD-MAUKXSAKSA-N 1 0 314.429 3.135 10 30 DGEERO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1)c1ccco1 ZINC000340532572 527488120 /nfs/dbraw/zinc/48/81/20/527488120.db2.gz KUBBHZWSGAQZAX-BURFUSLBSA-N 1 0 315.417 3.492 10 30 DGEERO CCN(CCC[NH+](CC)CC)C(=O)NCC1CCC(C#N)CC1 ZINC000442726405 528102699 /nfs/dbraw/zinc/10/26/99/528102699.db2.gz CJEHZABXAKZJGA-UHFFFAOYSA-N 1 0 322.497 3.080 10 30 DGEERO CC(C)[NH+](CCNC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000183493191 528905542 /nfs/dbraw/zinc/90/55/42/528905542.db2.gz HBFWFAFAPLELMS-UHFFFAOYSA-N 1 0 313.445 3.090 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455369 545815191 /nfs/dbraw/zinc/81/51/91/545815191.db2.gz VWBRTZHKSNBSLS-AAEUAGOBSA-N 1 0 312.866 3.291 10 30 DGEERO C=CCOc1ccccc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000093863990 545859844 /nfs/dbraw/zinc/85/98/44/545859844.db2.gz GIRQUNGFZYVGFR-KRWDZBQOSA-N 1 0 311.429 3.494 10 30 DGEERO N#Cc1ccc(OCC[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000181154980 546153935 /nfs/dbraw/zinc/15/39/35/546153935.db2.gz YDGMBPXPVJWBTC-GOSISDBHSA-N 1 0 308.381 3.441 10 30 DGEERO C#C[C@@H](C)[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000229163589 546271930 /nfs/dbraw/zinc/27/19/30/546271930.db2.gz DAJCJWWMMNCEIR-CYBMUJFWSA-N 1 0 300.402 3.096 10 30 DGEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000328921761 546482009 /nfs/dbraw/zinc/48/20/09/546482009.db2.gz BRAGGGGURCRAOP-BZZMCLGOSA-N 1 0 311.429 3.403 10 30 DGEERO Cc1cc2c[nH]nc2c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000329179134 546483331 /nfs/dbraw/zinc/48/33/31/546483331.db2.gz NUNLDYPTCZNCCF-CQSZACIVSA-N 1 0 312.417 3.193 10 30 DGEERO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329176434 546483510 /nfs/dbraw/zinc/48/35/10/546483510.db2.gz MVMWENYODQOULV-WFASDCNBSA-N 1 0 318.465 3.114 10 30 DGEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000585159406 547025956 /nfs/dbraw/zinc/02/59/56/547025956.db2.gz NZKJOEAYACKSDF-YDVWWWKISA-N 1 0 323.440 3.253 10 30 DGEERO CC(C)(C)[NH2+]CC#Cc1c[nH]c2cncc(Br)c12 ZINC000725244879 549811372 /nfs/dbraw/zinc/81/13/72/549811372.db2.gz AVUVCVBFEROFEF-UHFFFAOYSA-N 1 0 306.207 3.065 10 30 DGEERO C#Cc1cccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000730898016 574538228 /nfs/dbraw/zinc/53/82/28/574538228.db2.gz VDAINTZYWYTKJT-SFHVURJKSA-N 1 0 311.429 3.150 10 30 DGEERO C=CCCC(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000733683572 574634320 /nfs/dbraw/zinc/63/43/20/574634320.db2.gz XMSAEKCFKMNPEI-UHFFFAOYSA-N 1 0 303.402 3.423 10 30 DGEERO C=CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(OC)cc1 ZINC000733897599 574642050 /nfs/dbraw/zinc/64/20/50/574642050.db2.gz KBTALOJFCFHREW-UHFFFAOYSA-N 1 0 320.433 3.208 10 30 DGEERO COc1ccc(C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)cc1C#N ZINC000742372148 574993367 /nfs/dbraw/zinc/99/33/67/574993367.db2.gz SMMHCFRFWQLLBJ-ZWKOTPCHSA-N 1 0 316.445 3.496 10 30 DGEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCSc1ccc(C)cc1 ZINC000729808471 575263472 /nfs/dbraw/zinc/26/34/72/575263472.db2.gz CDFUJONJUWVRKM-MRXNPFEDSA-N 1 0 317.454 3.118 10 30 DGEERO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(CSCC)cc1 ZINC000729812157 575263789 /nfs/dbraw/zinc/26/37/89/575263789.db2.gz NLVRTNCGFFKQLT-KRWDZBQOSA-N 1 0 317.454 3.194 10 30 DGEERO CCCCOc1ncccc1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000104180446 617962851 /nfs/dbraw/zinc/96/28/51/617962851.db2.gz VDEVDCXXAONDDJ-UHFFFAOYSA-N 1 0 312.417 3.496 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1(c2cccc(F)c2)CC1 ZINC000121295167 619039017 /nfs/dbraw/zinc/03/90/17/619039017.db2.gz JUAYOSKAMDSVJT-HNNXBMFYSA-N 1 0 317.404 3.134 10 30 DGEERO C#CCCOc1ccc(C[NH2+]CCN2CCCC[C@@H]2C)cc1 ZINC000113322177 620904634 /nfs/dbraw/zinc/90/46/34/620904634.db2.gz XPPTWTPICBFXJK-KRWDZBQOSA-N 1 0 300.446 3.053 10 30 DGEERO COc1cccc2c1OC/C(=C\c1cnc3c(C)cccn13)C2=O ZINC000125350668 623431829 /nfs/dbraw/zinc/43/18/29/623431829.db2.gz CBINITMXUQNOTH-UKTHLTGXSA-N 1 0 320.348 3.310 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1 ZINC000130331975 625838562 /nfs/dbraw/zinc/83/85/62/625838562.db2.gz ZXKUHOVCIPRSSA-WMLDXEAASA-N 1 0 301.386 3.446 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1 ZINC000132142803 626701782 /nfs/dbraw/zinc/70/17/82/626701782.db2.gz ZYKUKBRQRUWGCE-FQEVSTJZSA-N 1 0 309.409 3.175 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1CCC(F)(F)CC1 ZINC000134018044 626850758 /nfs/dbraw/zinc/85/07/58/626850758.db2.gz DBRVFDJJOBASKR-CYBMUJFWSA-N 1 0 301.377 3.089 10 30 DGEERO C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000221270777 627217155 /nfs/dbraw/zinc/21/71/55/627217155.db2.gz CWXLPIHVHSGGCC-ZIAGYGMSSA-N 1 0 309.454 3.161 10 30 DGEERO [NH2+]=C(NCc1ccsc1Br)NC1CCCCC1 ZINC000261782698 655671410 /nfs/dbraw/zinc/67/14/10/655671410.db2.gz NBNHOQQBTOMBQE-UHFFFAOYSA-N 1 0 316.268 3.248 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)/C=C\c1ccnc(Cl)c1 ZINC000255376847 655720742 /nfs/dbraw/zinc/72/07/42/655720742.db2.gz XOZMHHZRFNCNMZ-CKXPSTMWSA-N 1 0 320.820 3.025 10 30 DGEERO C[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC(F)(F)F ZINC000724055876 655739355 /nfs/dbraw/zinc/73/93/55/655739355.db2.gz BSLCTKYOJVKIRO-RNFRBKRXSA-N 1 0 317.220 3.113 10 30 DGEERO CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@H](C)c1ccc(C)c(F)c1 ZINC000262027082 655752730 /nfs/dbraw/zinc/75/27/30/655752730.db2.gz ZYMYANWSPOMFDM-KDOFPFPSSA-N 1 0 321.440 3.177 10 30 DGEERO N#Cc1ccc(C[NH2+]CCc2sccc2Br)o1 ZINC000713104214 661190213 /nfs/dbraw/zinc/19/02/13/661190213.db2.gz HNVNPPZZUQONMT-UHFFFAOYSA-N 1 0 311.204 3.308 10 30 DGEERO C=C(Br)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177298799 655920472 /nfs/dbraw/zinc/92/04/72/655920472.db2.gz GAPFGPZYUXWGRK-GFCCVEGCSA-N 1 0 306.207 3.432 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](c2cccs2)N(C)C)c1 ZINC000262320963 657507842 /nfs/dbraw/zinc/50/78/42/657507842.db2.gz QJQHBKBSMHLKPT-CQSZACIVSA-N 1 0 302.447 3.086 10 30 DGEERO CC[NH+]=C(NCC1(C)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262409245 657551999 /nfs/dbraw/zinc/55/19/99/657551999.db2.gz OZYUCMOSELEZNY-VXGBXAGGSA-N 1 0 305.388 3.463 10 30 DGEERO CC(C)[C@H](CNC(=[NH2+])NC1CCCCC1)Nc1ccccc1 ZINC000303777382 657562151 /nfs/dbraw/zinc/56/21/51/657562151.db2.gz IRTDFKAUGHYFLN-KRWDZBQOSA-N 1 0 302.466 3.360 10 30 DGEERO Cc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000303898916 657575190 /nfs/dbraw/zinc/57/51/90/657575190.db2.gz RJMVSKXJMQYDNU-UHFFFAOYSA-N 1 0 324.306 3.215 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCOc2ccc(F)c(F)c2)c1 ZINC000304753411 657646939 /nfs/dbraw/zinc/64/69/39/657646939.db2.gz LCYIQBCNQRJURW-UHFFFAOYSA-N 1 0 305.328 3.079 10 30 DGEERO Cc1cccc([C@H](C)CNC(=[NH2+])NCCc2cccs2)c1 ZINC000304813909 657654485 /nfs/dbraw/zinc/65/44/85/657654485.db2.gz ZGTGDVAGHHFGJF-CQSZACIVSA-N 1 0 301.459 3.307 10 30 DGEERO COC(=O)CCCCCCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000305081180 657678013 /nfs/dbraw/zinc/67/80/13/657678013.db2.gz MLRMQMKFIAMMFV-UHFFFAOYSA-N 1 0 305.422 3.235 10 30 DGEERO Cc1cnn(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)c1 ZINC000262520871 657680484 /nfs/dbraw/zinc/68/04/84/657680484.db2.gz IJEQSDOKFMSYPX-UHFFFAOYSA-N 1 0 311.433 3.146 10 30 DGEERO CC(C)(CNC(=[NH2+])NCCc1cccs1)c1cccc(F)c1 ZINC000304765056 657712326 /nfs/dbraw/zinc/71/23/26/657712326.db2.gz YTKJVRDYIOCKON-UHFFFAOYSA-N 1 0 319.449 3.312 10 30 DGEERO CCc1nc(CNC(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)=[NH+]C)cs1 ZINC000262796157 658036447 /nfs/dbraw/zinc/03/64/47/658036447.db2.gz PNYWMQUOSRDMPX-BFHYXJOUSA-N 1 0 320.506 3.339 10 30 DGEERO [NH2+]=C(NCCc1cccs1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000262812306 658042890 /nfs/dbraw/zinc/04/28/90/658042890.db2.gz OIXBBVCFXDJRAU-JOCQHMNTSA-N 1 0 317.433 3.280 10 30 DGEERO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccncc2OC)cc1 ZINC000189571962 658140877 /nfs/dbraw/zinc/14/08/77/658140877.db2.gz CPPDLKHKEQDROW-OAHLLOKOSA-N 1 0 310.397 3.343 10 30 DGEERO CC(C)[C@H]1C[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCO1 ZINC000263112464 658141580 /nfs/dbraw/zinc/14/15/80/658141580.db2.gz LEXJTXJDWGTULE-RDTXWAMCSA-N 1 0 315.461 3.353 10 30 DGEERO CC(C)[C@@H]1C[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCO1 ZINC000263112463 658141864 /nfs/dbraw/zinc/14/18/64/658141864.db2.gz LEXJTXJDWGTULE-KSSFIOAISA-N 1 0 315.461 3.353 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCCCC1(F)F ZINC000263192345 658175598 /nfs/dbraw/zinc/17/55/98/658175598.db2.gz VZDFSENXCHEERL-NSHDSACASA-N 1 0 301.406 3.020 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+]CCCCF ZINC000311016412 658465367 /nfs/dbraw/zinc/46/53/67/658465367.db2.gz QDDVFMFFWLKVIJ-UHFFFAOYSA-N 1 0 314.198 3.300 10 30 DGEERO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1cncc(C#N)c1 ZINC000721599086 658740315 /nfs/dbraw/zinc/74/03/15/658740315.db2.gz YFLNWMVKJHJEHQ-RBUKOAKNSA-N 1 0 321.424 3.427 10 30 DGEERO CC1(C)[C@H]([NH2+]Cc2cncc(C#N)c2)C[C@H]1OCc1ccccc1 ZINC000721599087 658740601 /nfs/dbraw/zinc/74/06/01/658740601.db2.gz YFLNWMVKJHJEHQ-RTBURBONSA-N 1 0 321.424 3.427 10 30 DGEERO CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000230974026 659361755 /nfs/dbraw/zinc/36/17/55/659361755.db2.gz IOLQSCPJTABZNX-ZIAGYGMSSA-N 1 0 309.454 3.304 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCc2ncc(CC)s2)cc1 ZINC000174624481 659451858 /nfs/dbraw/zinc/45/18/58/659451858.db2.gz RYHDETJLNRZHLM-UHFFFAOYSA-N 1 0 300.427 3.050 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCc2cc(F)ccc2F)cc1 ZINC000237751106 659940428 /nfs/dbraw/zinc/94/04/28/659940428.db2.gz RSLBTQVGAQQXGL-UHFFFAOYSA-N 1 0 301.336 3.309 10 30 DGEERO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000182294090 660041715 /nfs/dbraw/zinc/04/17/15/660041715.db2.gz YCFYZWVBGMFENP-AWEZNQCLSA-N 1 0 324.380 3.407 10 30 DGEERO COc1ccc(O)c(/C=N/[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000183390895 660109937 /nfs/dbraw/zinc/10/99/37/660109937.db2.gz XEJZSHPIIZAPHQ-SLDJAQPHSA-N 1 0 312.413 3.340 10 30 DGEERO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000188776973 661944679 /nfs/dbraw/zinc/94/46/79/661944679.db2.gz VDWBZGFHSZLLFZ-KBPBESRZSA-N 1 0 311.385 3.404 10 30 DGEERO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000189547694 661981387 /nfs/dbraw/zinc/98/13/87/661981387.db2.gz GXGDLABQEQYHGU-KGLIPLIRSA-N 1 0 311.385 3.232 10 30 DGEERO C=CCSCC[NH2+]Cc1nc(C)c(Br)s1 ZINC000719322133 662273953 /nfs/dbraw/zinc/27/39/53/662273953.db2.gz OBOFLBBYMAQGTD-UHFFFAOYSA-N 1 0 307.282 3.223 10 30 DGEERO COc1ccccc1OCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000091900245 662324389 /nfs/dbraw/zinc/32/43/89/662324389.db2.gz HBRAFWLPNFKDAT-UHFFFAOYSA-N 1 0 302.399 3.139 10 30 DGEERO C#CCOc1ccc(CN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000092594302 662332952 /nfs/dbraw/zinc/33/29/52/662332952.db2.gz XTYCWQIWTVHCCL-QGZVFWFLSA-N 1 0 313.422 3.334 10 30 DGEERO C#CCOc1ccccc1CN1CCO[C@H](c2cccs2)C1 ZINC000092594421 662333039 /nfs/dbraw/zinc/33/30/39/662333039.db2.gz XVOPVQJUPYJPBL-KRWDZBQOSA-N 1 0 313.422 3.334 10 30 DGEERO Cc1nc(C#N)cc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000308274833 1199702874 /nfs/dbraw/zinc/70/28/74/1199702874.db2.gz UXNPGEXMJYFWCS-SFHVURJKSA-N 1 0 321.428 3.123 10 30 DGEERO N#Cc1ccc(Br)cc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000123180125 1200275855 /nfs/dbraw/zinc/27/58/55/1200275855.db2.gz OOVJOXIUQJOSHZ-DZGCQCFKSA-N 1 0 320.234 3.359 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1OC ZINC000134482289 1201201165 /nfs/dbraw/zinc/20/11/65/1201201165.db2.gz BGNNHKGUODEVJH-AWEZNQCLSA-N 1 0 305.418 3.165 10 30 DGEERO N#Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1Br ZINC000231845519 1202600299 /nfs/dbraw/zinc/60/02/99/1202600299.db2.gz MWQIJYZVXVUWPT-SNVBAGLBSA-N 1 0 324.197 3.108 10 30 DGEERO C[C@@H]1C[C@@H](Nc2cc(Br)ccc2C#N)C[N@@H+]1C1CC1 ZINC000235440067 1202604504 /nfs/dbraw/zinc/60/45/04/1202604504.db2.gz DPTREDQAMXMOSI-ZWNOBZJWSA-N 1 0 320.234 3.358 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCN2CCC[C@H](C)C2)cc1OC ZINC000237170173 1202653116 /nfs/dbraw/zinc/65/31/16/1202653116.db2.gz OKLZCIVGTGWGGG-INIZCTEOSA-N 1 0 318.461 3.082 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](C)c2cn(C)nc2C)cc1OC ZINC000237228894 1202660010 /nfs/dbraw/zinc/66/00/10/1202660010.db2.gz MXPATGSKRWHXKS-CYBMUJFWSA-N 1 0 315.417 3.153 10 30 DGEERO C[C@@H](Cc1ccsc1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000246068399 1203707737 /nfs/dbraw/zinc/70/77/37/1203707737.db2.gz RVWICCHRAKLVOK-SUMWQHHRSA-N 1 0 300.427 3.216 10 30 DGEERO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000174786616 1203910496 /nfs/dbraw/zinc/91/04/96/1203910496.db2.gz QSWGFEJROHMWTM-GOSISDBHSA-N 1 0 311.429 3.054 10 30 DGEERO C[N@@H+]1CCN(c2ccc(C#N)c(Br)c2)CCC1(C)C ZINC000712627007 1085768669 /nfs/dbraw/zinc/76/86/69/1085768669.db2.gz KVBWXAVOCWZHBJ-UHFFFAOYSA-N 1 0 322.250 3.241 10 30 DGEERO COc1ccc(C[NH2+]Cc2ccnc(OCC3CC3)c2)cc1C#N ZINC000174373059 1093514590 /nfs/dbraw/zinc/51/45/90/1093514590.db2.gz YVIMIJJWNXEUMK-UHFFFAOYSA-N 1 0 323.396 3.040 10 30 DGEERO CC#CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000400928085 1093925937 /nfs/dbraw/zinc/92/59/37/1093925937.db2.gz NAYGNZRCOUIQFQ-OWCLPIDISA-N 1 0 306.450 3.025 10 30 DGEERO CC#CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000717747613 1104401405 /nfs/dbraw/zinc/40/14/05/1104401405.db2.gz FDBNSGVURVJVAX-IBGZPJMESA-N 1 0 309.409 3.130 10 30 DGEERO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccnc(C#N)c1 ZINC000719883561 1105032312 /nfs/dbraw/zinc/03/23/12/1105032312.db2.gz NGMCGORQGHJTKI-FQEVSTJZSA-N 1 0 320.440 3.444 10 30 DGEERO N#Cc1ccncc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000310201941 231113468 /nfs/dbraw/zinc/11/34/68/231113468.db2.gz BXUQQBOIYXIRSM-GUDVDZBRSA-N 1 0 318.424 3.276 10 30 DGEERO N#Cc1ccncc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000310201940 231113579 /nfs/dbraw/zinc/11/35/79/231113579.db2.gz BXUQQBOIYXIRSM-GBESFXJTSA-N 1 0 318.424 3.276 10 30 DGEERO CC[C@@]1(C(C)C)C[C@@H]1NC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000263080193 529519898 /nfs/dbraw/zinc/51/98/98/529519898.db2.gz HPQWEJMFXJBNDC-WMZOPIPTSA-N 1 0 317.433 3.399 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000127003929 185911735 /nfs/dbraw/zinc/91/17/35/185911735.db2.gz JGPDFPWWRDVMCS-UHFFFAOYSA-N 1 0 301.434 3.105 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177854229 186193793 /nfs/dbraw/zinc/19/37/93/186193793.db2.gz YQRIVVFENDNOLO-JKSUJKDBSA-N 1 0 300.446 3.482 10 30 DGEERO CN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)c(F)c1 ZINC000130455786 432025951 /nfs/dbraw/zinc/02/59/51/432025951.db2.gz LGFWDAWUFUKJKM-UHFFFAOYSA-N 1 0 312.323 3.116 10 30 DGEERO C=CCC[C@@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1nccc(C)n1 ZINC000072468074 191175255 /nfs/dbraw/zinc/17/52/55/191175255.db2.gz QBEKYGUIFFHYPU-KSZLIROESA-N 1 0 313.445 3.397 10 30 DGEERO C#CCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174599106 198357227 /nfs/dbraw/zinc/35/72/27/198357227.db2.gz HHEBVBJHNHPLDW-YQQQUEKLSA-N 1 0 312.457 3.194 10 30 DGEERO C=CCC[C@@H](CC)[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189049424 200341370 /nfs/dbraw/zinc/34/13/70/200341370.db2.gz YTLBAEAKORFAAA-SJORKVTESA-N 1 0 304.409 3.261 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1 ZINC000449366529 240159480 /nfs/dbraw/zinc/15/94/80/240159480.db2.gz WYBUIKGZQANPHD-GOSISDBHSA-N 1 0 315.388 3.084 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000449365664 240159616 /nfs/dbraw/zinc/15/96/16/240159616.db2.gz UQOQGZWHHFSEKP-SFHVURJKSA-N 1 0 315.388 3.084 10 30 DGEERO CN1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091412138 193053156 /nfs/dbraw/zinc/05/31/56/193053156.db2.gz LZDRGQUDHRHMPO-UHFFFAOYSA-N 1 0 305.425 3.409 10 30 DGEERO Cn1cc([C@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)cn1 ZINC000135236155 432107446 /nfs/dbraw/zinc/10/74/46/432107446.db2.gz FQCPTTLGLQWSIB-HNNXBMFYSA-N 1 0 308.429 3.211 10 30 DGEERO CN(Cc1ccc(C#N)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000091932316 193128854 /nfs/dbraw/zinc/12/88/54/193128854.db2.gz BUUFMSUFFWCSNE-KRWDZBQOSA-N 1 0 309.413 3.248 10 30 DGEERO CN(Cc1ccc(C#N)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000091932314 193129218 /nfs/dbraw/zinc/12/92/18/193129218.db2.gz BUUFMSUFFWCSNE-QGZVFWFLSA-N 1 0 309.413 3.248 10 30 DGEERO N#CCCOCC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451916828 241275429 /nfs/dbraw/zinc/27/54/29/241275429.db2.gz LRHKZFGHAHWFMW-UHFFFAOYSA-N 1 0 308.372 3.150 10 30 DGEERO N#Cc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)o1 ZINC000092195420 193172193 /nfs/dbraw/zinc/17/21/93/193172193.db2.gz GKRVDFSUVDWGSU-UHFFFAOYSA-N 1 0 310.397 3.375 10 30 DGEERO CN(Cc1ccc(C#N)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336834 193232762 /nfs/dbraw/zinc/23/27/62/193232762.db2.gz CMIGESPBAGJBTC-KRWDZBQOSA-N 1 0 309.413 3.105 10 30 DGEERO CCSCC[C@H](C)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093870925 193320513 /nfs/dbraw/zinc/32/05/13/193320513.db2.gz QLSXSYOLFLXGNC-ZDUSSCGKSA-N 1 0 302.447 3.169 10 30 DGEERO Cc1cnn([C@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)c1 ZINC000171530100 432141519 /nfs/dbraw/zinc/14/15/19/432141519.db2.gz WGAVALAXJXICIG-SFHVURJKSA-N 1 0 324.428 3.169 10 30 DGEERO C=C(Br)COc1c(Cl)cc(CC[NH3+])cc1OC ZINC000037720099 182920069 /nfs/dbraw/zinc/92/00/69/182920069.db2.gz HHYBECHVCLKSJQ-UHFFFAOYSA-N 1 0 320.614 3.137 10 30 DGEERO CC[NH+](CC)CCN[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000037941084 182940629 /nfs/dbraw/zinc/94/06/29/182940629.db2.gz RRUDFMDXPIVTLL-ZDUSSCGKSA-N 1 0 300.233 3.489 10 30 DGEERO CCN(CCC#N)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955178 183321767 /nfs/dbraw/zinc/32/17/67/183321767.db2.gz NDDBQAACFAPVDN-BXUZGUMPSA-N 1 0 310.239 3.073 10 30 DGEERO CC(C)N(CCC#N)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021806 183329768 /nfs/dbraw/zinc/32/97/68/183329768.db2.gz WBKDYZBGKXUSFD-IUODEOHRSA-N 1 0 324.266 3.461 10 30 DGEERO CCn1ccnc1[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCOCC1 ZINC000284778162 218173742 /nfs/dbraw/zinc/17/37/42/218173742.db2.gz QEQXUVNSNFGFIV-GOSISDBHSA-N 1 0 324.428 3.032 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000105897140 194161681 /nfs/dbraw/zinc/16/16/81/194161681.db2.gz WTUSABCCTOHNHI-INIZCTEOSA-N 1 0 312.392 3.293 10 30 DGEERO C[C@H]([NH3+])Cc1cccc(Br)c1OCCCCC#N ZINC000049579253 183743996 /nfs/dbraw/zinc/74/39/96/183743996.db2.gz QZZTZCXQJAJLML-NSHDSACASA-N 1 0 311.223 3.411 10 30 DGEERO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)cc1 ZINC000268862834 207031953 /nfs/dbraw/zinc/03/19/53/207031953.db2.gz CCYLPQQOZSLFJB-ZIAGYGMSSA-N 1 0 320.824 3.149 10 30 DGEERO C=C[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCOC ZINC000062730168 184251567 /nfs/dbraw/zinc/25/15/67/184251567.db2.gz LQPIDOOIVPPGSD-LLVKDONJSA-N 1 0 314.223 3.138 10 30 DGEERO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(-n2ccnn2)cc1 ZINC000119871335 195053944 /nfs/dbraw/zinc/05/39/44/195053944.db2.gz HTHSXBJAOLMNJT-LBPRGKRZSA-N 1 0 309.398 3.051 10 30 DGEERO N#Cc1cc(CN2CCC(C[NH+]3CCCC3)CC2)ccc1F ZINC000119893568 195057206 /nfs/dbraw/zinc/05/72/06/195057206.db2.gz SFEMQIKWJNZYSC-UHFFFAOYSA-N 1 0 301.409 3.005 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-n2ccnn2)cc1 ZINC000119918530 195062828 /nfs/dbraw/zinc/06/28/28/195062828.db2.gz PROLBXLLWYTYRV-LBPRGKRZSA-N 1 0 309.398 3.051 10 30 DGEERO COc1ccc([C@@H](C)C[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000182199984 533096802 /nfs/dbraw/zinc/09/68/02/533096802.db2.gz HSZCNFLIPSZGNJ-HNNXBMFYSA-N 1 0 310.397 3.491 10 30 DGEERO Cc1cnc(CC[N@@H+](C)Cc2cn3ccccc3c2C#N)s1 ZINC000157524217 197193925 /nfs/dbraw/zinc/19/39/25/197193925.db2.gz HXIQNUNTTWTWBI-UHFFFAOYSA-N 1 0 310.426 3.250 10 30 DGEERO C=CCOC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(OC)cc2)O1 ZINC000247876646 257114906 /nfs/dbraw/zinc/11/49/06/257114906.db2.gz HDCBIOYQFFXWCH-FHWLQOOXSA-N 1 0 317.429 3.020 10 30 DGEERO COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H](C#N)C3)C2)c1 ZINC000248729887 533577752 /nfs/dbraw/zinc/57/77/52/533577752.db2.gz DDASOQUWVZJYSG-IKGGRYGDSA-N 1 0 313.445 3.336 10 30 DGEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000609625800 400182362 /nfs/dbraw/zinc/18/23/62/400182362.db2.gz CIIIUAOFQLZEEJ-BHIYHBOVSA-N 1 0 317.477 3.252 10 30 DGEERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1cccc(C#N)c1 ZINC000616633625 400189091 /nfs/dbraw/zinc/18/90/91/400189091.db2.gz OOJYRBZMNDTKIP-MRXNPFEDSA-N 1 0 315.417 3.220 10 30 DGEERO N#Cc1ncccc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000310258776 400133680 /nfs/dbraw/zinc/13/36/80/400133680.db2.gz PYWJMASMGWODBF-OKZBNKHCSA-N 1 0 318.424 3.276 10 30 DGEERO N#Cc1cc(Br)ccc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600962566 400195332 /nfs/dbraw/zinc/19/53/32/400195332.db2.gz GSEAUJCJLUEWKQ-MJHDQNEOSA-N 1 0 308.223 3.250 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000093742176 400253736 /nfs/dbraw/zinc/25/37/36/400253736.db2.gz QNDPUSDPMDGKOP-QGZVFWFLSA-N 1 0 302.462 3.415 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000610591652 400279418 /nfs/dbraw/zinc/27/94/18/400279418.db2.gz DYZXVEXKZZORAK-JOCHJYFZSA-N 1 0 315.438 3.279 10 30 DGEERO C=C(C)COc1cccc(NC(=O)[C@H]2CCC[N@H+]2CCC)c1 ZINC000589551562 400305494 /nfs/dbraw/zinc/30/54/94/400305494.db2.gz JJQBNZNVKKDEPF-QGZVFWFLSA-N 1 0 302.418 3.454 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC[C@@H]2CC)CC1 ZINC000120229882 400444128 /nfs/dbraw/zinc/44/41/28/400444128.db2.gz GJKHONHZVIVUBG-KRWDZBQOSA-N 1 0 307.482 3.391 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617975802 400495481 /nfs/dbraw/zinc/49/54/81/400495481.db2.gz DYNMVYIQHUGRQY-MRXNPFEDSA-N 1 0 315.461 3.012 10 30 DGEERO C=CCCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000076490993 400657717 /nfs/dbraw/zinc/65/77/17/400657717.db2.gz SHKILIDCVOMPTM-SFHVURJKSA-N 1 0 300.446 3.323 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076737918 400669182 /nfs/dbraw/zinc/66/91/82/400669182.db2.gz NKGORZINZAEXOF-LBPRGKRZSA-N 1 0 305.809 3.437 10 30 DGEERO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000619200287 400798118 /nfs/dbraw/zinc/79/81/18/400798118.db2.gz QJJKNDYVKLKRGF-GDBMZVCRSA-N 1 0 312.392 3.247 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000593613003 400880873 /nfs/dbraw/zinc/88/08/73/400880873.db2.gz FNWTUPPIDZACBG-HHXXYDBFSA-N 1 0 323.440 3.388 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+]CCc2nc(C(=O)OCC)cs2)C1 ZINC000593625477 400883570 /nfs/dbraw/zinc/88/35/70/400883570.db2.gz LGWAQPYWWKZRNK-OLZOCXBDSA-N 1 0 308.447 3.197 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000605737484 400884274 /nfs/dbraw/zinc/88/42/74/400884274.db2.gz FPBZJZYIKAORBB-IBGZPJMESA-N 1 0 318.461 3.407 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C1 ZINC000593636886 400884946 /nfs/dbraw/zinc/88/49/46/400884946.db2.gz OZDQYADBJPYLPK-CVEARBPZSA-N 1 0 323.477 3.459 10 30 DGEERO C=CC[NH+]1CCC(Nc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593460332 400854793 /nfs/dbraw/zinc/85/47/93/400854793.db2.gz DZUPPRQJIMJCAM-UHFFFAOYSA-N 1 0 312.373 3.205 10 30 DGEERO C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000624788555 400951932 /nfs/dbraw/zinc/95/19/32/400951932.db2.gz VSEJKLZFNMTTME-RDJZCZTQSA-N 1 0 305.466 3.001 10 30 DGEERO C=CC[C@H](CO)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000184273101 400902791 /nfs/dbraw/zinc/90/27/91/400902791.db2.gz BCVZLBRFBOBENI-CYBMUJFWSA-N 1 0 314.212 3.296 10 30 DGEERO CO[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1C ZINC000188320083 400907966 /nfs/dbraw/zinc/90/79/66/400907966.db2.gz FKVVQQZIZVADNC-YJBOKZPZSA-N 1 0 302.418 3.226 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237917226 400996674 /nfs/dbraw/zinc/99/66/74/400996674.db2.gz FKLRQADECQAFRU-ZDUSSCGKSA-N 1 0 300.324 3.044 10 30 DGEERO CCN(Cc1ccc(Cl)s1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594428384 401063921 /nfs/dbraw/zinc/06/39/21/401063921.db2.gz YOXBOEBKMVHYQD-GFCCVEGCSA-N 1 0 313.854 3.161 10 30 DGEERO C=CCCC1(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000594709134 401156531 /nfs/dbraw/zinc/15/65/31/401156531.db2.gz DUKHSGCLVGAMIP-QGZVFWFLSA-N 1 0 311.429 3.201 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1 ZINC000594961993 401210433 /nfs/dbraw/zinc/21/04/33/401210433.db2.gz CPMPHTTVMVZVJD-CEQIKUNHSA-N 1 0 307.459 3.031 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000600183481 401212256 /nfs/dbraw/zinc/21/22/56/401212256.db2.gz DYQWMASDNBVZQQ-CQSZACIVSA-N 1 0 305.418 3.319 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC000600186606 401213689 /nfs/dbraw/zinc/21/36/89/401213689.db2.gz RXURJNIYKHAJTN-LSDHHAIUSA-N 1 0 303.402 3.025 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000625703794 401187880 /nfs/dbraw/zinc/18/78/80/401187880.db2.gz PDNUGEXUBKSZDB-POAQFYNOSA-N 1 0 315.457 3.340 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000625705227 401188301 /nfs/dbraw/zinc/18/83/01/401188301.db2.gz SWPYXHUVCSVYGI-INIZCTEOSA-N 1 0 311.429 3.397 10 30 DGEERO C=CCN1CC[C@H]([NH2+]C(C)(C)c2ccc3ccccc3c2)C1=O ZINC000626116113 401304289 /nfs/dbraw/zinc/30/42/89/401304289.db2.gz QJFHEOBACGKVDH-SFHVURJKSA-N 1 0 308.425 3.451 10 30 DGEERO C=CC[C@H]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000626289446 401335861 /nfs/dbraw/zinc/33/58/61/401335861.db2.gz WEKAECACVMOJHJ-HNNXBMFYSA-N 1 0 317.433 3.057 10 30 DGEERO C=CC[C@H]1CCN(C(=O)N[C@@H](c2nccn2C)c2ccccc2)C1 ZINC000623399803 401508764 /nfs/dbraw/zinc/50/87/64/401508764.db2.gz AGKIJGXBYJKYGM-DOTOQJQBSA-N 1 0 324.428 3.117 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000623466174 401524084 /nfs/dbraw/zinc/52/40/84/401524084.db2.gz UQLYUSINLWYAED-IRXDYDNUSA-N 1 0 307.482 3.249 10 30 DGEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000623512649 401536636 /nfs/dbraw/zinc/53/66/36/401536636.db2.gz PJZUIQLKKWRVCI-DNVCBOLYSA-N 1 0 317.429 3.307 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)C1 ZINC000623828352 401584547 /nfs/dbraw/zinc/58/45/47/401584547.db2.gz VFNQZLJJZBCKLI-NZSAHSFTSA-N 1 0 303.446 3.289 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000628406342 401591821 /nfs/dbraw/zinc/59/18/21/401591821.db2.gz HXPKMEKOYIVVBT-DLBZAZTESA-N 1 0 300.446 3.310 10 30 DGEERO C=CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000628405378 401592232 /nfs/dbraw/zinc/59/22/32/401592232.db2.gz KKMKXUAHWSXDRJ-CYBMUJFWSA-N 1 0 311.385 3.203 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+]CC2=CCOCC2)cc1OC ZINC000623537392 401542409 /nfs/dbraw/zinc/54/24/09/401542409.db2.gz WRJHHSNRZKLTHQ-UHFFFAOYSA-N 1 0 323.820 3.350 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1cc2c(cc1OCCOC)OCO2 ZINC000623592319 401552191 /nfs/dbraw/zinc/55/21/91/401552191.db2.gz GTJOLYROGWXHNZ-UHFFFAOYSA-N 1 0 321.417 3.132 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000623626582 401558644 /nfs/dbraw/zinc/55/86/44/401558644.db2.gz ZHGIEYOLQSRUMK-HNNXBMFYSA-N 1 0 310.388 3.071 10 30 DGEERO C=CCOc1c(Cl)cc(C[N@H+](C)CCCCO)cc1OC ZINC000628249026 401559798 /nfs/dbraw/zinc/55/97/98/401559798.db2.gz MDSHRDKMJVUORE-UHFFFAOYSA-N 1 0 313.825 3.118 10 30 DGEERO C=CCC[C@H](CCC)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000624266773 401645146 /nfs/dbraw/zinc/64/51/46/401645146.db2.gz UYUUYDABQZJIRH-OALUTQOASA-N 1 0 317.477 3.007 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000628487861 401606789 /nfs/dbraw/zinc/60/67/89/401606789.db2.gz NGARYSVXKRDJSI-OAHLLOKOSA-N 1 0 307.397 3.285 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000628488889 401607231 /nfs/dbraw/zinc/60/72/31/401607231.db2.gz KLBLEAVLUBEMRQ-MRXNPFEDSA-N 1 0 313.445 3.031 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000624036904 401616652 /nfs/dbraw/zinc/61/66/52/401616652.db2.gz DAZAADZYTUILNH-HNNXBMFYSA-N 1 0 309.475 3.349 10 30 DGEERO C=C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000628965190 401651118 /nfs/dbraw/zinc/65/11/18/401651118.db2.gz KOKIXOJGUYEKQG-APWZRJJASA-N 1 0 312.457 3.479 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000136284155 432153111 /nfs/dbraw/zinc/15/31/11/432153111.db2.gz CHJDAONEMZTZAT-GFCCVEGCSA-N 1 0 312.344 3.319 10 30 DGEERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000190450892 432159182 /nfs/dbraw/zinc/15/91/82/432159182.db2.gz JTICCNFLDVEGPM-MRXNPFEDSA-N 1 0 324.403 3.051 10 30 DGEERO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000247024503 432192814 /nfs/dbraw/zinc/19/28/14/432192814.db2.gz YCXIPXNVGIWSPU-FGTMMUONSA-N 1 0 307.409 3.041 10 30 DGEERO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000182570142 432204713 /nfs/dbraw/zinc/20/47/13/432204713.db2.gz ZYCJJORTQOKBSO-CYBMUJFWSA-N 1 0 300.358 3.198 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000162499939 228258104 /nfs/dbraw/zinc/25/81/04/228258104.db2.gz ZUPFWBDZLSDING-KUHUBIRLSA-N 1 0 313.445 3.107 10 30 DGEERO COc1ccccc1N1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192784977 228554247 /nfs/dbraw/zinc/55/42/47/228554247.db2.gz ZEERRYVLPSOVIW-RDJZCZTQSA-N 1 0 313.445 3.336 10 30 DGEERO Cc1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1C#N ZINC000302627768 230323175 /nfs/dbraw/zinc/32/31/75/230323175.db2.gz IMAJRIJWXMLLOF-QGZVFWFLSA-N 1 0 312.461 3.354 10 30 DGEERO CC[NH+]1CCC(CCNc2nc(C)c(C#N)cc2Cl)CC1 ZINC000360053168 270004349 /nfs/dbraw/zinc/00/43/49/270004349.db2.gz RETYNTGPUCPZRW-UHFFFAOYSA-N 1 0 306.841 3.449 10 30 DGEERO C[C@@H](CCOCc1ccccc1)[NH2+]Cc1nc(C#N)cs1 ZINC000352936827 265239189 /nfs/dbraw/zinc/23/91/89/265239189.db2.gz KMASDRBFFDFIHS-ZDUSSCGKSA-N 1 0 301.415 3.100 10 30 DGEERO CC(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358558720 265798888 /nfs/dbraw/zinc/79/88/88/265798888.db2.gz DAMASSPLCQMYQE-AWEZNQCLSA-N 1 0 303.425 3.468 10 30 DGEERO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(C#N)cc1F ZINC000358569084 266965513 /nfs/dbraw/zinc/96/55/13/266965513.db2.gz LQKQGWKOSKNQBQ-CYBMUJFWSA-N 1 0 308.360 3.238 10 30 DGEERO COc1cccc2c1CC[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000489544531 274151147 /nfs/dbraw/zinc/15/11/47/274151147.db2.gz IMGRVZQMUDGSRA-UHFFFAOYSA-N 1 0 309.384 3.287 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281162081 275419327 /nfs/dbraw/zinc/41/93/27/275419327.db2.gz BOBUGGDPZZNOGG-QBIMZIAESA-N 1 0 305.393 3.392 10 30 DGEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000435745760 275420009 /nfs/dbraw/zinc/42/00/09/275420009.db2.gz QDVXOAJIMLEEQI-CZUORRHYSA-N 1 0 303.431 3.005 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415584520 277892220 /nfs/dbraw/zinc/89/22/20/277892220.db2.gz SUQFOUJYSSBQGQ-HNNXBMFYSA-N 1 0 301.434 3.412 10 30 DGEERO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C)c(OC)c1 ZINC000114475284 431392164 /nfs/dbraw/zinc/39/21/64/431392164.db2.gz IYWRALUOISOTJG-GDBMZVCRSA-N 1 0 321.461 3.188 10 30 DGEERO C=C(C)C[N@@H+](CC)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000114712610 431406231 /nfs/dbraw/zinc/40/62/31/431406231.db2.gz VGVJMUOXBQQWPM-SFHVURJKSA-N 1 0 316.445 3.257 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000076737846 431563269 /nfs/dbraw/zinc/56/32/69/431563269.db2.gz OZVBIODKITZPGG-GJZGRUSLSA-N 1 0 304.434 3.159 10 30 DGEERO Cc1cccc(N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)n1 ZINC000116924106 431537882 /nfs/dbraw/zinc/53/78/82/431537882.db2.gz IHRIEOLAVTVRMV-UHFFFAOYSA-N 1 0 306.413 3.020 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000076737672 431562895 /nfs/dbraw/zinc/56/28/95/431562895.db2.gz HKZAAZCXAQPQLB-OAHLLOKOSA-N 1 0 304.434 3.113 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000077544141 431608308 /nfs/dbraw/zinc/60/83/08/431608308.db2.gz QTCQTTOMBOBQBO-MRXNPFEDSA-N 1 0 307.413 3.036 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000122072610 431810587 /nfs/dbraw/zinc/81/05/87/431810587.db2.gz LMXWLOXEYKPDOS-MRXNPFEDSA-N 1 0 324.428 3.086 10 30 DGEERO C=CCc1cc(CN(C)C[C@H]2CCC[N@H+]2CC)cc(OC)c1O ZINC000123393817 431863722 /nfs/dbraw/zinc/86/37/22/431863722.db2.gz JNYDQDARIZVTEM-QGZVFWFLSA-N 1 0 318.461 3.045 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCc4ccccc43)n2c1 ZINC000123714902 431872045 /nfs/dbraw/zinc/87/20/45/431872045.db2.gz NVBNAKBPEVWTFV-MRXNPFEDSA-N 1 0 302.381 3.026 10 30 DGEERO N#C[C@@H]1CCC[C@@H]1NCc1cc(Br)cc2c1OCC2 ZINC000122406871 431831848 /nfs/dbraw/zinc/83/18/48/431831848.db2.gz MJTZZEUFHCNQFK-FZMZJTMJSA-N 1 0 321.218 3.166 10 30 DGEERO N#Cc1ccccc1OC[C@@H](c1ccccc1)N1CCC([NH3+])CC1 ZINC000085223901 431836644 /nfs/dbraw/zinc/83/66/44/431836644.db2.gz SQRNIOYQANFIKE-IBGZPJMESA-N 1 0 321.424 3.101 10 30 DGEERO C=CCCC[N@@H+](C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093533686 431915391 /nfs/dbraw/zinc/91/53/91/431915391.db2.gz LNOPZSCXUDVQNJ-UHFFFAOYSA-N 1 0 313.401 3.246 10 30 DGEERO C#CCOc1ccccc1C[N@H+](CC)CCc1nccs1 ZINC000093764620 431917972 /nfs/dbraw/zinc/91/79/72/431917972.db2.gz YTBQCYLIZBVVPP-UHFFFAOYSA-N 1 0 300.427 3.220 10 30 DGEERO Cc1ccc([C@H]2CCCCN2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000124709821 431902556 /nfs/dbraw/zinc/90/25/56/431902556.db2.gz OOIQGQBHXRURBF-QAPCUYQASA-N 1 0 317.433 3.170 10 30 DGEERO CC[C@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[NH+](C)C ZINC000091101574 431902895 /nfs/dbraw/zinc/90/28/95/431902895.db2.gz NNBFIGRRWIVNQJ-LJQANCHMSA-N 1 0 321.424 3.182 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CCNC(=O)c1ccc(C)cc1 ZINC000052041804 431954523 /nfs/dbraw/zinc/95/45/23/431954523.db2.gz NHQXUKJWBFDAFM-UHFFFAOYSA-N 1 0 324.424 3.079 10 30 DGEERO CCn1cc(C2CC[NH+](Cc3ccc(C#N)s3)CC2)cn1 ZINC000128120254 431987709 /nfs/dbraw/zinc/98/77/09/431987709.db2.gz JDFAYUGXSOAFQX-UHFFFAOYSA-N 1 0 300.431 3.216 10 30 DGEERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000151863143 432282734 /nfs/dbraw/zinc/28/27/34/432282734.db2.gz IBOKRHXXHADKSC-CRAIPNDOSA-N 1 0 321.424 3.496 10 30 DGEERO C=CCNC(=O)C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000191781532 432301581 /nfs/dbraw/zinc/30/15/81/432301581.db2.gz GXOYVUAASOJLAA-SFHVURJKSA-N 1 0 312.388 3.001 10 30 DGEERO C#CCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000248741571 432316685 /nfs/dbraw/zinc/31/66/85/432316685.db2.gz DROYADBBXMNHKW-DOTOQJQBSA-N 1 0 304.821 3.005 10 30 DGEERO CC1CCN(C(=O)C2CC[NH+](CC#Cc3ccccc3)CC2)CC1 ZINC000191951170 432319043 /nfs/dbraw/zinc/31/90/43/432319043.db2.gz MXPRVQQWUNRXMH-UHFFFAOYSA-N 1 0 324.468 3.009 10 30 DGEERO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cs1 ZINC000249456313 432348271 /nfs/dbraw/zinc/34/82/71/432348271.db2.gz NRHDSDYHZZXGGU-IAGOWNOFSA-N 1 0 313.426 3.194 10 30 DGEERO N#Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)ccn1 ZINC000192659714 432397620 /nfs/dbraw/zinc/39/76/20/432397620.db2.gz YIUBVUAPFSGARP-UHFFFAOYSA-N 1 0 320.396 3.191 10 30 DGEERO C=CCOc1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261635749 432437293 /nfs/dbraw/zinc/43/72/93/432437293.db2.gz DESQMCCPTNZLGP-VQTJNVASSA-N 1 0 308.425 3.178 10 30 DGEERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000193025331 432440924 /nfs/dbraw/zinc/44/09/24/432440924.db2.gz ZPBQXQOOPFSTNR-NVXWUHKLSA-N 1 0 303.450 3.216 10 30 DGEERO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccc(C#N)o1 ZINC000153584583 432422214 /nfs/dbraw/zinc/42/22/14/432422214.db2.gz JLALUUXPNAMXOV-HZPDHXFCSA-N 1 0 323.440 3.397 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000185307460 432488847 /nfs/dbraw/zinc/48/88/47/432488847.db2.gz UMDRGQWDGINFBA-CQSZACIVSA-N 1 0 324.415 3.457 10 30 DGEERO C=CCCCCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000193336035 432466990 /nfs/dbraw/zinc/46/69/90/432466990.db2.gz PAJZJJPCUPGCKT-LJQANCHMSA-N 1 0 302.462 3.084 10 30 DGEERO C=CCCCCC[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000193337150 432467002 /nfs/dbraw/zinc/46/70/02/432467002.db2.gz NDMQBLPKZPEYOB-OAHLLOKOSA-N 1 0 306.454 3.057 10 30 DGEERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)o1 ZINC000194413298 432549179 /nfs/dbraw/zinc/54/91/79/432549179.db2.gz JJAJALCVCUQTFN-LLVKDONJSA-N 1 0 303.387 3.201 10 30 DGEERO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000154896892 432526552 /nfs/dbraw/zinc/52/65/52/432526552.db2.gz YRHOURKCFRIMCT-LBPRGKRZSA-N 1 0 304.825 3.060 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000185919579 432546298 /nfs/dbraw/zinc/54/62/98/432546298.db2.gz KJZYOVIFJVRCGK-CVEARBPZSA-N 1 0 315.461 3.326 10 30 DGEERO FC(F)(F)c1ccc(C#CCN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000177276111 432606589 /nfs/dbraw/zinc/60/65/89/432606589.db2.gz MTOBQTZTMWYXNY-KRWDZBQOSA-N 1 0 322.374 3.227 10 30 DGEERO C[NH+](C)[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177281482 432607263 /nfs/dbraw/zinc/60/72/63/432607263.db2.gz YDAFTVRYZZGBSR-MRXNPFEDSA-N 1 0 310.363 3.083 10 30 DGEERO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000176983592 432573113 /nfs/dbraw/zinc/57/31/13/432573113.db2.gz CIMTYCQKUHJQIU-GDBMZVCRSA-N 1 0 314.458 3.360 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000186402457 432590804 /nfs/dbraw/zinc/59/08/04/432590804.db2.gz LEKXSYQNEBUWHA-YPMHNXCESA-N 1 0 314.223 3.132 10 30 DGEERO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCCO1 ZINC000156230980 432591379 /nfs/dbraw/zinc/59/13/79/432591379.db2.gz MVICZJRQGQLIPP-OAHLLOKOSA-N 1 0 313.319 3.048 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000186701777 432624166 /nfs/dbraw/zinc/62/41/66/432624166.db2.gz ZJEDGQGGFCANPN-GXSJLCMTSA-N 1 0 302.187 3.176 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186700453 432624424 /nfs/dbraw/zinc/62/44/24/432624424.db2.gz NUCGRGQYFCYPSJ-ZBFHGGJFSA-N 1 0 306.425 3.404 10 30 DGEERO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000195314867 432618126 /nfs/dbraw/zinc/61/81/26/432618126.db2.gz LXRKXEOXSZISGY-INIZCTEOSA-N 1 0 322.408 3.370 10 30 DGEERO Cc1ccccc1[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000158921717 432663583 /nfs/dbraw/zinc/66/35/83/432663583.db2.gz VBNRAUMPHVOXKY-INIZCTEOSA-N 1 0 306.413 3.145 10 30 DGEERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000187954573 432694772 /nfs/dbraw/zinc/69/47/72/432694772.db2.gz WNPSRYVUCMTSRV-KXBFYZLASA-N 1 0 300.446 3.471 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000160005370 432702599 /nfs/dbraw/zinc/70/25/99/432702599.db2.gz WQLVBOLJZSDANE-KRWDZBQOSA-N 1 0 324.428 3.163 10 30 DGEERO C=CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000188225142 432712744 /nfs/dbraw/zinc/71/27/44/432712744.db2.gz UYPRYXQTSFBOIN-NJAFHUGGSA-N 1 0 300.446 3.287 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000188691662 432740006 /nfs/dbraw/zinc/74/00/06/432740006.db2.gz RRHXLJNFFKOENS-UHFFFAOYSA-N 1 0 313.445 3.014 10 30 DGEERO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)cs1 ZINC000189784188 432819175 /nfs/dbraw/zinc/81/91/75/432819175.db2.gz NRHDSDYHZZXGGU-SJORKVTESA-N 1 0 313.426 3.194 10 30 DGEERO C#CCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245880408 432866834 /nfs/dbraw/zinc/86/68/34/432866834.db2.gz KGFJISMVSDNIDV-GUDVDZBRSA-N 1 0 311.425 3.136 10 30 DGEERO COc1ccc([C@H]2CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000246023990 432874580 /nfs/dbraw/zinc/87/45/80/432874580.db2.gz MTNIWHQSEWJDBJ-AZUAARDMSA-N 1 0 322.408 3.090 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245544881 432841779 /nfs/dbraw/zinc/84/17/79/432841779.db2.gz STYPWLLSOCBLHC-OLMNPRSZSA-N 1 0 300.402 3.121 10 30 DGEERO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000330258838 432901075 /nfs/dbraw/zinc/90/10/75/432901075.db2.gz MUKWMIAOWZYDEV-JLJPHGGASA-N 1 0 302.418 3.437 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1Cl ZINC000330268070 432901265 /nfs/dbraw/zinc/90/12/65/432901265.db2.gz QXXGEPKTIJRSBL-VQISRLSMSA-N 1 0 308.809 3.474 10 30 DGEERO Cc1cc(C)c2ncc(C#N)c(N3CCC4(CC[NH2+]4)CC3)c2c1 ZINC000333311545 433048168 /nfs/dbraw/zinc/04/81/68/433048168.db2.gz RWPOTLMPOBXJDQ-UHFFFAOYSA-N 1 0 306.413 3.056 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425015584 433077173 /nfs/dbraw/zinc/07/71/73/433077173.db2.gz VUEKZTPLQVTSGE-YTQUADARSA-N 1 0 312.457 3.322 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446711495 433083231 /nfs/dbraw/zinc/08/32/31/433083231.db2.gz MRJDKPJYXMTJMQ-PXNSSMCTSA-N 1 0 312.457 3.239 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446736446 433096082 /nfs/dbraw/zinc/09/60/82/433096082.db2.gz ULNVAUJJURYTGU-LJQANCHMSA-N 1 0 300.446 3.075 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453340847 433102644 /nfs/dbraw/zinc/10/26/44/433102644.db2.gz CQFRVAJNFGCVBN-QRQLOZEOSA-N 1 0 309.413 3.183 10 30 DGEERO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(C#N)cc1F ZINC000447600482 433243791 /nfs/dbraw/zinc/24/37/91/433243791.db2.gz MGWNNLHOUNUMFY-CJNGLKHVSA-N 1 0 301.409 3.365 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291680162 433310498 /nfs/dbraw/zinc/31/04/98/433310498.db2.gz GWDVQFBWCCFXHM-KGLIPLIRSA-N 1 0 318.383 3.240 10 30 DGEERO C=CCCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000448035778 433354244 /nfs/dbraw/zinc/35/42/44/433354244.db2.gz SGILPDBZQYZGHX-QGZVFWFLSA-N 1 0 315.461 3.259 10 30 DGEERO C=CCCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000448035777 433355860 /nfs/dbraw/zinc/35/58/60/433355860.db2.gz SGILPDBZQYZGHX-KRWDZBQOSA-N 1 0 315.461 3.259 10 30 DGEERO C(#Cc1ccccc1)C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361749074 433370339 /nfs/dbraw/zinc/37/03/39/433370339.db2.gz SEIFJTZPABWJHZ-UHFFFAOYSA-N 1 0 307.441 3.427 10 30 DGEERO C=CCCCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000447961238 433333441 /nfs/dbraw/zinc/33/34/41/433333441.db2.gz AWCOPVNTMBHKER-MRXNPFEDSA-N 1 0 315.461 3.477 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000448370492 433399307 /nfs/dbraw/zinc/39/93/07/433399307.db2.gz IPLCKAZTSYDGJS-INIZCTEOSA-N 1 0 317.429 3.021 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000375470973 433470904 /nfs/dbraw/zinc/47/09/04/433470904.db2.gz RLMKUAIXBSFTAX-YTQUADARSA-N 1 0 306.494 3.212 10 30 DGEERO CCCCc1nc2cc(NC(=O)c3ccc(C#N)n3C)ccc2[nH]1 ZINC000448808759 433558702 /nfs/dbraw/zinc/55/87/02/433558702.db2.gz FVTLFQGMOZSOAZ-UHFFFAOYSA-N 1 0 321.384 3.368 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCc4sccc43)n2c1 ZINC000160976100 292825218 /nfs/dbraw/zinc/82/52/18/292825218.db2.gz AUZIWAGPTOSQHB-HNNXBMFYSA-N 1 0 308.410 3.435 10 30 DGEERO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000376116514 433668846 /nfs/dbraw/zinc/66/88/46/433668846.db2.gz PRNZDUOVBHXFQP-CHWSQXEVSA-N 1 0 323.868 3.463 10 30 DGEERO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C ZINC000283355965 433710158 /nfs/dbraw/zinc/71/01/58/433710158.db2.gz MUDDAKPQBDIMHS-ZIAGYGMSSA-N 1 0 317.433 3.464 10 30 DGEERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)c1cccc(C#N)n1 ZINC000301871661 433771573 /nfs/dbraw/zinc/77/15/73/433771573.db2.gz WWLPKWCOJNLTNV-VQIMIIECSA-N 1 0 320.440 3.300 10 30 DGEERO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000301872978 433768844 /nfs/dbraw/zinc/76/88/44/433768844.db2.gz KYCUJCGSHAPASR-DOTOQJQBSA-N 1 0 312.804 3.464 10 30 DGEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000285100017 433919451 /nfs/dbraw/zinc/91/94/51/433919451.db2.gz LTKZOBPROUFCSN-QFBILLFUSA-N 1 0 306.409 3.238 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000416333430 434102666 /nfs/dbraw/zinc/10/26/66/434102666.db2.gz LMYXMKVPKPXFLV-AWEZNQCLSA-N 1 0 320.433 3.176 10 30 DGEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](CCc3ccccc3F)C2)n1 ZINC000328617274 434290713 /nfs/dbraw/zinc/29/07/13/434290713.db2.gz CPRNITDGFNUCSH-OAHLLOKOSA-N 1 0 316.380 3.120 10 30 DGEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3ccc(C)c(F)c3)C2)n1 ZINC000328636007 434292639 /nfs/dbraw/zinc/29/26/39/434292639.db2.gz VHGIYOHKDULOIF-HNNXBMFYSA-N 1 0 316.380 3.386 10 30 DGEERO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)CCC2 ZINC000328645070 434292704 /nfs/dbraw/zinc/29/27/04/434292704.db2.gz GGHDTVJJYCDFTD-CVEARBPZSA-N 1 0 318.465 3.290 10 30 DGEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3ccc(C)c(F)c3)C2)n1 ZINC000328636009 434293195 /nfs/dbraw/zinc/29/31/95/434293195.db2.gz VHGIYOHKDULOIF-OAHLLOKOSA-N 1 0 316.380 3.386 10 30 DGEERO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)Nc1ccccc1F ZINC000328714541 434300084 /nfs/dbraw/zinc/30/00/84/434300084.db2.gz SMYTVXXRHXHTCF-CYBMUJFWSA-N 1 0 305.353 3.045 10 30 DGEERO C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCCCNC1=O)c1cccs1 ZINC000328799669 434315696 /nfs/dbraw/zinc/31/56/96/434315696.db2.gz XUOQAYHJURNQFV-QWHCGFSZSA-N 1 0 323.462 3.454 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295429288 434361030 /nfs/dbraw/zinc/36/10/30/434361030.db2.gz OOIAOVYEVCPBBK-INIZCTEOSA-N 1 0 316.470 3.411 10 30 DGEERO Cc1cnn(CC2CC[NH+](CC(=O)NC3CCCCC3)CC2)c1 ZINC000329162121 434364480 /nfs/dbraw/zinc/36/44/80/434364480.db2.gz ZLHTYRXZCQFUEK-UHFFFAOYSA-N 1 0 318.465 3.193 10 30 DGEERO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358567097 434399950 /nfs/dbraw/zinc/39/99/50/434399950.db2.gz JFCNZTRDDVYUKH-OLZOCXBDSA-N 1 0 300.381 3.189 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000424173408 434643937 /nfs/dbraw/zinc/64/39/37/434643937.db2.gz PSRUXZGVPDANCQ-GTAWCEEGSA-N 1 0 314.473 3.220 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459642618 434645020 /nfs/dbraw/zinc/64/50/20/434645020.db2.gz SWOJUQPCEOPVHT-HNNXBMFYSA-N 1 0 309.413 3.463 10 30 DGEERO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424062605 434611541 /nfs/dbraw/zinc/61/15/41/434611541.db2.gz HCVSZFUPBZANKC-TVQRCGJNSA-N 1 0 314.216 3.192 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000424298745 434682043 /nfs/dbraw/zinc/68/20/43/434682043.db2.gz TVVSVXJZDWNKSL-UHOSZYNNSA-N 1 0 301.430 3.197 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000424298850 434682465 /nfs/dbraw/zinc/68/24/65/434682465.db2.gz UCSVCIDQKYGENK-UGSOOPFHSA-N 1 0 322.399 3.114 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000424298760 434684026 /nfs/dbraw/zinc/68/40/26/434684026.db2.gz TWWCSWXLKFTRRQ-KMFMINBZSA-N 1 0 304.390 3.097 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000424300257 434686369 /nfs/dbraw/zinc/68/63/69/434686369.db2.gz XGAXVQYOKYLFJZ-LJHODMEESA-N 1 0 311.429 3.422 10 30 DGEERO C=CCN(Cc1ccccc1)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000460228205 434750270 /nfs/dbraw/zinc/75/02/70/434750270.db2.gz MSDACDJNZVNBOA-UHFFFAOYSA-N 1 0 313.445 3.036 10 30 DGEERO C=CCC1(C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCOCC1 ZINC000424648084 434769461 /nfs/dbraw/zinc/76/94/61/434769461.db2.gz VRGQQGUWRZTWTO-UHFFFAOYSA-N 1 0 316.445 3.102 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000554597312 434938259 /nfs/dbraw/zinc/93/82/59/434938259.db2.gz NDNBWMCPIIKCRQ-GFCCVEGCSA-N 1 0 312.866 3.258 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000523583132 434954236 /nfs/dbraw/zinc/95/42/36/434954236.db2.gz WDNAWCIIHBACNF-INIZCTEOSA-N 1 0 318.848 3.330 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000527889535 435015716 /nfs/dbraw/zinc/01/57/16/435015716.db2.gz FMWRYSJBKLCFMV-BDAKNGLRSA-N 1 0 320.177 3.315 10 30 DGEERO C=CCc1cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc(OC)c1O ZINC000527804173 435015767 /nfs/dbraw/zinc/01/57/67/435015767.db2.gz NINAYEULXXXQKU-LKQDWFRTSA-N 1 0 305.418 3.031 10 30 DGEERO C=CCOc1cccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000527810012 435016057 /nfs/dbraw/zinc/01/60/57/435016057.db2.gz TUBDZUJBWRTWOP-SFHVURJKSA-N 1 0 300.446 3.358 10 30 DGEERO C=C[C@H](CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000574813946 435003080 /nfs/dbraw/zinc/00/30/80/435003080.db2.gz RXBQYPSZVVGFCD-NZSAHSFTSA-N 1 0 312.457 3.337 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530232586 435043977 /nfs/dbraw/zinc/04/39/77/435043977.db2.gz KUVRREWYEHRPOA-NUVZVAJJSA-N 1 0 315.457 3.256 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575896294 435052444 /nfs/dbraw/zinc/05/24/44/435052444.db2.gz JFJYOTCEGZIDPE-FUHWJXTLSA-N 1 0 315.461 3.257 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C(C)C)cc1 ZINC000584094999 435274341 /nfs/dbraw/zinc/27/43/41/435274341.db2.gz UPTGPQAUCJKSKP-SJORKVTESA-N 1 0 302.418 3.072 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000567403714 435315500 /nfs/dbraw/zinc/31/55/00/435315500.db2.gz RAKVROYLOYOFEU-HZPDHXFCSA-N 1 0 304.438 3.222 10 30 DGEERO C=CCCCCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000568184756 435403461 /nfs/dbraw/zinc/40/34/61/435403461.db2.gz HSGNJEUZSLHGPN-UHFFFAOYSA-N 1 0 321.440 3.433 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000537650071 435460247 /nfs/dbraw/zinc/46/02/47/435460247.db2.gz AVUFFGMUNFYILZ-QGZVFWFLSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCCCCC[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000569116974 435505907 /nfs/dbraw/zinc/50/59/07/435505907.db2.gz KYHMJIKFUKCGSO-MRXNPFEDSA-N 1 0 309.475 3.493 10 30 DGEERO C=CCCCCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000569184170 435510026 /nfs/dbraw/zinc/51/00/26/435510026.db2.gz JDAWJKJSBRVHKA-AWEZNQCLSA-N 1 0 310.463 3.455 10 30 DGEERO C=CCCCCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000517169769 435579832 /nfs/dbraw/zinc/57/98/32/435579832.db2.gz BPFKKTQRHCBXSG-MRXNPFEDSA-N 1 0 307.482 3.249 10 30 DGEERO C=CCCCCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000517169766 435580156 /nfs/dbraw/zinc/58/01/56/435580156.db2.gz BPFKKTQRHCBXSG-INIZCTEOSA-N 1 0 307.482 3.249 10 30 DGEERO CC[NH+](CC)CCCC1CCN(c2ccncc2C#N)CC1 ZINC000564269994 315165664 /nfs/dbraw/zinc/16/56/64/315165664.db2.gz HJGLHIYTMYXDEO-UHFFFAOYSA-N 1 0 300.450 3.292 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC000182014837 323279458 /nfs/dbraw/zinc/27/94/58/323279458.db2.gz DXLXJTQCWWECBV-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO C[C@@H]1CCCCN1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237680415 332384980 /nfs/dbraw/zinc/38/49/80/332384980.db2.gz ZTZAMFSVUPUSMO-QGZVFWFLSA-N 1 0 315.461 3.333 10 30 DGEERO C=CCCCC[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000580282400 333056809 /nfs/dbraw/zinc/05/68/09/333056809.db2.gz NCCSYKJFEGDJEB-INIZCTEOSA-N 1 0 301.434 3.397 10 30 DGEERO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000295207134 335131043 /nfs/dbraw/zinc/13/10/43/335131043.db2.gz LPTIJGSTVFTCCE-HNNXBMFYSA-N 1 0 320.458 3.060 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000521425083 333380936 /nfs/dbraw/zinc/38/09/36/333380936.db2.gz HQIXRGHALXTTGR-GOSISDBHSA-N 1 0 318.436 3.257 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000303753541 334330233 /nfs/dbraw/zinc/33/02/33/334330233.db2.gz MJWYJFKWRHSDTF-QGZVFWFLSA-N 1 0 300.446 3.058 10 30 DGEERO CC[NH+](CC)[C@H](C(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000356969196 336567760 /nfs/dbraw/zinc/56/77/60/336567760.db2.gz HOLXZFDFXHAYCC-KRWDZBQOSA-N 1 0 313.445 3.222 10 30 DGEERO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000077465987 337580504 /nfs/dbraw/zinc/58/05/04/337580504.db2.gz AMJVXIRZLKVPLM-WMZOPIPTSA-N 1 0 302.418 3.010 10 30 DGEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC000527701801 337757630 /nfs/dbraw/zinc/75/76/30/337757630.db2.gz AMWJCBBEGCLMAG-SCLBCKFNSA-N 1 0 323.408 3.304 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCCC)c1 ZINC000424166193 337789688 /nfs/dbraw/zinc/78/96/88/337789688.db2.gz BWCSNWIXAQVZJK-HOTGVXAUSA-N 1 0 305.418 3.165 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000505035346 340159424 /nfs/dbraw/zinc/15/94/24/340159424.db2.gz LMFQJLOJZTVNTB-QGZVFWFLSA-N 1 0 311.429 3.283 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000509566339 340273668 /nfs/dbraw/zinc/27/36/68/340273668.db2.gz DYVIFFPHRNSQGY-GJZGRUSLSA-N 1 0 307.438 3.316 10 30 DGEERO C=CCNC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000539682067 340895789 /nfs/dbraw/zinc/89/57/89/340895789.db2.gz ZLZFBDWPOBQZCM-SFHVURJKSA-N 1 0 300.446 3.070 10 30 DGEERO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542248779 341001834 /nfs/dbraw/zinc/00/18/34/341001834.db2.gz WQGZDCYUPTUBOS-JKSUJKDBSA-N 1 0 303.450 3.006 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000542323637 341005141 /nfs/dbraw/zinc/00/51/41/341005141.db2.gz WDVZMYQQSNZPLV-HKUYNNGSSA-N 1 0 312.457 3.373 10 30 DGEERO C=CCN(Cc1ccccc1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542787605 341020666 /nfs/dbraw/zinc/02/06/66/341020666.db2.gz PHDHETGXWPUHHB-UHFFFAOYSA-N 1 0 309.413 3.123 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000545272421 341118499 /nfs/dbraw/zinc/11/84/99/341118499.db2.gz HAILSMWVONNSQQ-RHSMWYFYSA-N 1 0 304.434 3.054 10 30 DGEERO C=C(C)COCC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000134507090 341216621 /nfs/dbraw/zinc/21/66/21/341216621.db2.gz WDDWXDCPPCBAGX-UHFFFAOYSA-N 1 0 303.324 3.310 10 30 DGEERO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000249274995 341395653 /nfs/dbraw/zinc/39/56/53/341395653.db2.gz LQOMNSPZZUPOMN-RYQLBKOJSA-N 1 0 300.446 3.191 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000121138468 500574654 /nfs/dbraw/zinc/57/46/54/500574654.db2.gz KEDFSRRHLSFHDH-UHFFFAOYSA-N 1 0 303.431 3.157 10 30 DGEERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302218382 533745120 /nfs/dbraw/zinc/74/51/20/533745120.db2.gz QNWDEBLKXCLCHS-AWEZNQCLSA-N 1 0 324.384 3.399 10 30 DGEERO C=C(CC)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494277499 534419997 /nfs/dbraw/zinc/41/99/97/534419997.db2.gz RNYJVHMLFMNMEC-HOCLYGCPSA-N 1 0 310.800 3.307 10 30 DGEERO Fc1ccc(C#CC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000130362152 534463141 /nfs/dbraw/zinc/46/31/41/534463141.db2.gz VORSMJICJWHYMR-QGZVFWFLSA-N 1 0 309.388 3.006 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000459054728 534598104 /nfs/dbraw/zinc/59/81/04/534598104.db2.gz SPJKFRCWGMWKFZ-JKSUJKDBSA-N 1 0 307.482 3.247 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CCCC1 ZINC000459055328 534600122 /nfs/dbraw/zinc/60/01/22/534600122.db2.gz UYQLXNFDQZFTEX-SJORKVTESA-N 1 0 321.509 3.495 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+]CCCCCn1c(C)nc2ccccc21 ZINC000451612068 534609173 /nfs/dbraw/zinc/60/91/73/534609173.db2.gz KBVSTKAVQJNCBO-MJGOQNOKSA-N 1 0 313.445 3.448 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000449523280 534610117 /nfs/dbraw/zinc/61/01/17/534610117.db2.gz XGBHRSMHWNZCEP-OLMNPRSZSA-N 1 0 316.445 3.460 10 30 DGEERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157964685 523523894 /nfs/dbraw/zinc/52/38/94/523523894.db2.gz MBDWBCDQVNGTNE-CQSZACIVSA-N 1 0 313.426 3.403 10 30 DGEERO [NH2+]=C(NC[C@@H](c1cccs1)N1CCCC1)NC1CCCCC1 ZINC000262379949 534834249 /nfs/dbraw/zinc/83/42/49/534834249.db2.gz XRJXPQYYFKZHKG-HNNXBMFYSA-N 1 0 320.506 3.122 10 30 DGEERO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000472461891 534838547 /nfs/dbraw/zinc/83/85/47/534838547.db2.gz JSUJYYGWDPNIJL-QGZVFWFLSA-N 1 0 317.477 3.157 10 30 DGEERO CC#CCC[N@@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000156636662 526306386 /nfs/dbraw/zinc/30/63/86/526306386.db2.gz MKNNFDJIPVHSGT-UHFFFAOYSA-N 1 0 314.477 3.188 10 30 DGEERO C=CCN1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337168551 526485556 /nfs/dbraw/zinc/48/55/56/526485556.db2.gz BRUJZEOTWPABQY-CVEARBPZSA-N 1 0 304.821 3.168 10 30 DGEERO C=CCN1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000337179039 526514676 /nfs/dbraw/zinc/51/46/76/526514676.db2.gz KYCKHHUPINTGGT-YGRLFVJLSA-N 1 0 313.228 3.431 10 30 DGEERO C=CC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429354013 526678197 /nfs/dbraw/zinc/67/81/97/526678197.db2.gz LPAOHBHAEXNLDS-LPHOPBHVSA-N 1 0 313.372 3.352 10 30 DGEERO C#CCCCCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365767323 526687116 /nfs/dbraw/zinc/68/71/16/526687116.db2.gz XZBKIRZJVYXYDM-PMACEKPBSA-N 1 0 324.468 3.161 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000185396495 526699944 /nfs/dbraw/zinc/69/99/44/526699944.db2.gz ITFJLQKQOLKZDU-ZBFHGGJFSA-N 1 0 304.434 3.443 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000185143324 526706463 /nfs/dbraw/zinc/70/64/63/526706463.db2.gz KHAJGDVYJSAODM-INIZCTEOSA-N 1 0 313.445 3.051 10 30 DGEERO C=CCOCCN(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000338956373 526768342 /nfs/dbraw/zinc/76/83/42/526768342.db2.gz XVVSLBRWRWSOTI-MJGOQNOKSA-N 1 0 302.462 3.346 10 30 DGEERO C=CCOCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339205430 526782010 /nfs/dbraw/zinc/78/20/10/526782010.db2.gz VYOXDFDGVPXVHZ-HZPDHXFCSA-N 1 0 312.816 3.017 10 30 DGEERO C=CCOCC[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000339119459 526782247 /nfs/dbraw/zinc/78/22/47/526782247.db2.gz SLMYGZMUKJOIHA-NSHDSACASA-N 1 0 314.223 3.311 10 30 DGEERO C=C(CNC(=O)NCC1CC[NH+](CCC)CC1)c1ccccc1 ZINC000352557338 526870194 /nfs/dbraw/zinc/87/01/94/526870194.db2.gz MMWUOXIMVJMGPD-UHFFFAOYSA-N 1 0 315.461 3.121 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000352899787 526887620 /nfs/dbraw/zinc/88/76/20/526887620.db2.gz DZZDNEWVNBJZJX-UHFFFAOYSA-N 1 0 318.380 3.061 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000355202352 526933388 /nfs/dbraw/zinc/93/33/88/526933388.db2.gz CTQSFRMXZGGGGY-SJLPKXTDSA-N 1 0 300.446 3.168 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000349040649 526934157 /nfs/dbraw/zinc/93/41/57/526934157.db2.gz UZYLYBSZTNUUIS-AEFFLSMTSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCSCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000180457474 527006211 /nfs/dbraw/zinc/00/62/11/527006211.db2.gz ITBRDMHKQXLFNS-GFCCVEGCSA-N 1 0 308.447 3.223 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000349835118 527102292 /nfs/dbraw/zinc/10/22/92/527102292.db2.gz OPAPLYYJCLYATG-YOEHRIQHSA-N 1 0 319.449 3.148 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000415586899 527259447 /nfs/dbraw/zinc/25/94/47/527259447.db2.gz WDSKAXFACKSLBH-HNNXBMFYSA-N 1 0 301.434 3.494 10 30 DGEERO C=CCC[C@H]([NH2+][C@@H]1C[C@H](OCC)[C@H]1n1cccn1)c1ccco1 ZINC000340532602 527488474 /nfs/dbraw/zinc/48/84/74/527488474.db2.gz KUBBHZWSGAQZAX-MVJTYMMSSA-N 1 0 315.417 3.492 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000424292706 527499203 /nfs/dbraw/zinc/49/92/03/527499203.db2.gz HEJFNFUNTIHXCU-ALKREAHSSA-N 1 0 311.429 3.329 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000424295167 527499358 /nfs/dbraw/zinc/49/93/58/527499358.db2.gz MIENKHSGVGHQQP-OHFALNGGSA-N 1 0 319.445 3.377 10 30 DGEERO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000135654812 527572655 /nfs/dbraw/zinc/57/26/55/527572655.db2.gz AYEBZEPXHQIAJQ-LZLYRXPVSA-N 1 0 300.446 3.287 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000429305861 527632608 /nfs/dbraw/zinc/63/26/08/527632608.db2.gz GZMPBPMDCSTRBG-KRWDZBQOSA-N 1 0 300.446 3.324 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cscc1C#N)C(C)C ZINC000340302946 527650005 /nfs/dbraw/zinc/65/00/05/527650005.db2.gz RNHBXZQYSQKLKR-MRXNPFEDSA-N 1 0 317.458 3.048 10 30 DGEERO CCC[NH+]1CCC(CNC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178536447 528186646 /nfs/dbraw/zinc/18/66/46/528186646.db2.gz YDPXTLFIILQYDX-UHFFFAOYSA-N 1 0 314.433 3.110 10 30 DGEERO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000093863689 545857982 /nfs/dbraw/zinc/85/79/82/545857982.db2.gz GUQVRSSPKNPMAO-SFHVURJKSA-N 1 0 311.429 3.494 10 30 DGEERO C=CCOc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000129353627 545941347 /nfs/dbraw/zinc/94/13/47/545941347.db2.gz ROZKPNQRZGHJGI-MJGOQNOKSA-N 1 0 301.430 3.378 10 30 DGEERO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCCC[C@H]2CCO)c1C ZINC000342042815 546553989 /nfs/dbraw/zinc/55/39/89/546553989.db2.gz YMTKFVQDKNFITL-KRWDZBQOSA-N 1 0 318.461 3.101 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000349761539 546603745 /nfs/dbraw/zinc/60/37/45/546603745.db2.gz YHHKWGJASBEWPF-ZFWWWQNUSA-N 1 0 310.235 3.353 10 30 DGEERO CCC(C#N)(CC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390796836 546755114 /nfs/dbraw/zinc/75/51/14/546755114.db2.gz KFPFTLJGWKYBPS-QGZVFWFLSA-N 1 0 313.445 3.049 10 30 DGEERO C#CCCNC(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000733656990 574633394 /nfs/dbraw/zinc/63/33/94/574633394.db2.gz DQTDYNUGMCIYPC-MRXNPFEDSA-N 1 0 315.461 3.219 10 30 DGEERO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000734364890 574658011 /nfs/dbraw/zinc/65/80/11/574658011.db2.gz JSPCHNZPNOPEOP-CQSZACIVSA-N 1 0 309.417 3.095 10 30 DGEERO C#CCSCCNc1cc(C)[nH+]c2ccc(OC(F)F)cc12 ZINC000740869406 574944063 /nfs/dbraw/zinc/94/40/63/574944063.db2.gz PRHCGSYPSSJJFS-UHFFFAOYSA-N 1 0 322.380 3.345 10 30 DGEERO COc1ccc(C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)cc1C#N ZINC000742372147 574993379 /nfs/dbraw/zinc/99/33/79/574993379.db2.gz SMMHCFRFWQLLBJ-ROUUACIJSA-N 1 0 316.445 3.496 10 30 DGEERO C=CCSc1nc2ccccc2n1C[N@H+](C)C[C@H]1CCCO1 ZINC000738061016 576076593 /nfs/dbraw/zinc/07/65/93/576076593.db2.gz JLCYHXSEDVYPLB-CQSZACIVSA-N 1 0 317.458 3.383 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2cccc(Cn3cccn3)c2)c1 ZINC000104177325 617962512 /nfs/dbraw/zinc/96/25/12/617962512.db2.gz VDMYJSVYJLRPMV-UHFFFAOYSA-N 1 0 319.412 3.167 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccnc(N3CCCCC3)c2)c1 ZINC000104160048 617962849 /nfs/dbraw/zinc/96/28/49/617962849.db2.gz FRLPVZDZRBANOD-UHFFFAOYSA-N 1 0 323.444 3.307 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@](C)(O)c2cccs2)cc1 ZINC000152992393 620531013 /nfs/dbraw/zinc/53/10/13/620531013.db2.gz UTZQRVSTMUXLHV-KRWDZBQOSA-N 1 0 303.427 3.310 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CSc2ccccc21 ZINC000121669422 622170773 /nfs/dbraw/zinc/17/07/73/622170773.db2.gz ZSXLIWQMEZREMC-GDBMZVCRSA-N 1 0 317.454 3.153 10 30 DGEERO C#CCOc1ccccc1C[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000122916876 622428745 /nfs/dbraw/zinc/42/87/45/622428745.db2.gz IRUVKSZRCJCVKS-SFHVURJKSA-N 1 0 323.440 3.295 10 30 DGEERO C=CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000700818346 660637386 /nfs/dbraw/zinc/63/73/86/660637386.db2.gz CONKHZSGBKZQRM-MQVJKMGUSA-N 1 0 324.465 3.099 10 30 DGEERO C#CCCC[NH2+][C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000709393749 660928118 /nfs/dbraw/zinc/92/81/18/660928118.db2.gz VMAQYMWZRVZCRQ-WCVJEAGWSA-N 1 0 306.450 3.166 10 30 DGEERO C=C[C@](C)(CCOC)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187602062 655553134 /nfs/dbraw/zinc/55/31/34/655553134.db2.gz HRNYCDDIPPUNMZ-PKOBYXMFSA-N 1 0 317.429 3.033 10 30 DGEERO CCOc1cccc(/C=N\C2CCC(C[NH+](C)C)CC2)c1O ZINC000255218690 655658695 /nfs/dbraw/zinc/65/86/95/655658695.db2.gz UVOIIARPVKRTRX-UNOMPAQXSA-N 1 0 304.434 3.330 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712434510 661188727 /nfs/dbraw/zinc/18/87/27/661188727.db2.gz LVOMUAZCDUGXAQ-YPMHNXCESA-N 1 0 312.255 3.407 10 30 DGEERO CCSc1cc(CNC(=[NH2+])Nc2cccc(C)c2)ccn1 ZINC000262454286 655861326 /nfs/dbraw/zinc/86/13/26/655861326.db2.gz SQJIZGZYCCRJEU-UHFFFAOYSA-N 1 0 300.431 3.429 10 30 DGEERO COc1ccccc1/C=C\C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000255888579 655955647 /nfs/dbraw/zinc/95/56/47/655955647.db2.gz RVGYAFMFWAFEDA-XQRVVYSFSA-N 1 0 308.381 3.401 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000181155265 655973993 /nfs/dbraw/zinc/97/39/93/655973993.db2.gz HHYZWTXWDYWVHK-CQSZACIVSA-N 1 0 308.381 3.223 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Cl)nc1 ZINC000181156531 655974014 /nfs/dbraw/zinc/97/40/14/655974014.db2.gz KDLQQBNOQCERCY-LBPRGKRZSA-N 1 0 301.777 3.336 10 30 DGEERO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181796317 656100821 /nfs/dbraw/zinc/10/08/21/656100821.db2.gz MPNOHTJJRMLEIB-YJBOKZPZSA-N 1 0 304.434 3.427 10 30 DGEERO C#CC[C@H](COC)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000716965222 661236484 /nfs/dbraw/zinc/23/64/84/661236484.db2.gz UDVCWTSRWMWJRN-OGVSOVDVSA-N 1 0 322.246 3.323 10 30 DGEERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000299984117 656230695 /nfs/dbraw/zinc/23/06/95/656230695.db2.gz GODSWTNKNSVMMI-WCVJEAGWSA-N 1 0 321.465 3.446 10 30 DGEERO C[NH+]=C(NCC1(C2CC2)CCC1)N[C@H]1CCOc2ccccc21 ZINC000261957976 657257755 /nfs/dbraw/zinc/25/77/55/657257755.db2.gz ZWGBTCKLVRWVIB-INIZCTEOSA-N 1 0 313.445 3.256 10 30 DGEERO CC1(C)CCC[C@](O)(CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262286965 657492011 /nfs/dbraw/zinc/49/20/11/657492011.db2.gz MRXQEDPSYWERQN-MRXNPFEDSA-N 1 0 311.376 3.023 10 30 DGEERO CC(C)Oc1ccc(CNC(=[NH2+])NCCc2cccs2)cc1 ZINC000303772893 657560484 /nfs/dbraw/zinc/56/04/84/657560484.db2.gz DUTRKGHEXFHYOQ-UHFFFAOYSA-N 1 0 317.458 3.182 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccc(OCC3CC3)nc2)c1 ZINC000303903015 657577284 /nfs/dbraw/zinc/57/72/84/657577284.db2.gz YDADZRNKJWMYNU-UHFFFAOYSA-N 1 0 310.401 3.106 10 30 DGEERO COc1ccc(C[C@H](C)CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000305720287 657973983 /nfs/dbraw/zinc/97/39/83/657973983.db2.gz WBCYQPXALFKQJN-AWEZNQCLSA-N 1 0 303.450 3.111 10 30 DGEERO C[NH+]=C(NCCc1sc(C)nc1C)N[C@H](C)c1ccc(C)o1 ZINC000262745219 658004870 /nfs/dbraw/zinc/00/48/70/658004870.db2.gz ABRRJMJYJHJFCZ-LLVKDONJSA-N 1 0 320.462 3.130 10 30 DGEERO [NH2+]=C(NC[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000263101254 658133832 /nfs/dbraw/zinc/13/38/32/658133832.db2.gz JZMOKTGCRAZPMF-RYQLBKOJSA-N 1 0 321.424 3.218 10 30 DGEERO CC1(C)[C@@H]([NH2+]Cc2cncc(C#N)c2)C[C@@H]1OCc1ccccc1 ZINC000721599085 658740214 /nfs/dbraw/zinc/74/02/14/658740214.db2.gz YFLNWMVKJHJEHQ-OALUTQOASA-N 1 0 321.424 3.427 10 30 DGEERO C=CCc1cc(OC)cc(CN(C)C[C@@H]2CCC[N@H+]2CC)c1O ZINC000164445859 658935475 /nfs/dbraw/zinc/93/54/75/658935475.db2.gz FFRVGERJAKLPLA-KRWDZBQOSA-N 1 0 318.461 3.045 10 30 DGEERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000227261027 659149939 /nfs/dbraw/zinc/14/99/39/659149939.db2.gz DKXFIJNXXGZKJW-QLFBSQMISA-N 1 0 307.438 3.058 10 30 DGEERO CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000230974033 659361962 /nfs/dbraw/zinc/36/19/62/659361962.db2.gz IOLQSCPJTABZNX-KBPBESRZSA-N 1 0 309.454 3.304 10 30 DGEERO Fc1cccc(C[NH2+]CCOC(F)(F)C(F)(F)F)c1F ZINC000720258119 662307649 /nfs/dbraw/zinc/30/76/49/662307649.db2.gz BWLRLMSZDGLIHQ-UHFFFAOYSA-N 1 0 305.193 3.226 10 30 DGEERO CC[N@H+](CCc1nccs1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000093764516 662359593 /nfs/dbraw/zinc/35/95/93/662359593.db2.gz UFWYJMGANUCRKB-CQSZACIVSA-N 1 0 315.442 3.499 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000227681755 685118784 /nfs/dbraw/zinc/11/87/84/685118784.db2.gz OHTZEYSEPDSIKS-CQSZACIVSA-N 1 0 320.433 3.254 10 30 DGEERO C=CCSCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399094962 1176255034 /nfs/dbraw/zinc/25/50/34/1176255034.db2.gz XYNXQAKKWDSSJU-KBPBESRZSA-N 1 0 314.495 3.283 10 30 DGEERO N#Cc1ccc(Br)cc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229384173 1176584837 /nfs/dbraw/zinc/58/48/37/1176584837.db2.gz OOVJOXIUQJOSHZ-ZFWWWQNUSA-N 1 0 320.234 3.359 10 30 DGEERO CCC[N@@H+]1CC[C@@H](Nc2cc(Br)ccc2C#N)C1 ZINC000328454660 1176640382 /nfs/dbraw/zinc/64/03/82/1176640382.db2.gz FAEFDVNHLNDPEP-CYBMUJFWSA-N 1 0 308.223 3.217 10 30 DGEERO N#Cc1ccc(Br)cc1NCCC[NH+]1CCCC1 ZINC000123259528 1199380877 /nfs/dbraw/zinc/38/08/77/1199380877.db2.gz DPLUSBOPJAUNQA-UHFFFAOYSA-N 1 0 308.223 3.219 10 30 DGEERO C=CCSCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401712648 1199415999 /nfs/dbraw/zinc/41/59/99/1199415999.db2.gz FMHDQFSNRRDPDH-ZIAGYGMSSA-N 1 0 314.495 3.141 10 30 DGEERO C=CCSCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404778571 1199584550 /nfs/dbraw/zinc/58/45/50/1199584550.db2.gz BHEYLSFLPMDAFR-CHWSQXEVSA-N 1 0 314.495 3.187 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@H]2CCCO2)cc1OC ZINC000119798800 1200118725 /nfs/dbraw/zinc/11/87/25/1200118725.db2.gz HINWVKZXOVNBOE-JKSUJKDBSA-N 1 0 305.418 3.307 10 30 DGEERO CC[NH+](CC)CCCNc1cc(Br)ccc1C#N ZINC000123081988 1200273934 /nfs/dbraw/zinc/27/39/34/1200273934.db2.gz LVTWTXIKWQEUEE-UHFFFAOYSA-N 1 0 310.239 3.465 10 30 DGEERO CC(C)C[NH+]1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000228703189 1201178747 /nfs/dbraw/zinc/17/87/47/1201178747.db2.gz MBZWJCTWUZZDOM-UHFFFAOYSA-N 1 0 322.250 3.099 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc(OC)c1O ZINC000157145850 1202601951 /nfs/dbraw/zinc/60/19/51/1202601951.db2.gz YUAATPPPKOBFFC-IAGOWNOFSA-N 1 0 317.429 3.177 10 30 DGEERO C=CCc1cc(C[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc(OC)c1O ZINC000159074702 1202604433 /nfs/dbraw/zinc/60/44/33/1202604433.db2.gz IZFUNSMUZDUIDP-SFHVURJKSA-N 1 0 321.461 3.262 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000236686680 1202620861 /nfs/dbraw/zinc/62/08/61/1202620861.db2.gz HDOFTBQAKYPUIJ-KRWDZBQOSA-N 1 0 322.408 3.147 10 30 DGEERO CCOc1ccc(/C=C\C(=O)CC[N+](C)(C)C)cc1OCC ZINC000005967598 717102565 /nfs/dbraw/zinc/10/25/65/717102565.db2.gz DTFGZPDTNSFTTK-NTMALXAHSA-N 1 0 306.426 3.163 10 30 DGEERO N#Cc1nccnc1N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709625353 1083918929 /nfs/dbraw/zinc/91/89/29/1083918929.db2.gz MIARZVYIQFRALP-QGZVFWFLSA-N 1 0 321.428 3.205 10 30 DGEERO CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000405307243 1094331977 /nfs/dbraw/zinc/33/19/77/1094331977.db2.gz MVDQFRFRDVAHKD-MGPQQGTHSA-N 1 0 307.438 3.104 10 30 DGEERO C=CC[C@@H](CO)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000278440808 214154195 /nfs/dbraw/zinc/15/41/95/214154195.db2.gz HONCFPMIVOPVQZ-BLZCZZARSA-N 1 0 310.235 3.222 10 30 DGEERO CCc1cccc[n+]1CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000177458262 529558161 /nfs/dbraw/zinc/55/81/61/529558161.db2.gz BEPAVXXHCZNMQS-UHFFFAOYSA-N 1 0 323.460 3.018 10 30 DGEERO CCc1ccc(C)[n+]([C@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000160080447 529618002 /nfs/dbraw/zinc/61/80/02/529618002.db2.gz XNQZGDYOILJFMP-SFHVURJKSA-N 1 0 313.396 3.352 10 30 DGEERO N#Cc1ccc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)o1 ZINC000092405743 185316485 /nfs/dbraw/zinc/31/64/85/185316485.db2.gz RHHLDWTWWBAGPC-UHFFFAOYSA-N 1 0 321.424 3.426 10 30 DGEERO COc1ccc(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)cc1C ZINC000092787092 185341094 /nfs/dbraw/zinc/34/10/94/185341094.db2.gz NCPIJXIBJLWVEH-UHFFFAOYSA-N 1 0 320.396 3.155 10 30 DGEERO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)n2c1 ZINC000092788647 185341392 /nfs/dbraw/zinc/34/13/92/185341392.db2.gz BAKFASHITLDZLO-CQSZACIVSA-N 1 0 323.425 3.042 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160003091 529761480 /nfs/dbraw/zinc/76/14/80/529761480.db2.gz HGCWISOXSICKQQ-SFHVURJKSA-N 1 0 311.404 3.273 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000181740389 199346232 /nfs/dbraw/zinc/34/62/32/199346232.db2.gz HXHUITQYUYVTLW-CYBMUJFWSA-N 1 0 324.380 3.189 10 30 DGEERO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc(C#N)c1 ZINC000181958296 199366861 /nfs/dbraw/zinc/36/68/61/199366861.db2.gz SXAJKLWNKPLSSS-CYBMUJFWSA-N 1 0 313.426 3.090 10 30 DGEERO C#CCCOc1ccc(C[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000172115508 198041486 /nfs/dbraw/zinc/04/14/86/198041486.db2.gz IINVSAXSQJMGNS-UHFFFAOYSA-N 1 0 313.372 3.010 10 30 DGEERO Cc1cccc([C@@H](C)[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000173843820 198259674 /nfs/dbraw/zinc/25/96/74/198259674.db2.gz SKMXIFQBAAEYCH-MRXNPFEDSA-N 1 0 306.413 3.145 10 30 DGEERO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000180176366 432079653 /nfs/dbraw/zinc/07/96/53/432079653.db2.gz NUNKYHZDOSAMBT-SJORKVTESA-N 1 0 311.429 3.022 10 30 DGEERO C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000275482056 212363490 /nfs/dbraw/zinc/36/34/90/212363490.db2.gz BAVJGQJEOJPNOA-IBGZPJMESA-N 1 0 320.440 3.444 10 30 DGEERO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449359489 240154919 /nfs/dbraw/zinc/15/49/19/240154919.db2.gz QONKROQEVBTZCJ-LSDHHAIUSA-N 1 0 307.459 3.282 10 30 DGEERO C=CCCCC[C@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000449483056 240236429 /nfs/dbraw/zinc/23/64/29/240236429.db2.gz FZFZYIVQJUPLAP-NSHDSACASA-N 1 0 300.244 3.407 10 30 DGEERO C=CCC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000449694410 240373912 /nfs/dbraw/zinc/37/39/12/240373912.db2.gz BLLQZFWIXNQAAC-QAPCUYQASA-N 1 0 318.461 3.444 10 30 DGEERO C=CCC[C@H](CO)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000449698617 240375938 /nfs/dbraw/zinc/37/59/38/240375938.db2.gz OGRIGGPUMSTQCQ-QGZVFWFLSA-N 1 0 300.377 3.304 10 30 DGEERO N#CCCOCC[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451955109 241283406 /nfs/dbraw/zinc/28/34/06/241283406.db2.gz CRPMSFNGCMYPNZ-UHFFFAOYSA-N 1 0 308.372 3.150 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000455384110 242185826 /nfs/dbraw/zinc/18/58/26/242185826.db2.gz NWIFBHHDIQQQNL-IBGZPJMESA-N 1 0 313.445 3.365 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C(C)C ZINC000469502397 244108662 /nfs/dbraw/zinc/10/86/62/244108662.db2.gz XTTHBKPATZKLGP-XDNAFOTISA-N 1 0 304.478 3.237 10 30 DGEERO C=CCC[C@H](O)C[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000472743995 244314249 /nfs/dbraw/zinc/31/42/49/244314249.db2.gz CMCGOCPNXIQKPT-HOTGVXAUSA-N 1 0 322.880 3.346 10 30 DGEERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)c1 ZINC000093837993 193314260 /nfs/dbraw/zinc/31/42/60/193314260.db2.gz NCCAGNZJFBCEEI-CYBMUJFWSA-N 1 0 312.369 3.158 10 30 DGEERO CC[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123174323 284233388 /nfs/dbraw/zinc/23/33/88/284233388.db2.gz IVPBMLSDJUWWLR-MRXNPFEDSA-N 1 0 304.397 3.489 10 30 DGEERO C#CCCOc1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000264963759 204308457 /nfs/dbraw/zinc/30/84/57/204308457.db2.gz PAINSWWWCUMBOW-GOSISDBHSA-N 1 0 322.408 3.357 10 30 DGEERO CC[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126068493 284292427 /nfs/dbraw/zinc/29/24/27/284292427.db2.gz SXPVHHRIVSMYMU-LJQANCHMSA-N 1 0 319.408 3.186 10 30 DGEERO Cc1cc(C)c(C#N)c(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000171365601 432127043 /nfs/dbraw/zinc/12/70/43/432127043.db2.gz DSLCDQFNWJOSPB-MRXNPFEDSA-N 1 0 321.428 3.212 10 30 DGEERO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1OC ZINC000135682967 432132404 /nfs/dbraw/zinc/13/24/04/432132404.db2.gz IRCCWRMJZBNWPY-NSHDSACASA-N 1 0 302.399 3.488 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC)CCC#N ZINC000042955184 183321693 /nfs/dbraw/zinc/32/16/93/183321693.db2.gz NYPUYUSJTVOXFA-LSDHHAIUSA-N 1 0 324.266 3.463 10 30 DGEERO N#Cc1cccc(O[C@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042957575 183323637 /nfs/dbraw/zinc/32/36/37/183323637.db2.gz FMLSTTDGNUBLQI-OAHLLOKOSA-N 1 0 317.186 3.400 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CCC#N ZINC000043091005 183335928 /nfs/dbraw/zinc/33/59/28/183335928.db2.gz OMOKQOFDMSCXKL-ZIAGYGMSSA-N 1 0 310.239 3.073 10 30 DGEERO CCn1cc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)cn1 ZINC000157975789 197232406 /nfs/dbraw/zinc/23/24/06/197232406.db2.gz HORAZIPCZDVJPG-UHFFFAOYSA-N 1 0 311.404 3.273 10 30 DGEERO Cc1cc(C#N)cc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000342822945 254059480 /nfs/dbraw/zinc/05/94/80/254059480.db2.gz GGWDBKLXCIKBEE-QGZVFWFLSA-N 1 0 320.440 3.363 10 30 DGEERO Cc1cc(C#N)cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342847043 254064456 /nfs/dbraw/zinc/06/44/56/254064456.db2.gz GOPWYIAZNCTMBL-KBXCAEBGSA-N 1 0 306.413 3.194 10 30 DGEERO CCCn1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cn1 ZINC000120941077 195268923 /nfs/dbraw/zinc/26/89/23/195268923.db2.gz PWKDEWWPASOQSQ-UHFFFAOYSA-N 1 0 324.428 3.208 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(OCC#N)cc1 ZINC000182111627 533445600 /nfs/dbraw/zinc/44/56/00/533445600.db2.gz YCLOTHKCQZUCLO-GFCCVEGCSA-N 1 0 301.777 3.488 10 30 DGEERO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1CCC(C#N)CC1 ZINC000442869747 533411897 /nfs/dbraw/zinc/41/18/97/533411897.db2.gz SUFTYGNQXGTDJS-GTPINHCMSA-N 1 0 305.466 3.087 10 30 DGEERO COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H](C#N)C3)C2)c1 ZINC000248729891 533577542 /nfs/dbraw/zinc/57/75/42/533577542.db2.gz DDASOQUWVZJYSG-ZACQAIPSSA-N 1 0 313.445 3.336 10 30 DGEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000007018416 400095907 /nfs/dbraw/zinc/09/59/07/400095907.db2.gz JLXBPLZDTAZHNW-LRDDRELGSA-N 1 0 307.825 3.045 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595078103 400100815 /nfs/dbraw/zinc/10/08/15/400100815.db2.gz TYHGMJOHSPDQAP-NVXWUHKLSA-N 1 0 318.417 3.488 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000093742175 400252977 /nfs/dbraw/zinc/25/29/77/400252977.db2.gz QNDPUSDPMDGKOP-KRWDZBQOSA-N 1 0 302.462 3.415 10 30 DGEERO C=C(C)COc1cccc(NC(=O)[C@@H]2CCC[N@H+]2CCC)c1 ZINC000589551560 400304950 /nfs/dbraw/zinc/30/49/50/400304950.db2.gz JJQBNZNVKKDEPF-KRWDZBQOSA-N 1 0 302.418 3.454 10 30 DGEERO C=CCOc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000578749117 400331332 /nfs/dbraw/zinc/33/13/32/400331332.db2.gz RGESFFMWCJFOCG-SFHVURJKSA-N 1 0 320.864 3.480 10 30 DGEERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000070786486 400356776 /nfs/dbraw/zinc/35/67/76/400356776.db2.gz DCTNHDFWKSPJJZ-CABCVRRESA-N 1 0 301.434 3.221 10 30 DGEERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000042979349 400448507 /nfs/dbraw/zinc/44/85/07/400448507.db2.gz AGVHZVAWUUMLLL-IFXJQAMLSA-N 1 0 313.445 3.269 10 30 DGEERO C[C@@]1(C#N)CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000612371134 400533379 /nfs/dbraw/zinc/53/33/79/400533379.db2.gz YXEMBMJKSOSBRC-IBGZPJMESA-N 1 0 311.429 3.048 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602720437 400550900 /nfs/dbraw/zinc/55/09/00/400550900.db2.gz GPWBRPVEGLHWQP-UHFFFAOYSA-N 1 0 307.438 3.067 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000132513756 400559677 /nfs/dbraw/zinc/55/96/77/400559677.db2.gz ZRUVMPJPLSIAPW-UHFFFAOYSA-N 1 0 319.836 3.485 10 30 DGEERO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522762 400663314 /nfs/dbraw/zinc/66/33/14/400663314.db2.gz RNJRBHLHRIAFBO-LRFDDAOPSA-N 1 0 324.346 3.459 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000604652375 400792668 /nfs/dbraw/zinc/79/26/68/400792668.db2.gz JTHROJOUYORSLS-HOTGVXAUSA-N 1 0 307.482 3.152 10 30 DGEERO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000619200292 400798400 /nfs/dbraw/zinc/79/84/00/400798400.db2.gz QJJKNDYVKLKRGF-GOEBONIOSA-N 1 0 312.392 3.247 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCCC(C)(C)C(=O)OCC ZINC000593634706 400884549 /nfs/dbraw/zinc/88/45/49/400884549.db2.gz XJLIUEVAZQVUQQ-XHSDSOJGSA-N 1 0 311.466 3.458 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000633410195 400939831 /nfs/dbraw/zinc/93/98/31/400939831.db2.gz HDFVHLBCWNLBLK-UHFFFAOYSA-N 1 0 309.498 3.495 10 30 DGEERO N#Cc1ccc(N2CCC([NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)nc1 ZINC000619753556 400898651 /nfs/dbraw/zinc/89/86/51/400898651.db2.gz DJMLYJAHLPPNOL-MSOLQXFVSA-N 1 0 310.445 3.090 10 30 DGEERO C=CC[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000188264710 400908174 /nfs/dbraw/zinc/90/81/74/400908174.db2.gz XULBDEHEXCZFMA-WMZOPIPTSA-N 1 0 300.446 3.337 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594505984 401084392 /nfs/dbraw/zinc/08/43/92/401084392.db2.gz HMGHWDWHVOHQJI-KURKYZTESA-N 1 0 315.413 3.174 10 30 DGEERO Cc1cc(Br)ccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428239 401064413 /nfs/dbraw/zinc/06/44/13/401064413.db2.gz XHWYPJIJFXHWJK-LBPRGKRZSA-N 1 0 324.222 3.107 10 30 DGEERO N#CCCCC[C@H]([NH3+])C(=O)NCc1cccc(Cl)c1Cl ZINC000594430344 401066232 /nfs/dbraw/zinc/06/62/32/401066232.db2.gz ZUGJTXZELVAYMC-LBPRGKRZSA-N 1 0 314.216 3.021 10 30 DGEERO C=C(C)[C@@H]([NH2+]CCOC1CCOCC1)c1ccc(F)c(F)c1 ZINC000625340300 401104822 /nfs/dbraw/zinc/10/48/22/401104822.db2.gz MMFJAMAQNYGLNX-QGZVFWFLSA-N 1 0 311.372 3.367 10 30 DGEERO C=CCOc1ccc(CC(=O)NC(C)(C)C[N@@H+](C)CCC)cc1 ZINC000620621736 401151654 /nfs/dbraw/zinc/15/16/54/401151654.db2.gz SIBVQIVKNLRGGS-UHFFFAOYSA-N 1 0 318.461 3.031 10 30 DGEERO CC#CC[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000625658697 401177961 /nfs/dbraw/zinc/17/79/61/401177961.db2.gz FCFZPEKGKAAWSE-UHFFFAOYSA-N 1 0 301.434 3.395 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000625703560 401188439 /nfs/dbraw/zinc/18/84/39/401188439.db2.gz NATHSESMLMVROI-GFCCVEGCSA-N 1 0 320.234 3.495 10 30 DGEERO C=C(C)[C@H](CO)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000625749916 401201200 /nfs/dbraw/zinc/20/12/00/401201200.db2.gz BMDRDXWVLUZWOL-OQPBUACISA-N 1 0 320.177 3.315 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1 ZINC000594961996 401209927 /nfs/dbraw/zinc/20/99/27/401209927.db2.gz CPMPHTTVMVZVJD-QLVMHMETSA-N 1 0 307.459 3.031 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600184918 401212411 /nfs/dbraw/zinc/21/24/11/401212411.db2.gz IQGYPQQPQGVQPG-GFCCVEGCSA-N 1 0 306.362 3.010 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625784146 401217095 /nfs/dbraw/zinc/21/70/95/401217095.db2.gz GZKQMPKLCAEVMU-QAPCUYQASA-N 1 0 313.445 3.102 10 30 DGEERO C=CC[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000625702365 401186296 /nfs/dbraw/zinc/18/62/96/401186296.db2.gz DRISUABNLKOZJJ-LBPRGKRZSA-N 1 0 309.369 3.480 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000625700551 401186488 /nfs/dbraw/zinc/18/64/88/401186488.db2.gz KEEZSOOFKDURRK-LBPRGKRZSA-N 1 0 308.809 3.185 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(SC)cc2)C1 ZINC000625703983 401188133 /nfs/dbraw/zinc/18/81/33/401188133.db2.gz QIZYIYJJMWIUKE-OAHLLOKOSA-N 1 0 318.486 3.265 10 30 DGEERO C=CCC1([NH2+]C[C@H](O)COCc2ccccc2)CCCCC1 ZINC000625936454 401259557 /nfs/dbraw/zinc/25/95/57/401259557.db2.gz MQGNEJOCNKFRFN-SFHVURJKSA-N 1 0 303.446 3.433 10 30 DGEERO CC#CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCC ZINC000626388423 401351074 /nfs/dbraw/zinc/35/10/74/401351074.db2.gz QCZIHTRFVVZDOC-RTBURBONSA-N 1 0 312.457 3.064 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000630578565 401291058 /nfs/dbraw/zinc/29/10/58/401291058.db2.gz JQUYVGZKODHLKB-CQSZACIVSA-N 1 0 304.459 3.358 10 30 DGEERO C=CCCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626615908 401381722 /nfs/dbraw/zinc/38/17/22/401381722.db2.gz IRLWUETWVUCYLL-RBUKOAKNSA-N 1 0 312.457 3.179 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccnc(N3CCSCC3)c2)C1 ZINC000631241400 401434964 /nfs/dbraw/zinc/43/49/64/401434964.db2.gz UYBCPVHBSULXLG-WBVHZDCISA-N 1 0 317.502 3.469 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000627120973 401446550 /nfs/dbraw/zinc/44/65/50/401446550.db2.gz KVMOZIGFPIOIRJ-MRXNPFEDSA-N 1 0 307.482 3.010 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000623494156 401531451 /nfs/dbraw/zinc/53/14/51/401531451.db2.gz DMNAVERQGGIQIB-JKSUJKDBSA-N 1 0 307.482 3.105 10 30 DGEERO C=CCCn1cc(C[NH2+]CC2CCc3ccccc3CC2)nn1 ZINC000623593513 401552029 /nfs/dbraw/zinc/55/20/29/401552029.db2.gz OYELPZPQOCGJSQ-UHFFFAOYSA-N 1 0 310.445 3.139 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1 ZINC000623601864 401553933 /nfs/dbraw/zinc/55/39/33/401553933.db2.gz STBLVDWLCCYJME-FQEVSTJZSA-N 1 0 309.409 3.483 10 30 DGEERO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000624266775 401645408 /nfs/dbraw/zinc/64/54/08/401645408.db2.gz UYUUYDABQZJIRH-RTBURBONSA-N 1 0 317.477 3.007 10 30 DGEERO C=CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000628486110 401606739 /nfs/dbraw/zinc/60/67/39/401606739.db2.gz AWZSSHPEJYCXFT-HKUYNNGSSA-N 1 0 312.457 3.323 10 30 DGEERO C=CC[C@H]1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000628488888 401607374 /nfs/dbraw/zinc/60/73/74/401607374.db2.gz KLBLEAVLUBEMRQ-INIZCTEOSA-N 1 0 313.445 3.031 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624325774 401651641 /nfs/dbraw/zinc/65/16/41/401651641.db2.gz ANCMYFWXCGDDSZ-ZACQAIPSSA-N 1 0 307.482 3.152 10 30 DGEERO C=CCCC(C)(C)CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000633299738 401670662 /nfs/dbraw/zinc/67/06/62/401670662.db2.gz QYHUJFPBNNMZCO-UHFFFAOYSA-N 1 0 300.406 3.126 10 30 DGEERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C12CCOCC2 ZINC000186277230 286288294 /nfs/dbraw/zinc/28/82/94/286288294.db2.gz BUHXUKHZFJHGDO-BMGDILEWSA-N 1 0 314.429 3.183 10 30 DGEERO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)nc1C ZINC000186843928 165063684 /nfs/dbraw/zinc/06/36/84/165063684.db2.gz PBVVXLCACXHPID-UHFFFAOYSA-N 1 0 309.413 3.219 10 30 DGEERO CCc1nnc(C2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)[nH]1 ZINC000190669388 165210640 /nfs/dbraw/zinc/21/06/40/165210640.db2.gz DGRZFMIHOSKLOP-ZDUSSCGKSA-N 1 0 309.417 3.179 10 30 DGEERO C[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(C#N)s1 ZINC000181919805 432151097 /nfs/dbraw/zinc/15/10/97/432151097.db2.gz NZAJDAMANJGUDV-RISCZKNCSA-N 1 0 311.410 3.396 10 30 DGEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(Br)cc1C#N ZINC000130462919 196084013 /nfs/dbraw/zinc/08/40/13/196084013.db2.gz STDCDERKFLARKP-AWEZNQCLSA-N 1 0 322.250 3.241 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000162499687 228258114 /nfs/dbraw/zinc/25/81/14/228258114.db2.gz ZUPFWBDZLSDING-LIRRHRJNSA-N 1 0 313.445 3.107 10 30 DGEERO Cc1c(C#N)cccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000178539813 228343212 /nfs/dbraw/zinc/34/32/12/228343212.db2.gz SVTADZSIZLSLDN-SFHVURJKSA-N 1 0 322.412 3.291 10 30 DGEERO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000181506921 228362488 /nfs/dbraw/zinc/36/24/88/228362488.db2.gz FERZLMIDNNXEHS-CVEARBPZSA-N 1 0 301.434 3.114 10 30 DGEERO COCc1ccccc1NC(=[NH2+])NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247339915 228625666 /nfs/dbraw/zinc/62/56/66/228625666.db2.gz XMJRLHZOEAKDAS-ZHALLVOQSA-N 1 0 321.424 3.146 10 30 DGEERO [NH2+]=C(NCCc1c[nH]c2cc(F)ccc12)NC1CCCCC1 ZINC000262005542 228641545 /nfs/dbraw/zinc/64/15/45/228641545.db2.gz RJWXYPGWIMJNFJ-UHFFFAOYSA-N 1 0 302.397 3.087 10 30 DGEERO Cc1nn(C)c(C)c1[C@H](C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330048816 228973724 /nfs/dbraw/zinc/97/37/24/228973724.db2.gz IVWTUPYJALKSMY-JQRITLKVSA-N 1 0 318.465 3.114 10 30 DGEERO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358580488 270003974 /nfs/dbraw/zinc/00/39/74/270003974.db2.gz XYFUVJMDMOUBSX-BLLLJJGKSA-N 1 0 316.351 3.091 10 30 DGEERO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000358551791 267181955 /nfs/dbraw/zinc/18/19/55/267181955.db2.gz BQEDNLKGQRPRJP-HNNXBMFYSA-N 1 0 323.415 3.406 10 30 DGEERO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(C#N)cc1F ZINC000358577807 267183734 /nfs/dbraw/zinc/18/37/34/267183734.db2.gz VGYDPMMXWSZCFI-LRDDRELGSA-N 1 0 301.365 3.244 10 30 DGEERO C[C@]1(CNc2cccnc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000357434167 267262485 /nfs/dbraw/zinc/26/24/85/267262485.db2.gz CDNLOSSBCPSGBP-LJQANCHMSA-N 1 0 306.413 3.420 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182882997 432238506 /nfs/dbraw/zinc/23/85/06/432238506.db2.gz CDFRKFGOQVQCKB-HZPDHXFCSA-N 1 0 307.482 3.247 10 30 DGEERO Cc1c([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)cnn1C(C)C ZINC000191372955 432257186 /nfs/dbraw/zinc/25/71/86/432257186.db2.gz SODJWOYVVMVIBT-AWEZNQCLSA-N 1 0 312.417 3.374 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1sc(C)nc1C(F)(F)F ZINC000451684905 275436956 /nfs/dbraw/zinc/43/69/56/275436956.db2.gz WOIGBHYRBPEMHO-ZJUUUORDSA-N 1 0 306.353 3.294 10 30 DGEERO C=CCC[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000352074575 276888224 /nfs/dbraw/zinc/88/82/24/276888224.db2.gz NPPZUHHWKNQMLA-GVDBMIGSSA-N 1 0 308.853 3.002 10 30 DGEERO CC[N@@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619695202 430597665 /nfs/dbraw/zinc/59/76/65/430597665.db2.gz UTADJWVSKVLYPN-LLVKDONJSA-N 1 0 312.339 3.116 10 30 DGEERO C[C@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)N(C)CCC#N ZINC000112532009 431282450 /nfs/dbraw/zinc/28/24/50/431282450.db2.gz XNFMGBNQTLBIOK-GJZGRUSLSA-N 1 0 315.461 3.395 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716802 431377899 /nfs/dbraw/zinc/37/78/99/431377899.db2.gz XZJFQRBLFPZRCY-QWHCGFSZSA-N 1 0 308.372 3.205 10 30 DGEERO C=CCCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000076735173 431560544 /nfs/dbraw/zinc/56/05/44/431560544.db2.gz KIRMSRXHGGDHNE-UHFFFAOYSA-N 1 0 302.334 3.043 10 30 DGEERO C=CCOc1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000120291373 431724001 /nfs/dbraw/zinc/72/40/01/431724001.db2.gz DSFPVLHJBBBACJ-UHFFFAOYSA-N 1 0 324.428 3.118 10 30 DGEERO C=CCCCN(C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000121084192 431743609 /nfs/dbraw/zinc/74/36/09/431743609.db2.gz OWNCDYNWCJMLHM-OAHLLOKOSA-N 1 0 306.450 3.393 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000121147941 431747723 /nfs/dbraw/zinc/74/77/23/431747723.db2.gz OLGMBYVJNDKYQO-UHFFFAOYSA-N 1 0 310.825 3.494 10 30 DGEERO CCC[N@@H+](Cc1ccc(C#N)cc1OC)C[C@@H]1CCCCO1 ZINC000121390808 431781121 /nfs/dbraw/zinc/78/11/21/431781121.db2.gz FSGFMTYHIBFTJB-KRWDZBQOSA-N 1 0 302.418 3.348 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000122928877 431848513 /nfs/dbraw/zinc/84/85/13/431848513.db2.gz MPZWGKUFYYTMEH-CYBMUJFWSA-N 1 0 300.431 3.216 10 30 DGEERO C#CCCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000123052391 431853246 /nfs/dbraw/zinc/85/32/46/431853246.db2.gz MRMXIXGZHHRQKD-IBGZPJMESA-N 1 0 323.440 3.431 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)n2c1 ZINC000123251968 431859776 /nfs/dbraw/zinc/85/97/76/431859776.db2.gz HIJJSYDZZHGKSG-QWHCGFSZSA-N 1 0 322.334 3.417 10 30 DGEERO CCc1ccc([C@H]2CCCC[N@@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000092797751 431912291 /nfs/dbraw/zinc/91/22/91/431912291.db2.gz BFHHLPNSQOQWPH-MRXNPFEDSA-N 1 0 317.433 3.131 10 30 DGEERO CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000124776345 431904628 /nfs/dbraw/zinc/90/46/28/431904628.db2.gz AKWCBXMKPZYCDK-GOEBONIOSA-N 1 0 317.433 3.123 10 30 DGEERO C=CCn1cc(CN(CC[NH+]2CCCCCC2)C(C)C)c(C)n1 ZINC000055042571 431975439 /nfs/dbraw/zinc/97/54/39/431975439.db2.gz RVKBBRAIKRJNAV-UHFFFAOYSA-N 1 0 318.509 3.464 10 30 DGEERO C=CCNC(=O)C[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000191781550 432300639 /nfs/dbraw/zinc/30/06/39/432300639.db2.gz GXOYVUAASOJLAA-GOSISDBHSA-N 1 0 312.388 3.001 10 30 DGEERO CN1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000248758744 432316861 /nfs/dbraw/zinc/31/68/61/432316861.db2.gz GJIQSTXVMPSATE-BAGBSZHRSA-N 1 0 319.399 3.382 10 30 DGEERO C[C@H]1CCCN(C(=O)C2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000191945466 432317047 /nfs/dbraw/zinc/31/70/47/432317047.db2.gz KGENIHZVTQGKAZ-SFHVURJKSA-N 1 0 324.468 3.009 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192009466 432323808 /nfs/dbraw/zinc/32/38/08/432323808.db2.gz ABIOZFDLJPUFRM-INIZCTEOSA-N 1 0 312.392 3.293 10 30 DGEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000248880896 432325774 /nfs/dbraw/zinc/32/57/74/432325774.db2.gz DEXQGYPYZAAZDF-WMLDXEAASA-N 1 0 321.428 3.425 10 30 DGEERO CC#CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248639274 432310665 /nfs/dbraw/zinc/31/06/65/432310665.db2.gz WQWMNUDDAVMGJQ-HKUYNNGSSA-N 1 0 312.457 3.349 10 30 DGEERO C=CCOc1cccc(C[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000174558114 432357231 /nfs/dbraw/zinc/35/72/31/432357231.db2.gz IQPMWTAFTULFQC-UHFFFAOYSA-N 1 0 308.381 3.292 10 30 DGEERO Cc1ccc(-c2n[nH]cc2C[NH2+]CCOc2ccc(C#N)cc2)o1 ZINC000174561746 432357420 /nfs/dbraw/zinc/35/74/20/432357420.db2.gz URWMZOPPIURJDE-UHFFFAOYSA-N 1 0 322.368 3.018 10 30 DGEERO CC[C@H]1CN(Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000184761246 432430215 /nfs/dbraw/zinc/43/02/15/432430215.db2.gz KXVYUNKVRZPVQU-KRWDZBQOSA-N 1 0 309.413 3.248 10 30 DGEERO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCC1 ZINC000184653623 432418105 /nfs/dbraw/zinc/41/81/05/432418105.db2.gz WZSSUGTZSJAHSE-NSHDSACASA-N 1 0 305.809 3.318 10 30 DGEERO CN(c1ccc(C(F)(F)F)c(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262355349 432482332 /nfs/dbraw/zinc/48/23/32/432482332.db2.gz VSPQRFBCDDZVFG-ONXXMXGDSA-N 1 0 309.335 3.296 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193771683 432498086 /nfs/dbraw/zinc/49/80/86/432498086.db2.gz LQMFQEDZAQRMNA-FUHWJXTLSA-N 1 0 300.446 3.227 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193771652 432498223 /nfs/dbraw/zinc/49/82/23/432498223.db2.gz LQMFQEDZAQRMNA-WMZOPIPTSA-N 1 0 300.446 3.227 10 30 DGEERO C=CCOCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000272529269 432517715 /nfs/dbraw/zinc/51/77/15/432517715.db2.gz JBGGWXCDNAMGEF-CYBMUJFWSA-N 1 0 312.207 3.065 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185838073 432538576 /nfs/dbraw/zinc/53/85/76/432538576.db2.gz ANBCEPVDQXVDGK-JZXOWHBKSA-N 1 0 300.446 3.368 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000185863682 432539358 /nfs/dbraw/zinc/53/93/58/432539358.db2.gz NPAOBQPIOIHSLO-OAHLLOKOSA-N 1 0 304.434 3.476 10 30 DGEERO CN1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000185874748 432541313 /nfs/dbraw/zinc/54/13/13/432541313.db2.gz GJIQSTXVMPSATE-YENGBRFLSA-N 1 0 319.399 3.382 10 30 DGEERO C=C(C)[C@H]([NH2+]C[C@@H](O)COCCCC)c1ccc(F)c(F)c1 ZINC000195219721 432613188 /nfs/dbraw/zinc/61/31/88/432613188.db2.gz CMQDATWUIGHLRF-PBHICJAKSA-N 1 0 313.388 3.349 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000186402445 432590973 /nfs/dbraw/zinc/59/09/73/432590973.db2.gz LEKXSYQNEBUWHA-WCQYABFASA-N 1 0 314.223 3.132 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000186690000 432622322 /nfs/dbraw/zinc/62/23/22/432622322.db2.gz JUTWJDGJFSQFFA-HUUCEWRRSA-N 1 0 304.434 3.054 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000187545106 432669488 /nfs/dbraw/zinc/66/94/88/432669488.db2.gz YUAFKSRXAZVGTR-CMPLNLGQSA-N 1 0 314.223 3.051 10 30 DGEERO CCc1cc[n+]([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000188671251 432738393 /nfs/dbraw/zinc/73/83/93/432738393.db2.gz MJCHZVGKUVYPAN-SFHVURJKSA-N 1 0 309.433 3.440 10 30 DGEERO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000162603408 432828170 /nfs/dbraw/zinc/82/81/70/432828170.db2.gz JQYKCUGHYMBDGE-UHFFFAOYSA-N 1 0 321.424 3.248 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000162924390 432837622 /nfs/dbraw/zinc/83/76/22/432837622.db2.gz CJNLAFYBKSLVFU-NVXWUHKLSA-N 1 0 304.821 3.339 10 30 DGEERO Cc1nccn1-c1ncccc1NC(=O)c1ccc(C#N)cc1C ZINC000162012093 432807823 /nfs/dbraw/zinc/80/78/23/432807823.db2.gz HRAJNHBGEIICKQ-UHFFFAOYSA-N 1 0 317.352 3.008 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1OC ZINC000189717060 432812636 /nfs/dbraw/zinc/81/26/36/432812636.db2.gz NIYVVKSSQRJJNA-HNNXBMFYSA-N 1 0 305.418 3.307 10 30 DGEERO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245690493 432856928 /nfs/dbraw/zinc/85/69/28/432856928.db2.gz XCKQUONYEJDWKU-ZWKOTPCHSA-N 1 0 320.396 3.125 10 30 DGEERO O=C(NC1CC1)[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000330256729 432900371 /nfs/dbraw/zinc/90/03/71/432900371.db2.gz KWALJHREGDMSSZ-BRWVUGGUSA-N 1 0 318.392 3.143 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000330269143 432900882 /nfs/dbraw/zinc/90/08/82/432900882.db2.gz RSLNMWACECQGSQ-DYQSUWPFSA-N 1 0 310.344 3.098 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)c(C)c1 ZINC000330271698 432901309 /nfs/dbraw/zinc/90/13/09/432901309.db2.gz WIDCWWBNHQJZDE-RRQGHBQHSA-N 1 0 302.418 3.437 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000280585460 433097452 /nfs/dbraw/zinc/09/74/52/433097452.db2.gz HXZFMRUERUUABQ-SKDRFNHKSA-N 1 0 306.353 3.233 10 30 DGEERO N#Cc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000374600432 433232737 /nfs/dbraw/zinc/23/27/37/433232737.db2.gz BOKGTZRASSCKHP-PWIZWCRZSA-N 1 0 321.424 3.151 10 30 DGEERO C=C(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374788418 433278938 /nfs/dbraw/zinc/27/89/38/433278938.db2.gz OIZUVUWNBIDCBC-MRXNPFEDSA-N 1 0 324.428 3.418 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000375470970 433470343 /nfs/dbraw/zinc/47/03/43/433470343.db2.gz RLMKUAIXBSFTAX-BHIYHBOVSA-N 1 0 306.494 3.212 10 30 DGEERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cnc(C#N)cn1 ZINC000375696125 433531978 /nfs/dbraw/zinc/53/19/78/433531978.db2.gz GSDFWODALJDWMX-KRWDZBQOSA-N 1 0 321.428 3.061 10 30 DGEERO CCC[NH+]1CCC(CNc2nnc(CC)c(CC)c2C#N)CC1 ZINC000301614486 433639487 /nfs/dbraw/zinc/63/94/87/433639487.db2.gz ICCPFONXZOVCRM-UHFFFAOYSA-N 1 0 315.465 3.007 10 30 DGEERO Cc1cc(C#N)cc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000342504355 433733454 /nfs/dbraw/zinc/73/34/54/433733454.db2.gz DFIVGHJEEAYFDR-YJBOKZPZSA-N 1 0 306.413 3.337 10 30 DGEERO C[C@@H]1C[NH+](Cc2cccc(Nc3cccc(C#N)n3)c2)C[C@@H](C)O1 ZINC000301867662 433767794 /nfs/dbraw/zinc/76/77/94/433767794.db2.gz VUVIOSNGVLAIMA-HUUCEWRRSA-N 1 0 322.412 3.306 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC000363448445 434055138 /nfs/dbraw/zinc/05/51/38/434055138.db2.gz YWOALCCNYONFBM-INIZCTEOSA-N 1 0 315.461 3.074 10 30 DGEERO C#CCCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000363725052 434127792 /nfs/dbraw/zinc/12/77/92/434127792.db2.gz PEJYYXYGURXRJL-SLFFLAALSA-N 1 0 324.468 3.207 10 30 DGEERO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437103967 434215891 /nfs/dbraw/zinc/21/58/91/434215891.db2.gz CJEQYCJZAKBXHA-ZIAGYGMSSA-N 1 0 302.397 3.156 10 30 DGEERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328855684 434319546 /nfs/dbraw/zinc/31/95/46/434319546.db2.gz XRSDMYDYKPRLJA-LSDHHAIUSA-N 1 0 309.454 3.497 10 30 DGEERO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358560555 434395954 /nfs/dbraw/zinc/39/59/54/434395954.db2.gz FCVHQPUUXMIZBQ-ZDUSSCGKSA-N 1 0 300.381 3.333 10 30 DGEERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358555411 434396582 /nfs/dbraw/zinc/39/65/82/434396582.db2.gz KYGNYSGTEYSUEM-ILXRZTDVSA-N 1 0 303.425 3.468 10 30 DGEERO C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(C#N)cc1F ZINC000358568153 434398906 /nfs/dbraw/zinc/39/89/06/434398906.db2.gz FNBTVEKSPCQUHC-CQSZACIVSA-N 1 0 320.408 3.181 10 30 DGEERO C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358949496 434408763 /nfs/dbraw/zinc/40/87/63/434408763.db2.gz HGLAVISDFJGZOZ-GOEBONIOSA-N 1 0 317.481 3.041 10 30 DGEERO CC1(C)CN(c2ccncc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000399429065 434478513 /nfs/dbraw/zinc/47/85/13/434478513.db2.gz IAIYBMUUCLUITH-UHFFFAOYSA-N 1 0 306.413 3.054 10 30 DGEERO C=CCC[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417906593 434545210 /nfs/dbraw/zinc/54/52/10/434545210.db2.gz CDUJSGGULSGKRN-ROUUACIJSA-N 1 0 313.445 3.230 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)CC1 ZINC000368084845 434566378 /nfs/dbraw/zinc/56/63/78/434566378.db2.gz HXFLIONPNVDLOJ-QFBILLFUSA-N 1 0 319.493 3.249 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000424173420 434645313 /nfs/dbraw/zinc/64/53/13/434645313.db2.gz PVPYELVATMFGOV-QZWWFDLISA-N 1 0 309.450 3.069 10 30 DGEERO C=CCN1CC[C@@H]([N@@H+](C)[C@H](c2ccccc2C)C(C)C)C1=O ZINC000410394063 434646269 /nfs/dbraw/zinc/64/62/69/434646269.db2.gz TZPPBDMUKKUOPA-MSOLQXFVSA-N 1 0 300.446 3.411 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000424294303 434680277 /nfs/dbraw/zinc/68/02/77/434680277.db2.gz KLENWCPNCLLAQC-NOLJZWGESA-N 1 0 320.389 3.235 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000424297289 434682613 /nfs/dbraw/zinc/68/26/13/434682613.db2.gz QCCROCHVIVNUEC-XKQJLSEDSA-N 1 0 302.374 3.153 10 30 DGEERO C#CCCOc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1 ZINC000371862120 434760770 /nfs/dbraw/zinc/76/07/70/434760770.db2.gz AYPXUGAXNLEQGU-QGZVFWFLSA-N 1 0 313.441 3.480 10 30 DGEERO C=CCC1(C(=O)Nc2ccccc2CC[NH+](C)C)CCOCC1 ZINC000424798604 434805093 /nfs/dbraw/zinc/80/50/93/434805093.db2.gz ITRLHOVXKHOKIR-UHFFFAOYSA-N 1 0 316.445 3.102 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000528547433 435025854 /nfs/dbraw/zinc/02/58/54/435025854.db2.gz XGYAGNFMBIYJCH-NXHRZFHOSA-N 1 0 314.429 3.022 10 30 DGEERO C=C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000574813944 435003612 /nfs/dbraw/zinc/00/36/12/435003612.db2.gz RXBQYPSZVVGFCD-BHIYHBOVSA-N 1 0 312.457 3.337 10 30 DGEERO C=C[C@H](CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000574813945 435003886 /nfs/dbraw/zinc/00/38/86/435003886.db2.gz RXBQYPSZVVGFCD-NEWSRXKRSA-N 1 0 312.457 3.337 10 30 DGEERO C=CCOc1ccc(C[N@H+](C)[C@H](CO)CC(C)C)cc1OC ZINC000558423214 435087944 /nfs/dbraw/zinc/08/79/44/435087944.db2.gz IIFCJCGLINZKAB-INIZCTEOSA-N 1 0 307.434 3.099 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000531650498 435108072 /nfs/dbraw/zinc/10/80/72/435108072.db2.gz DVHOBJJABUXATE-UHFFFAOYSA-N 1 0 302.462 3.169 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000566216702 435284532 /nfs/dbraw/zinc/28/45/32/435284532.db2.gz CGPCEODXGLJENR-OTWHNJEPSA-N 1 0 312.457 3.117 10 30 DGEERO C=C[C@@H](CC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000533924530 435260750 /nfs/dbraw/zinc/26/07/50/435260750.db2.gz ABNMOKYNDOGEMF-SJORKVTESA-N 1 0 300.446 3.337 10 30 DGEERO C=CCOc1cccc(CN2CCC[C@H]2C(=O)OC(C)C)c1 ZINC000538718544 435514492 /nfs/dbraw/zinc/51/44/92/435514492.db2.gz YIPBOBHVJNPKGF-KRWDZBQOSA-N 1 0 303.402 3.167 10 30 DGEERO C=CCC[C@H](CC)[NH2+]C[C@@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000570631846 435637010 /nfs/dbraw/zinc/63/70/10/435637010.db2.gz RSXUCMIFKFHGIZ-AEFFLSMTSA-N 1 0 320.452 3.373 10 30 DGEERO C=CC[C@H](CO)C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000540395893 435599523 /nfs/dbraw/zinc/59/95/23/435599523.db2.gz CBDQKBZLLBKRRC-HOTGVXAUSA-N 1 0 318.461 3.301 10 30 DGEERO C=CCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571015256 435670561 /nfs/dbraw/zinc/67/05/61/435670561.db2.gz NDWHIPUPUHLGOG-HNNXBMFYSA-N 1 0 309.841 3.208 10 30 DGEERO CC[NH+]1CCN(c2ccccc2N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185732684 333212968 /nfs/dbraw/zinc/21/29/68/333212968.db2.gz IMSXDYPJGHFJCP-DLBZAZTESA-N 1 0 312.461 3.323 10 30 DGEERO C=CCc1cc(C[NH2+][C@H](CO)[C@H](C)CCC)cc(OC)c1O ZINC000563254380 333513068 /nfs/dbraw/zinc/51/30/68/333513068.db2.gz CAIJVJLTROFDGA-CZUORRHYSA-N 1 0 307.434 3.016 10 30 DGEERO C=CCCCCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000582249169 336394238 /nfs/dbraw/zinc/39/42/38/336394238.db2.gz HHSXZPWAFOKEPZ-MRXNPFEDSA-N 1 0 319.449 3.462 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000424166541 337789681 /nfs/dbraw/zinc/78/96/81/337789681.db2.gz CPKPIPGTUPGMEP-GRAKBVBRSA-N 1 0 309.450 3.068 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000538364781 340819457 /nfs/dbraw/zinc/81/94/57/340819457.db2.gz JOHSYAOUTCMDSK-FUHWJXTLSA-N 1 0 317.477 3.203 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000539198960 340875836 /nfs/dbraw/zinc/87/58/36/340875836.db2.gz XVGWUIYPFWWLOT-OAHLLOKOSA-N 1 0 320.481 3.230 10 30 DGEERO CC1(C#N)CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000542810430 341021433 /nfs/dbraw/zinc/02/14/33/341021433.db2.gz UFUOWGLJEAHERV-GOSISDBHSA-N 1 0 324.424 3.205 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2Cc3ccccc3[C@@H]2C)CC1 ZINC000543972442 341064689 /nfs/dbraw/zinc/06/46/89/341064689.db2.gz VTJJFSHSEBNZQV-HNNXBMFYSA-N 1 0 313.445 3.313 10 30 DGEERO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000544599467 341087914 /nfs/dbraw/zinc/08/79/14/341087914.db2.gz FVBOGIMMVMYXBC-CZUORRHYSA-N 1 0 314.408 3.343 10 30 DGEERO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000079599056 341261869 /nfs/dbraw/zinc/26/18/69/341261869.db2.gz XQZWJLBZQVNUPF-OAHLLOKOSA-N 1 0 321.440 3.254 10 30 DGEERO C=C[C@H](CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC)c1ccccc1 ZINC000136939463 341269300 /nfs/dbraw/zinc/26/93/00/341269300.db2.gz BSUPKPVNDIEECR-BHIYHBOVSA-N 1 0 312.457 3.432 10 30 DGEERO N#C[C@@H]1CCC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)C1 ZINC000248992362 341391507 /nfs/dbraw/zinc/39/15/07/341391507.db2.gz NUDMPJAQPFPWPR-ZBFHGGJFSA-N 1 0 317.864 3.370 10 30 DGEERO C=CCOc1cccc(C[NH2+]Cc2ccc(C(=O)OC)cc2)c1 ZINC000574122022 341749207 /nfs/dbraw/zinc/74/92/07/341749207.db2.gz ZCQLTPRXHPWLEW-UHFFFAOYSA-N 1 0 311.381 3.328 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCC[C@H]1OC)C(C)C ZINC000576016242 341820402 /nfs/dbraw/zinc/82/04/02/341820402.db2.gz OGGWCSAPDRRIEL-KZNAEPCWSA-N 1 0 322.493 3.006 10 30 DGEERO COc1cc(C[NH2+]CC2CCC(C#N)CC2)cc(OC)c1OC ZINC000441342575 533872567 /nfs/dbraw/zinc/87/25/67/533872567.db2.gz ZJUABHFKAPJQCB-UHFFFAOYSA-N 1 0 318.417 3.132 10 30 DGEERO C=C(CC)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494277500 534420084 /nfs/dbraw/zinc/42/00/84/534420084.db2.gz RNYJVHMLFMNMEC-ZBFHGGJFSA-N 1 0 310.800 3.307 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000449548870 534575844 /nfs/dbraw/zinc/57/58/44/534575844.db2.gz RLXOIEDGFSQHRM-CABCVRRESA-N 1 0 301.415 3.028 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCCC1 ZINC000459054255 534598753 /nfs/dbraw/zinc/59/87/53/534598753.db2.gz SPJKFRCWGMWKFZ-CVEARBPZSA-N 1 0 307.482 3.247 10 30 DGEERO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000158410845 522041074 /nfs/dbraw/zinc/04/10/74/522041074.db2.gz MWZKSEKGDVXCJH-OAHLLOKOSA-N 1 0 312.369 3.376 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449359486 534696887 /nfs/dbraw/zinc/69/68/87/534696887.db2.gz QONKROQEVBTZCJ-CABCVRRESA-N 1 0 307.459 3.282 10 30 DGEERO C=CCOc1ccc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000449350493 534883163 /nfs/dbraw/zinc/88/31/63/534883163.db2.gz ZMXCQAKOPOLEHT-INIZCTEOSA-N 1 0 300.446 3.168 10 30 DGEERO C=CC[C@@H](C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488921564 534885504 /nfs/dbraw/zinc/88/55/04/534885504.db2.gz ROIBBPSMBPSZQB-APWZRJJASA-N 1 0 315.461 3.305 10 30 DGEERO CC#CCC[N@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000360485320 526308852 /nfs/dbraw/zinc/30/88/52/526308852.db2.gz BRILJHVQVVSASZ-XLIONFOSSA-N 1 0 313.489 3.336 10 30 DGEERO C=CC[N@@H+](Cc1ccc(C(=O)OC)cn1)CC1CCCCC1 ZINC000352013526 526332401 /nfs/dbraw/zinc/33/24/01/526332401.db2.gz JKBXLUHLTGFOFW-UHFFFAOYSA-N 1 0 302.418 3.437 10 30 DGEERO C[NH+]=C(NCc1nc2cc(Cl)ccc2s1)NCC1CCC1 ZINC000262734151 526415698 /nfs/dbraw/zinc/41/56/98/526415698.db2.gz VAZGJCZIEPEPBC-UHFFFAOYSA-N 1 0 322.865 3.415 10 30 DGEERO C=C(C)CN(Cc1ccccc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418341265 526565802 /nfs/dbraw/zinc/56/58/02/526565802.db2.gz HDFRAEYNMLSFCX-KRWDZBQOSA-N 1 0 315.461 3.164 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000341483286 526692318 /nfs/dbraw/zinc/69/23/18/526692318.db2.gz KBDYQNXKSCBCAO-SJLPKXTDSA-N 1 0 300.446 3.322 10 30 DGEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000435726872 526834073 /nfs/dbraw/zinc/83/40/73/526834073.db2.gz BUGYVSAKTPIXBM-CZUORRHYSA-N 1 0 315.442 3.276 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000349040650 526934226 /nfs/dbraw/zinc/93/42/26/526934226.db2.gz UZYLYBSZTNUUIS-FUHWJXTLSA-N 1 0 300.446 3.310 10 30 DGEERO C=CC[C@@H](CO)C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000341288630 527077584 /nfs/dbraw/zinc/07/75/84/527077584.db2.gz DYDJGYKQYRUDPI-CQSZACIVSA-N 1 0 300.377 3.162 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295429310 527209542 /nfs/dbraw/zinc/20/95/42/527209542.db2.gz OOIAOVYEVCPBBK-MRXNPFEDSA-N 1 0 316.470 3.411 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000343513479 527210242 /nfs/dbraw/zinc/21/02/42/527210242.db2.gz WDCGYVXCJCJJDZ-ZIAGYGMSSA-N 1 0 310.235 3.271 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000340761813 527249634 /nfs/dbraw/zinc/24/96/34/527249634.db2.gz SECUFHISEHFKAO-CQSZACIVSA-N 1 0 322.399 3.467 10 30 DGEERO C=CCCC[C@H](C)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000340944644 527275380 /nfs/dbraw/zinc/27/53/80/527275380.db2.gz AXSWEFNMAZAYPC-AWEZNQCLSA-N 1 0 322.474 3.161 10 30 DGEERO C=C[C@@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000365426891 527421698 /nfs/dbraw/zinc/42/16/98/527421698.db2.gz GXUGFPQIQVHKIA-IVMQYODDSA-N 1 0 312.457 3.479 10 30 DGEERO C=CCC[C@H]([NH2+][C@H]1CC(=O)N(c2cccc(OC)c2)C1)C1CC1 ZINC000346747302 527488442 /nfs/dbraw/zinc/48/84/42/527488442.db2.gz CZQUBOSGZNEXJD-YJBOKZPZSA-N 1 0 314.429 3.135 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424294894 527499191 /nfs/dbraw/zinc/49/91/91/527499191.db2.gz LRPCUOAZRBARGS-JZXOWHBKSA-N 1 0 316.401 3.097 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415671065 527506324 /nfs/dbraw/zinc/50/63/24/527506324.db2.gz JBIKPGIPCPUWOB-LJQANCHMSA-N 1 0 313.445 3.413 10 30 DGEERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000133782455 528230791 /nfs/dbraw/zinc/23/07/91/528230791.db2.gz WEGILGUEZYVXQS-RDJZCZTQSA-N 1 0 316.449 3.061 10 30 DGEERO CC[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1C[C@H]1C ZINC000261686183 528809140 /nfs/dbraw/zinc/80/91/40/528809140.db2.gz IAWRMXHIACOMJE-FVCCEPFGSA-N 1 0 305.388 3.319 10 30 DGEERO CC[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000184052523 529153759 /nfs/dbraw/zinc/15/37/59/529153759.db2.gz IZXQJXBSHOTWAE-CYBMUJFWSA-N 1 0 305.447 3.131 10 30 DGEERO CCc1cccc(NC(=[NH2+])NCc2nnc(C(C)C)s2)c1 ZINC000262407108 529177028 /nfs/dbraw/zinc/17/70/28/529177028.db2.gz OREQYNMXPMOCDD-UHFFFAOYSA-N 1 0 303.435 3.151 10 30 DGEERO COc1cccc2c1CC[N@H+](CCOc1ccccc1C#N)CC2 ZINC000489481819 536941960 /nfs/dbraw/zinc/94/19/60/536941960.db2.gz NKDQDQDKVLHDQH-UHFFFAOYSA-N 1 0 322.408 3.046 10 30 DGEERO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000181878406 546161984 /nfs/dbraw/zinc/16/19/84/546161984.db2.gz QDXDECGPFQBEAM-HNNXBMFYSA-N 1 0 320.371 3.109 10 30 DGEERO CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426742 547032160 /nfs/dbraw/zinc/03/21/60/547032160.db2.gz RWNUJTHFNLDRLE-DOTOQJQBSA-N 1 0 301.434 3.225 10 30 DGEERO CC(C)C[NH+]1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735306261 574696565 /nfs/dbraw/zinc/69/65/65/574696565.db2.gz LFGDIYINUJDQJY-UHFFFAOYSA-N 1 0 321.852 3.016 10 30 DGEERO CC(C)(C)C[N@H+](CCCO)Cc1cc(Cl)ccc1OCC#N ZINC000735309626 574696842 /nfs/dbraw/zinc/69/68/42/574696842.db2.gz QPHHZTRRMHUTFF-UHFFFAOYSA-N 1 0 324.852 3.473 10 30 DGEERO C#CCSCC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000742372327 574993619 /nfs/dbraw/zinc/99/36/19/574993619.db2.gz WRCWSFIXEIEUSL-UHFFFAOYSA-N 1 0 303.349 3.084 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)cc1 ZINC000742374298 574993636 /nfs/dbraw/zinc/99/36/36/574993636.db2.gz MKRQCGPPKOLDTG-IBGZPJMESA-N 1 0 315.413 3.459 10 30 DGEERO C=C(Br)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728685764 576195061 /nfs/dbraw/zinc/19/50/61/576195061.db2.gz FSBXSIWHQSOUQO-OAHLLOKOSA-N 1 0 315.299 3.483 10 30 DGEERO C=C(C)CNC(=S)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728446390 576183125 /nfs/dbraw/zinc/18/31/25/576183125.db2.gz SIQGWFKCOJIGFC-MRXNPFEDSA-N 1 0 309.523 3.025 10 30 DGEERO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C2 ZINC000540976242 620460204 /nfs/dbraw/zinc/46/02/04/620460204.db2.gz CDBZVKGYNIECTG-NHYWBVRUSA-N 1 0 310.376 3.004 10 30 DGEERO C=CCc1cc(OCC)cc(C[N@H+](C)C[C@H]2CCCO2)c1O ZINC000151719559 620471860 /nfs/dbraw/zinc/47/18/60/620471860.db2.gz VJYYAHHSTHNNDU-MRXNPFEDSA-N 1 0 305.418 3.130 10 30 DGEERO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000124037921 622882754 /nfs/dbraw/zinc/88/27/54/622882754.db2.gz VDYGZOVPJBBEIV-YJBOKZPZSA-N 1 0 304.434 3.254 10 30 DGEERO CC[N@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@H](C)C(C)C ZINC000131090451 625942303 /nfs/dbraw/zinc/94/23/03/625942303.db2.gz ZVCGCLHZUTXJEF-CQSZACIVSA-N 1 0 311.433 3.449 10 30 DGEERO C#CCC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185303584 660214464 /nfs/dbraw/zinc/21/44/64/660214464.db2.gz ZWNKCRTVTNPRED-GOSISDBHSA-N 1 0 312.457 3.207 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000700849294 660640997 /nfs/dbraw/zinc/64/09/97/660640997.db2.gz VGJJKDOHQVTVNM-HUUCEWRRSA-N 1 0 312.454 3.005 10 30 DGEERO C#CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000709393745 660928173 /nfs/dbraw/zinc/92/81/73/660928173.db2.gz VMAQYMWZRVZCRQ-FPCVCCKLSA-N 1 0 306.450 3.166 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCOc2ccc(F)cc2F)cc1 ZINC000237772282 655797658 /nfs/dbraw/zinc/79/76/58/655797658.db2.gz SLLWZVZMMVQYAS-UHFFFAOYSA-N 1 0 317.335 3.145 10 30 DGEERO C[C@H]1CCN(Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000721596851 655861857 /nfs/dbraw/zinc/86/18/57/655861857.db2.gz HFOROJOFFCISTM-KRWDZBQOSA-N 1 0 320.440 3.050 10 30 DGEERO COc1ccc(C[NH2+]CCc2cc(F)ccc2F)cc1C#N ZINC000177582337 655933334 /nfs/dbraw/zinc/93/33/34/655933334.db2.gz UNABBGCEOBMMJN-UHFFFAOYSA-N 1 0 302.324 3.177 10 30 DGEERO Cc1ccc2c(CC/N=C/c3ccc(O)c(O)c3O)cn(C)c2c1 ZINC000186945581 656134588 /nfs/dbraw/zinc/13/45/88/656134588.db2.gz VFZPBKMUZGGEND-KEBDBYFISA-N 1 0 324.380 3.265 10 30 DGEERO C#CCCCCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162409812 656142931 /nfs/dbraw/zinc/14/29/31/656142931.db2.gz WXLYSYUYYMPQLU-FQEVSTJZSA-N 1 0 312.457 3.351 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000716936229 661234315 /nfs/dbraw/zinc/23/43/15/661234315.db2.gz RZJJENJLUAMXBL-LLVKDONJSA-N 1 0 316.626 3.230 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000716959026 661235535 /nfs/dbraw/zinc/23/55/35/661235535.db2.gz WLYDKUPJMMDUPE-IBGZPJMESA-N 1 0 309.409 3.394 10 30 DGEERO Cc1cnc(CC[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000093807195 656404101 /nfs/dbraw/zinc/40/41/01/656404101.db2.gz DFHSINZZDXXONO-ZDUSSCGKSA-N 1 0 315.442 3.417 10 30 DGEERO CC1(C)CCC[C@@](O)(CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262286964 657491788 /nfs/dbraw/zinc/49/17/88/657491788.db2.gz MRXQEDPSYWERQN-INIZCTEOSA-N 1 0 311.376 3.023 10 30 DGEERO COC(=O)CCCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000303869220 657568753 /nfs/dbraw/zinc/56/87/53/657568753.db2.gz DSORYIGGRHPTKW-UHFFFAOYSA-N 1 0 317.433 3.284 10 30 DGEERO Cc1nn(C)c(C)c1CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303902630 657577181 /nfs/dbraw/zinc/57/71/81/657577181.db2.gz XYMHELCBICKBCG-UHFFFAOYSA-N 1 0 313.449 3.130 10 30 DGEERO C[C@H](CNC(=[NH2+])NC1CCCCC1)COCc1ccccc1 ZINC000303902548 657577378 /nfs/dbraw/zinc/57/73/78/657577378.db2.gz XWHZFSSRQBPDEV-OAHLLOKOSA-N 1 0 303.450 3.076 10 30 DGEERO CCc1cccc(NC(=[NH2+])NCCOc2ccc(F)cc2F)c1 ZINC000304712904 657644682 /nfs/dbraw/zinc/64/46/82/657644682.db2.gz MMAHUGSQDYGJQY-UHFFFAOYSA-N 1 0 319.355 3.333 10 30 DGEERO CC[C@@H](CNC(=[NH2+])NC1CCCCC1)Oc1ccccc1F ZINC000304754500 657647457 /nfs/dbraw/zinc/64/74/57/657647457.db2.gz YWWHRLRQPJJYOF-AWEZNQCLSA-N 1 0 307.413 3.220 10 30 DGEERO Cc1ccc([C@H](C)CNC(=[NH2+])NCCc2cccs2)cc1 ZINC000304765324 657649971 /nfs/dbraw/zinc/64/99/71/657649971.db2.gz ZCJMYUNCUPLTQO-CQSZACIVSA-N 1 0 301.459 3.307 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000305001459 657663832 /nfs/dbraw/zinc/66/38/32/657663832.db2.gz BFZTVVWZQRQUBT-NVXWUHKLSA-N 1 0 311.429 3.276 10 30 DGEERO CCOc1cc(Cl)ccc1CNC(=[NH2+])NC1CCCCC1 ZINC000305193218 657694404 /nfs/dbraw/zinc/69/44/04/657694404.db2.gz HNEPMQIQAVOIEQ-UHFFFAOYSA-N 1 0 309.841 3.476 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000303886013 657696820 /nfs/dbraw/zinc/69/68/20/657696820.db2.gz NPTSNUVMASBHOW-MRXNPFEDSA-N 1 0 322.456 3.168 10 30 DGEERO CCN(CC)[C@@H](CNC(=[NH2+])Nc1cccc(C)c1)c1ccco1 ZINC000303872231 657697659 /nfs/dbraw/zinc/69/76/59/657697659.db2.gz GCLYFYQFDCNSKG-INIZCTEOSA-N 1 0 314.433 3.398 10 30 DGEERO CO[C@H](C)c1nc(CNC(=[NH2+])Nc2cccc(C)c2)cs1 ZINC000262822024 658042977 /nfs/dbraw/zinc/04/29/77/658042977.db2.gz PVEHEZMLDVFXQR-LLVKDONJSA-N 1 0 304.419 3.086 10 30 DGEERO [NH2+]=C(NC[C@@H]1CC12CCOCC2)Nc1cccc2c1CCCC2 ZINC000262815689 658416161 /nfs/dbraw/zinc/41/61/61/658416161.db2.gz OVUDLEGWHMNTEE-HNNXBMFYSA-N 1 0 313.445 3.109 10 30 DGEERO CC[NH+]=C(NCC1CCSCC1)N[C@H](C)c1ccc(C)o1 ZINC000086837700 658606353 /nfs/dbraw/zinc/60/63/53/658606353.db2.gz VTRNPXFUUFTLKR-CYBMUJFWSA-N 1 0 309.479 3.347 10 30 DGEERO C[NH+]=C(NCc1nccn1CC(C)C)NC1C[C@H](C)C[C@@H](C)C1 ZINC000089068180 658644797 /nfs/dbraw/zinc/64/47/97/658644797.db2.gz GQWLRNWFFACFLD-HUUCEWRRSA-N 1 0 319.497 3.029 10 30 DGEERO COc1ccccc1CNC(=[NH2+])NCc1ccc(SC)cc1 ZINC000170910170 659246923 /nfs/dbraw/zinc/24/69/23/659246923.db2.gz AMLIRDXOFUUHEI-UHFFFAOYSA-N 1 0 315.442 3.022 10 30 DGEERO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C(C)C ZINC000353462248 659984467 /nfs/dbraw/zinc/98/44/67/659984467.db2.gz OILWSCLWUBUTHJ-SJLPKXTDSA-N 1 0 302.466 3.075 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000075734941 661945334 /nfs/dbraw/zinc/94/53/34/661945334.db2.gz LZAJNOFTYPFVSS-KRWDZBQOSA-N 1 0 301.361 3.214 10 30 DGEERO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000077456049 662027228 /nfs/dbraw/zinc/02/72/28/662027228.db2.gz PCPUTKKYZACWJU-IBGZPJMESA-N 1 0 317.477 3.313 10 30 DGEERO Fc1cccc(C2([NH2+]CC#Cc3ccccc3)CCOCC2)c1 ZINC000192117455 662088475 /nfs/dbraw/zinc/08/84/75/662088475.db2.gz HOGSIVKPWSEPMB-UHFFFAOYSA-N 1 0 309.384 3.473 10 30 DGEERO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000192151881 662088960 /nfs/dbraw/zinc/08/89/60/662088960.db2.gz LUVWXZWUSJHQFY-HNNXBMFYSA-N 1 0 304.393 3.274 10 30 DGEERO C#CCCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000245764991 662240778 /nfs/dbraw/zinc/24/07/78/662240778.db2.gz QLTKIIQPUJTDLT-ICSRJNTNSA-N 1 0 313.441 3.216 10 30 DGEERO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000720200616 662306287 /nfs/dbraw/zinc/30/62/87/662306287.db2.gz JNMADWZQRCITEC-JTQLQIEISA-N 1 0 311.223 3.224 10 30 DGEERO C#CC[C@H](COC)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000716949197 685275933 /nfs/dbraw/zinc/27/59/33/685275933.db2.gz SJQFYTOWHBJPGF-IUODEOHRSA-N 1 0 310.235 3.008 10 30 DGEERO CC[N@@H+]1CCC[C@@H]1CNc1cc(Br)ccc1C#N ZINC000123086646 1199352599 /nfs/dbraw/zinc/35/25/99/1199352599.db2.gz RSISDWHCPMZCSX-CYBMUJFWSA-N 1 0 308.223 3.217 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@@H](O)c2ccsc2)cc(OC)c1O ZINC000304306455 1199646250 /nfs/dbraw/zinc/64/62/50/1199646250.db2.gz POSXVZUPDSDNJD-OAHLLOKOSA-N 1 0 319.426 3.014 10 30 DGEERO C=CCc1cc(C[NH2+][C@H](C)C2CCOCC2)cc(OC)c1O ZINC000134478699 1201201604 /nfs/dbraw/zinc/20/16/04/1201201604.db2.gz ANECZZKKBMUACO-CYBMUJFWSA-N 1 0 305.418 3.034 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2cc(C)n[nH]2)cc1OC ZINC000136762786 1201215324 /nfs/dbraw/zinc/21/53/24/1201215324.db2.gz LASHDEFLFUPDOV-ZDUSSCGKSA-N 1 0 315.417 3.012 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCN2CCCCCC2)cc1OC ZINC000237168676 1202652818 /nfs/dbraw/zinc/65/28/18/1202652818.db2.gz OJRIHRGGQBPVFU-UHFFFAOYSA-N 1 0 318.461 3.226 10 30 DGEERO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000029415443 717119491 /nfs/dbraw/zinc/11/94/91/717119491.db2.gz ANFGCCAPARUJLN-MRXNPFEDSA-N 1 0 303.470 3.361 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[N+](C)(C)C2CCCC2)cc1[N+](=O)[O-] ZINC000029415082 717119018 /nfs/dbraw/zinc/11/90/18/717119018.db2.gz LRZJYEYKFVJUGU-ZDUSSCGKSA-O 1 0 320.413 3.249 10 30 DGEERO Cc1cc2c(cc1C)[N@@+](CC(N)=O)(Cc1ccc(F)cc1)C=N2 ZINC000249700084 717164790 /nfs/dbraw/zinc/16/47/90/717164790.db2.gz GKRQIDDXWWUWSF-JOCHJYFZSA-O 1 0 312.368 3.109 10 30 DGEERO N#Cc1ccccc1OCC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000064794375 1097244863 /nfs/dbraw/zinc/24/48/63/1097244863.db2.gz VZUXZNVULKNRHM-UHFFFAOYSA-N 1 0 322.408 3.480 10 30 DGEERO CC[C@@]1(C)CCN(C(NCc2ccn(C3CCCC3)n2)=[NH+]C)C1 ZINC000261748746 529524336 /nfs/dbraw/zinc/52/43/36/529524336.db2.gz LODKLKRAEYMOOR-SFHVURJKSA-N 1 0 317.481 3.196 10 30 DGEERO CCc1cc[n+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000160078376 529573580 /nfs/dbraw/zinc/57/35/80/529573580.db2.gz FTZJEGCRNHFIRR-MRXNPFEDSA-N 1 0 319.787 3.307 10 30 DGEERO Cc1nc2c(s1)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)CCC2 ZINC000090106972 185282505 /nfs/dbraw/zinc/28/25/05/185282505.db2.gz LUDVWBZCSJLDRS-HNNXBMFYSA-N 1 0 313.426 3.369 10 30 DGEERO CN(Cc1ccc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310132886 529984162 /nfs/dbraw/zinc/98/41/62/529984162.db2.gz LAUVHCPIYCZATR-IBGZPJMESA-N 1 0 323.415 3.404 10 30 DGEERO CC[N@@H+]1CCC[C@@H](Nc2ccc(Br)cc2C#N)C1 ZINC000130435791 432024946 /nfs/dbraw/zinc/02/49/46/432024946.db2.gz UMTHWSOSHMJSJV-CYBMUJFWSA-N 1 0 308.223 3.217 10 30 DGEERO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000152496474 186079339 /nfs/dbraw/zinc/07/93/39/186079339.db2.gz VCNUXZFLCCCWOF-HIFRSBDPSA-N 1 0 322.836 3.089 10 30 DGEERO CCC[N@@H+](Cc1ccc(C#N)cc1OC)C[C@H]1CCCCO1 ZINC000121390998 283293590 /nfs/dbraw/zinc/29/35/90/283293590.db2.gz FSGFMTYHIBFTJB-QGZVFWFLSA-N 1 0 302.418 3.348 10 30 DGEERO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179463704 199040150 /nfs/dbraw/zinc/04/01/50/199040150.db2.gz OZMLKZDUBITLET-IAGOWNOFSA-N 1 0 301.434 3.039 10 30 DGEERO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1F ZINC000281398203 216272085 /nfs/dbraw/zinc/27/20/85/216272085.db2.gz NHPQDODYGXHJOU-NXHRZFHOSA-N 1 0 302.393 3.213 10 30 DGEERO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC23CCC3)cc1Cl ZINC000444787264 239354559 /nfs/dbraw/zinc/35/45/59/239354559.db2.gz QRONVGHANGYXMX-UHFFFAOYSA-N 1 0 303.793 3.169 10 30 DGEERO Cn1cc(C[NH+]2CCC(C)(C#N)CC2)c(-c2ccc(F)cc2)n1 ZINC000449231535 240081374 /nfs/dbraw/zinc/08/13/74/240081374.db2.gz PDXUQEOFNMHBSX-UHFFFAOYSA-N 1 0 312.392 3.352 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458277600 243017493 /nfs/dbraw/zinc/01/74/93/243017493.db2.gz DZPCOTILZQQAHY-CYBMUJFWSA-N 1 0 308.397 3.307 10 30 DGEERO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1ccc(C#N)o1 ZINC000093812068 193312130 /nfs/dbraw/zinc/31/21/30/193312130.db2.gz LYIKHRRSPXAQRH-UHFFFAOYSA-N 1 0 317.355 3.247 10 30 DGEERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CCC#N)C1CC1 ZINC000042955423 183321881 /nfs/dbraw/zinc/32/18/81/183321881.db2.gz VPWCZOAJSNOECF-NHYWBVRUSA-N 1 0 322.250 3.215 10 30 DGEERO CCN(C[C@H](C)C#N)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955157 183322238 /nfs/dbraw/zinc/32/22/38/183322238.db2.gz MUPMWNRYIIJGLZ-LALPHHSUSA-N 1 0 324.266 3.319 10 30 DGEERO CC(C)N(CCC#N)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043021804 183329901 /nfs/dbraw/zinc/32/99/01/183329901.db2.gz AJEISTXYWCSVAO-CQSZACIVSA-N 1 0 310.239 3.073 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000159500017 197358905 /nfs/dbraw/zinc/35/89/05/197358905.db2.gz LAJIMWRLTZMWCP-QGZVFWFLSA-N 1 0 323.396 3.027 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000105897138 194161622 /nfs/dbraw/zinc/16/16/22/194161622.db2.gz WTUSABCCTOHNHI-MRXNPFEDSA-N 1 0 312.392 3.293 10 30 DGEERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@@H](C)C#N ZINC000062733068 184251014 /nfs/dbraw/zinc/25/10/14/184251014.db2.gz ITJYYXQVKLCGJD-VIFPVBQESA-N 1 0 303.189 3.020 10 30 DGEERO Cc1cc(C#N)cc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000342792061 254051122 /nfs/dbraw/zinc/05/11/22/254051122.db2.gz SCTOOHGIBFEEQE-LJQANCHMSA-N 1 0 320.440 3.363 10 30 DGEERO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-n2cncn2)cc1 ZINC000442870506 533366479 /nfs/dbraw/zinc/36/64/79/533366479.db2.gz DFYHCXFAIDIDOZ-QQFBHYJXSA-N 1 0 309.417 3.248 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595078105 400100583 /nfs/dbraw/zinc/10/05/83/400100583.db2.gz TYHGMJOHSPDQAP-RDJZCZTQSA-N 1 0 318.417 3.488 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000581888211 400083218 /nfs/dbraw/zinc/08/32/18/400083218.db2.gz VUOYDRDIGGQKKC-APWZRJJASA-N 1 0 300.446 3.370 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000092510204 400177514 /nfs/dbraw/zinc/17/75/14/400177514.db2.gz NUHDCDKUABSZCV-QGZVFWFLSA-N 1 0 316.445 3.084 10 30 DGEERO Cn1ccnc1C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000610272727 400230340 /nfs/dbraw/zinc/23/03/40/400230340.db2.gz HGCAZYBMWLELMX-IBGZPJMESA-N 1 0 316.408 3.365 10 30 DGEERO COC(=O)C(C)(C)[C@@H]([NH2+]CCCSCC#N)c1ccccc1 ZINC000611405774 400394575 /nfs/dbraw/zinc/39/45/75/400394575.db2.gz QEONUKUCTPYTQH-HNNXBMFYSA-N 1 0 320.458 3.163 10 30 DGEERO C=CCCC1(CNC(=O)c2ccc(C[NH+](C)C)nc2)CCCC1 ZINC000617417765 400385038 /nfs/dbraw/zinc/38/50/38/400385038.db2.gz FYWOWNZGYDXLRN-UHFFFAOYSA-N 1 0 315.461 3.400 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1F ZINC000611589264 400428168 /nfs/dbraw/zinc/42/81/68/400428168.db2.gz WANSITKRKBWAQX-IPQOISQHSA-N 1 0 316.401 3.286 10 30 DGEERO Cn1ccnc1C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000618569934 400625925 /nfs/dbraw/zinc/62/59/25/400625925.db2.gz HXEHDUHMQUULSB-SZMVWBNQSA-N 1 0 308.429 3.376 10 30 DGEERO CCCN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1ccccc1 ZINC000150193472 400663435 /nfs/dbraw/zinc/66/34/35/400663435.db2.gz HTBFXMHWZQJLBO-MFVBVHDHSA-N 1 0 309.480 3.356 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000593613006 400881272 /nfs/dbraw/zinc/88/12/72/400881272.db2.gz FNWTUPPIDZACBG-SZVBFZGTSA-N 1 0 323.440 3.388 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2nc(C(=O)OCC)cs2)C1 ZINC000593625476 400883699 /nfs/dbraw/zinc/88/36/99/400883699.db2.gz LGWAQPYWWKZRNK-CHWSQXEVSA-N 1 0 308.447 3.197 10 30 DGEERO COc1ccccc1/C=C/C[NH2+]CCOc1ccc(C#N)cc1 ZINC000174557807 400859607 /nfs/dbraw/zinc/85/96/07/400859607.db2.gz IVTACNHGGULJPU-GQCTYLIASA-N 1 0 308.381 3.249 10 30 DGEERO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000614242825 400861536 /nfs/dbraw/zinc/86/15/36/400861536.db2.gz YNAOJAXMFOLGOO-INIZCTEOSA-N 1 0 309.413 3.120 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000620304008 401050375 /nfs/dbraw/zinc/05/03/75/401050375.db2.gz MTDJQAYICZESDA-KSZLIROESA-N 1 0 302.462 3.493 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000620312986 401053550 /nfs/dbraw/zinc/05/35/50/401053550.db2.gz SAIYANLLSVAQJM-OTWHNJEPSA-N 1 0 310.441 3.361 10 30 DGEERO C=CCC1(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCCCC1 ZINC000620978757 401027362 /nfs/dbraw/zinc/02/73/62/401027362.db2.gz MYBUEAKJOFWPOY-QGZVFWFLSA-N 1 0 322.493 3.082 10 30 DGEERO C=CCCC[N@@H+](C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246843775 401038245 /nfs/dbraw/zinc/03/82/45/401038245.db2.gz VDBVVJFFLWOXSJ-MJGOQNOKSA-N 1 0 303.446 3.340 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600184919 401212553 /nfs/dbraw/zinc/21/25/53/401212553.db2.gz IQGYPQQPQGVQPG-LBPRGKRZSA-N 1 0 306.362 3.010 10 30 DGEERO C=CC[C@H]1CCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000625702078 401186101 /nfs/dbraw/zinc/18/61/01/401186101.db2.gz MVJJWADKRJQUTM-NSHDSACASA-N 1 0 305.328 3.413 10 30 DGEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(SC)cc2)C1 ZINC000625701899 401186429 /nfs/dbraw/zinc/18/64/29/401186429.db2.gz LZDBKAXWTNTPEZ-LSDHHAIUSA-N 1 0 307.459 3.046 10 30 DGEERO C=CC[C@@H]1CCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000625702076 401186622 /nfs/dbraw/zinc/18/66/22/401186622.db2.gz MVJJWADKRJQUTM-LLVKDONJSA-N 1 0 305.328 3.413 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000625704561 401187513 /nfs/dbraw/zinc/18/75/13/401187513.db2.gz ONQFENAMRXXYKS-ZDUSSCGKSA-N 1 0 315.442 3.157 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2nc(-c3ccc(C)c(OC)c3)no2)C1 ZINC000625703391 401188275 /nfs/dbraw/zinc/18/82/75/401188275.db2.gz KPTMLBIVZSSHAQ-AWEZNQCLSA-N 1 0 313.401 3.452 10 30 DGEERO CC[N@H+](C[C@@H](O)COC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000065432987 401265582 /nfs/dbraw/zinc/26/55/82/401265582.db2.gz HXKSBTCRYDBXBN-RHSMWYFYSA-N 1 0 304.434 3.117 10 30 DGEERO C=CCn1c(C(C)C)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000634341512 401266820 /nfs/dbraw/zinc/26/68/20/401266820.db2.gz AUZZYAYOGMFINV-UHFFFAOYSA-N 1 0 317.481 3.042 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000626289447 401335596 /nfs/dbraw/zinc/33/55/96/401335596.db2.gz WEKAECACVMOJHJ-OAHLLOKOSA-N 1 0 317.433 3.057 10 30 DGEERO C=CC[C@H]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000626527124 401370090 /nfs/dbraw/zinc/37/00/90/401370090.db2.gz MZJXHIPRHSCUGC-HNNXBMFYSA-N 1 0 301.434 3.221 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)ccc1OC ZINC000631220682 401430147 /nfs/dbraw/zinc/43/01/47/401430147.db2.gz WIICSVQGJWIMRD-IIAWOOMASA-N 1 0 305.418 3.306 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000627120663 401446859 /nfs/dbraw/zinc/44/68/59/401446859.db2.gz HVQMKBKGVQDAND-MRXNPFEDSA-N 1 0 307.482 3.010 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCOc1ccc(C)cc1 ZINC000623051259 401459009 /nfs/dbraw/zinc/45/90/09/401459009.db2.gz RILFKSVEAAZTOK-KRWDZBQOSA-N 1 0 318.461 3.119 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000623388597 401506405 /nfs/dbraw/zinc/50/64/05/401506405.db2.gz OEMCBTGESNINOB-KRWDZBQOSA-N 1 0 315.461 3.116 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCc2ccccc2Cn2ccnc2)C1 ZINC000623400771 401508457 /nfs/dbraw/zinc/50/84/57/401508457.db2.gz FICNSBDCEFOMSC-INIZCTEOSA-N 1 0 324.428 3.039 10 30 DGEERO C=C(CC)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627685363 401484590 /nfs/dbraw/zinc/48/45/90/401484590.db2.gz QZOGLFLGXPGEIS-RBUKOAKNSA-N 1 0 312.457 3.227 10 30 DGEERO C=CC(C)(C)CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000628314182 401574654 /nfs/dbraw/zinc/57/46/54/401574654.db2.gz PJEBHIJPDZMRDA-UHFFFAOYSA-N 1 0 300.446 3.153 10 30 DGEERO C=CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000628405379 401591784 /nfs/dbraw/zinc/59/17/84/401591784.db2.gz KKMKXUAHWSXDRJ-ZDUSSCGKSA-N 1 0 311.385 3.203 10 30 DGEERO C=CCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CCOC2)cc1OC ZINC000628163599 401540224 /nfs/dbraw/zinc/54/02/24/401540224.db2.gz KICDUCXSNGUEMR-CYBMUJFWSA-N 1 0 311.809 3.134 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000623592655 401552017 /nfs/dbraw/zinc/55/20/17/401552017.db2.gz WINIWBORBZBRJM-UHFFFAOYSA-N 1 0 313.445 3.176 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C/C=C\C)C2)CC1 ZINC000623635100 401559507 /nfs/dbraw/zinc/55/95/07/401559507.db2.gz URWAHHVGBKDNSM-OICCZTGUSA-N 1 0 305.466 3.025 10 30 DGEERO C=CC[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000628486367 401606615 /nfs/dbraw/zinc/60/66/15/401606615.db2.gz HCIXTBUTJINTLM-KRWDZBQOSA-N 1 0 312.457 3.323 10 30 DGEERO C=CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000628964731 401651107 /nfs/dbraw/zinc/65/11/07/401651107.db2.gz GVVAHVFMSWECEV-OALUTQOASA-N 1 0 312.457 3.479 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187232204 165082530 /nfs/dbraw/zinc/08/25/30/165082530.db2.gz ZXOXYTQVTUOCFR-KXBFYZLASA-N 1 0 321.424 3.288 10 30 DGEERO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1c1ccco1 ZINC000246904721 432179821 /nfs/dbraw/zinc/17/98/21/432179821.db2.gz HCQZPQDVYFPYPV-CJNGLKHVSA-N 1 0 309.369 3.315 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2cc(F)cc3cccnc32)cc1 ZINC000150846785 432197071 /nfs/dbraw/zinc/19/70/71/432197071.db2.gz OUXRJUQZYAEFDQ-UHFFFAOYSA-N 1 0 321.355 3.414 10 30 DGEERO C=CCC[C@H](O)C[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000247383473 432226132 /nfs/dbraw/zinc/22/61/32/432226132.db2.gz LGLYGZSKFRAOEI-ZIFCJYIRSA-N 1 0 303.446 3.392 10 30 DGEERO C=C(Br)CN1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151118471 432222384 /nfs/dbraw/zinc/22/23/84/432222384.db2.gz QREAZIBVTHSWCN-CYBMUJFWSA-N 1 0 310.239 3.032 10 30 DGEERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)cn1 ZINC000128419826 227008638 /nfs/dbraw/zinc/00/86/38/227008638.db2.gz JEZBVZKZNXAVHN-KRWDZBQOSA-N 1 0 324.428 3.092 10 30 DGEERO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000182838377 432235197 /nfs/dbraw/zinc/23/51/97/432235197.db2.gz WHGYXKVXZWGATO-UHFFFAOYSA-N 1 0 307.397 3.305 10 30 DGEERO N#Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000374760688 268261809 /nfs/dbraw/zinc/26/18/09/268261809.db2.gz MVMLEQOTGOHBNW-MOPGFXCFSA-N 1 0 318.424 3.197 10 30 DGEERO N#Cc1ccnc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000376389196 268296997 /nfs/dbraw/zinc/29/69/97/268296997.db2.gz ZWQDHKXDKFJHOT-UHFFFAOYSA-N 1 0 324.350 3.170 10 30 DGEERO N#Cc1ncccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000377993114 268327133 /nfs/dbraw/zinc/32/71/33/268327133.db2.gz RWBFIEYQUCFCDO-MSOLQXFVSA-N 1 0 318.424 3.197 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000151403454 432244195 /nfs/dbraw/zinc/24/41/95/432244195.db2.gz JGKILIVLWCAVCK-SJLPKXTDSA-N 1 0 319.470 3.396 10 30 DGEERO CO[C@H](C)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000328769419 274076169 /nfs/dbraw/zinc/07/61/69/274076169.db2.gz ILPDSJYSRLEQMY-XOKHGSTOSA-N 1 0 317.433 3.156 10 30 DGEERO C#CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC000126549462 275384911 /nfs/dbraw/zinc/38/49/11/275384911.db2.gz PSXYDIKIIQHMTL-BPIHKTFHSA-N 1 0 312.457 3.365 10 30 DGEERO C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415971926 276923728 /nfs/dbraw/zinc/92/37/28/276923728.db2.gz KLOKLPUZSFMHJB-ZDUSSCGKSA-N 1 0 303.381 3.044 10 30 DGEERO C=CC[N@@H+](CCOCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000068825489 431143674 /nfs/dbraw/zinc/14/36/74/431143674.db2.gz DSZBNCSNQSJBRH-UHFFFAOYSA-N 1 0 318.295 3.162 10 30 DGEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070742992 431257876 /nfs/dbraw/zinc/25/78/76/431257876.db2.gz LUOAPPLGHDSADS-ZJUUUORDSA-N 1 0 301.217 3.335 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000073716801 431378785 /nfs/dbraw/zinc/37/87/85/431378785.db2.gz XZJFQRBLFPZRCY-OLZOCXBDSA-N 1 0 308.372 3.205 10 30 DGEERO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116288758 431500414 /nfs/dbraw/zinc/50/04/14/431500414.db2.gz CSPGVDZJTGHFJR-MRXNPFEDSA-N 1 0 309.369 3.317 10 30 DGEERO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000118397972 431602358 /nfs/dbraw/zinc/60/23/58/431602358.db2.gz OAINVXBBWLQKBU-HNNXBMFYSA-N 1 0 321.428 3.010 10 30 DGEERO COc1cc(C#N)ccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000121053616 431741928 /nfs/dbraw/zinc/74/19/28/431741928.db2.gz FRCBHWWAXXDNMF-SFHVURJKSA-N 1 0 314.429 3.490 10 30 DGEERO CC(C)Oc1ccccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123406178 431863974 /nfs/dbraw/zinc/86/39/74/431863974.db2.gz RMZRPGWVCLDRDD-UHFFFAOYSA-N 1 0 320.396 3.283 10 30 DGEERO C=CCOc1ccccc1C[NH+]1CCC(OCCCOC)CC1 ZINC000093561414 431915863 /nfs/dbraw/zinc/91/58/63/431915863.db2.gz OBSWRXTYLNLOKZ-UHFFFAOYSA-N 1 0 319.445 3.269 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000126687917 431955975 /nfs/dbraw/zinc/95/59/75/431955975.db2.gz DSYLMEVQYAXYNL-CABCVRRESA-N 1 0 304.409 3.374 10 30 DGEERO CC(C)COC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000054322169 431969380 /nfs/dbraw/zinc/96/93/80/431969380.db2.gz UHEOVWRUSJCSEB-UHFFFAOYSA-N 1 0 302.418 3.074 10 30 DGEERO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248400418 432285326 /nfs/dbraw/zinc/28/53/26/432285326.db2.gz XRAPIPRIVXCWTO-IEBWSBKVSA-N 1 0 313.445 3.084 10 30 DGEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000248392319 432285405 /nfs/dbraw/zinc/28/54/05/432285405.db2.gz FHJYRAKSUMBDAI-JQHSSLGASA-N 1 0 313.445 3.036 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000151943323 432290768 /nfs/dbraw/zinc/29/07/68/432290768.db2.gz LDPAGDXCAPWVMX-OAHLLOKOSA-N 1 0 321.490 3.493 10 30 DGEERO CN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000173190663 432262876 /nfs/dbraw/zinc/26/28/76/432262876.db2.gz NMTYVZBWCUBPSK-UHFFFAOYSA-N 1 0 311.404 3.261 10 30 DGEERO CCCCCNC(=O)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191936615 432316990 /nfs/dbraw/zinc/31/69/90/432316990.db2.gz JEEQQMKGXXNRJK-UHFFFAOYSA-N 1 0 312.457 3.057 10 30 DGEERO C(#Cc1ccccc1)C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000248911647 432330032 /nfs/dbraw/zinc/33/00/32/432330032.db2.gz YDOTZKIUXLOLKY-ZWKOTPCHSA-N 1 0 301.455 3.025 10 30 DGEERO CCCCNC(=O)C1([NH2+]CC#Cc2ccccc2)CCCCC1 ZINC000192115952 432333598 /nfs/dbraw/zinc/33/35/98/432333598.db2.gz UURXCZFEXYBLHX-UHFFFAOYSA-N 1 0 312.457 3.247 10 30 DGEERO C=C[C@@H](CC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000252801403 432389005 /nfs/dbraw/zinc/38/90/05/432389005.db2.gz JLODSMFXIKDROA-FUHWJXTLSA-N 1 0 300.446 3.289 10 30 DGEERO Cc1cccc(O[C@@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000174571446 432359210 /nfs/dbraw/zinc/35/92/10/432359210.db2.gz UAOZQKYHHTWGLN-HNNXBMFYSA-N 1 0 320.396 3.072 10 30 DGEERO CCO[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000174654252 432360981 /nfs/dbraw/zinc/36/09/81/432360981.db2.gz IQRXXKODFZDRNP-SJORKVTESA-N 1 0 324.428 3.033 10 30 DGEERO CC#CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185303612 432488653 /nfs/dbraw/zinc/48/86/53/432488653.db2.gz DXZUJTIVUGGMQD-IBGZPJMESA-N 1 0 312.457 3.351 10 30 DGEERO C=CCCCCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000193336026 432466770 /nfs/dbraw/zinc/46/67/70/432466770.db2.gz PAJZJJPCUPGCKT-IBGZPJMESA-N 1 0 302.462 3.084 10 30 DGEERO C[NH+]=C(NCc1cc(Br)cs1)N[C@H](C)C(C)C ZINC000263242420 432528807 /nfs/dbraw/zinc/52/88/07/432528807.db2.gz LQUNGAPTAXKMAX-SECBINFHSA-N 1 0 318.284 3.220 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185838133 432537519 /nfs/dbraw/zinc/53/75/19/432537519.db2.gz ANBCEPVDQXVDGK-XYJFISCASA-N 1 0 300.446 3.368 10 30 DGEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177171586 432593778 /nfs/dbraw/zinc/59/37/78/432593778.db2.gz CSZAMPNLSKHZHA-RHSMWYFYSA-N 1 0 322.374 3.225 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160022345 432704364 /nfs/dbraw/zinc/70/43/64/432704364.db2.gz AORWMRQMIXZXBM-WMZOPIPTSA-N 1 0 315.461 3.257 10 30 DGEERO C=CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000188225166 432713012 /nfs/dbraw/zinc/71/30/12/432713012.db2.gz UYPRYXQTSFBOIN-SZMVWBNQSA-N 1 0 300.446 3.287 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178659126 432763597 /nfs/dbraw/zinc/76/35/97/432763597.db2.gz ZPKZGRDDUDFNSG-ZDUSSCGKSA-N 1 0 311.341 3.196 10 30 DGEERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000245770243 432861962 /nfs/dbraw/zinc/86/19/62/432861962.db2.gz ROMXXRKEXKTKDV-SJLPKXTDSA-N 1 0 324.428 3.320 10 30 DGEERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(OCC#N)cc1 ZINC000245964481 432873536 /nfs/dbraw/zinc/87/35/36/432873536.db2.gz YVOJXXRYNURIHO-DXEWXGHRSA-N 1 0 300.402 3.053 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C3CCC3)cn2)CC1 ZINC000296928746 432939820 /nfs/dbraw/zinc/93/98/20/432939820.db2.gz ITQKVYNDYHUQMT-UHFFFAOYSA-N 1 0 314.433 3.121 10 30 DGEERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000330199409 432897377 /nfs/dbraw/zinc/89/73/77/432897377.db2.gz VJRFKCJWMPZIPR-KLHDSHLOSA-N 1 0 318.465 3.162 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000330242014 432899805 /nfs/dbraw/zinc/89/98/05/432899805.db2.gz FYNJMVBGRQAPRB-LNHVQRHZSA-N 1 0 310.344 3.098 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453330870 433096275 /nfs/dbraw/zinc/09/62/75/433096275.db2.gz BHQMHYUNMXVHSZ-LESCRADOSA-N 1 0 311.429 3.471 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000425601703 433317766 /nfs/dbraw/zinc/31/77/66/433317766.db2.gz GUWDNWAQJICMMA-NVXWUHKLSA-N 1 0 300.446 3.498 10 30 DGEERO C=CCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374826889 433286080 /nfs/dbraw/zinc/28/60/80/433286080.db2.gz ZCKOUQNQTHNNRV-OAHLLOKOSA-N 1 0 316.449 3.294 10 30 DGEERO C=CCN1CCC([NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281329316 433286318 /nfs/dbraw/zinc/28/63/18/433286318.db2.gz TXDMWIOSCAVCFF-QGZVFWFLSA-N 1 0 304.409 3.062 10 30 DGEERO C=CCCCNC(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000447968605 433336368 /nfs/dbraw/zinc/33/63/68/433336368.db2.gz QPYRDZFEQFNSFQ-GOSISDBHSA-N 1 0 315.461 3.089 10 30 DGEERO C=CC[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291896409 433385253 /nfs/dbraw/zinc/38/52/53/433385253.db2.gz JXPSURNPZDTZJX-UHFFFAOYSA-N 1 0 312.373 3.205 10 30 DGEERO C=CCCCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000448392504 433403851 /nfs/dbraw/zinc/40/38/51/433403851.db2.gz YXICLAKCEWHVPP-KRWDZBQOSA-N 1 0 307.482 3.106 10 30 DGEERO CCC[N@@H+]1CCCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301401081 433540072 /nfs/dbraw/zinc/54/00/72/433540072.db2.gz QDICGJYQGUGMGJ-UHFFFAOYSA-N 1 0 311.351 3.499 10 30 DGEERO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000351639587 433633625 /nfs/dbraw/zinc/63/36/25/433633625.db2.gz QJJWVOCARZNDRY-IRXDYDNUSA-N 1 0 301.434 3.087 10 30 DGEERO C=CCn1c(C)nnc1S[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283025757 433646427 /nfs/dbraw/zinc/64/64/27/433646427.db2.gz MMOTUOJFALNVTP-INIZCTEOSA-N 1 0 314.458 3.139 10 30 DGEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000362572265 433765697 /nfs/dbraw/zinc/76/56/97/433765697.db2.gz GLMAWTZOFAVHIH-ZDUSSCGKSA-N 1 0 315.442 3.148 10 30 DGEERO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000362572264 433767082 /nfs/dbraw/zinc/76/70/82/433767082.db2.gz GLMAWTZOFAVHIH-CYBMUJFWSA-N 1 0 315.442 3.148 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1 ZINC000376672859 433796054 /nfs/dbraw/zinc/79/60/54/433796054.db2.gz OZWZHVYPBIDTMH-KXBFYZLASA-N 1 0 324.428 3.438 10 30 DGEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000285185862 433917633 /nfs/dbraw/zinc/91/76/33/433917633.db2.gz ROKYIGYARQYMMQ-PMACEKPBSA-N 1 0 320.436 3.040 10 30 DGEERO C[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(C)C#N)[C@H]1c1cccs1 ZINC000377461797 433884017 /nfs/dbraw/zinc/88/40/17/433884017.db2.gz BNCMIKUIRUGTRS-BBRMVZONSA-N 1 0 319.474 3.187 10 30 DGEERO C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000346178570 434175865 /nfs/dbraw/zinc/17/58/65/434175865.db2.gz QINSWFLEOJZXFQ-ULQDDVLXSA-N 1 0 301.434 3.086 10 30 DGEERO C=CCCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000378480113 434196500 /nfs/dbraw/zinc/19/65/00/434196500.db2.gz DWFBAYDRWPRFGY-UHFFFAOYSA-N 1 0 311.429 3.017 10 30 DGEERO C=CCC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccco1 ZINC000364970333 434285559 /nfs/dbraw/zinc/28/55/59/434285559.db2.gz KOTMQBTXKIMGGW-DOTOQJQBSA-N 1 0 314.433 3.279 10 30 DGEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](C/C=C/c3ccccc3)C2)n1 ZINC000328630818 434290418 /nfs/dbraw/zinc/29/04/18/434290418.db2.gz QFVBNQGZOXERBY-ZGRWHYIRSA-N 1 0 310.401 3.451 10 30 DGEERO CCCCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328622567 434290541 /nfs/dbraw/zinc/29/05/41/434290541.db2.gz IMECHOOBCIWSMM-PVAVHDDUSA-N 1 0 319.449 3.236 10 30 DGEERO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccs2)[C@@H]1c1cccnc1 ZINC000328628550 434292219 /nfs/dbraw/zinc/29/22/19/434292219.db2.gz NVSNGZZDGBIMTD-YOEHRIQHSA-N 1 0 315.442 3.335 10 30 DGEERO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccsc2)[C@@H]1c1cccnc1 ZINC000328619957 434292507 /nfs/dbraw/zinc/29/25/07/434292507.db2.gz GNTSPSNVSQVITB-ZFWWWQNUSA-N 1 0 316.430 3.162 10 30 DGEERO O=C(C[NH2+][C@H]1CCC(=O)NC12CCC2)Nc1ccccc1F ZINC000328714543 434301671 /nfs/dbraw/zinc/30/16/71/434301671.db2.gz SMYTVXXRHXHTCF-ZDUSSCGKSA-N 1 0 305.353 3.045 10 30 DGEERO Cc1n[nH]c(C)c1NC(=O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000328792797 434312936 /nfs/dbraw/zinc/31/29/36/434312936.db2.gz ROVIIHKAHQPMKC-UHFFFAOYSA-N 1 0 302.422 3.029 10 30 DGEERO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830129 434317712 /nfs/dbraw/zinc/31/77/12/434317712.db2.gz KKNMMNLQXBIRAE-HYVNUMGLSA-N 1 0 321.428 3.343 10 30 DGEERO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000450710634 434356076 /nfs/dbraw/zinc/35/60/76/434356076.db2.gz CVNSNORBDQZULM-JLTOFOAXSA-N 1 0 322.408 3.216 10 30 DGEERO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(C#N)cc1F ZINC000358556368 434395581 /nfs/dbraw/zinc/39/55/81/434395581.db2.gz AUSRXFLJBOXACP-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358560222 434396156 /nfs/dbraw/zinc/39/61/56/434396156.db2.gz QJUGEUHUVDFRFU-HIFRSBDPSA-N 1 0 323.371 3.153 10 30 DGEERO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000358592127 434398028 /nfs/dbraw/zinc/39/80/28/434398028.db2.gz PLVVNWPKLHVQCQ-GFCCVEGCSA-N 1 0 306.381 3.470 10 30 DGEERO C[C@@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571699 434399684 /nfs/dbraw/zinc/39/96/84/434399684.db2.gz PITFLNSDIJAIRP-QLFBSQMISA-N 1 0 303.425 3.468 10 30 DGEERO C=CCCCS(=O)(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000451066681 434550590 /nfs/dbraw/zinc/55/05/90/434550590.db2.gz DFYBVMRIFYCRJW-UHFFFAOYSA-N 1 0 319.430 3.009 10 30 DGEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)cc1Cl ZINC000424074281 434614862 /nfs/dbraw/zinc/61/48/62/434614862.db2.gz GWHJQPHZCTZTSK-RNCFNFMXSA-N 1 0 314.216 3.192 10 30 DGEERO C=C(C)CN(CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000371062179 434636594 /nfs/dbraw/zinc/63/65/94/434636594.db2.gz AUNNQHAZQYTWRP-SJORKVTESA-N 1 0 319.424 3.179 10 30 DGEERO C=CCOc1cccc(CNC2CC([NH+]3CCCCC3)C2)c1 ZINC000370134033 434607489 /nfs/dbraw/zinc/60/74/89/434607489.db2.gz VDABYGCVBKWOKS-UHFFFAOYSA-N 1 0 300.446 3.358 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Br)cc1F ZINC000424177510 434647007 /nfs/dbraw/zinc/64/70/07/434647007.db2.gz UGFNEDMGYFRRNP-FZMZJTMJSA-N 1 0 314.198 3.269 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000424289746 434681341 /nfs/dbraw/zinc/68/13/41/434681341.db2.gz ADINYMBTTAJZCW-RCBQFDQVSA-N 1 0 305.443 3.413 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000424300487 434684784 /nfs/dbraw/zinc/68/47/84/434684784.db2.gz XXAVRLDCJQQBPP-LEUOFYLZSA-N 1 0 301.430 3.413 10 30 DGEERO C=CCCO[C@@H](C)C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000371566938 434732439 /nfs/dbraw/zinc/73/24/39/434732439.db2.gz XZNQOCNXFMRGGN-ZDUSSCGKSA-N 1 0 300.402 3.084 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000521600882 434888406 /nfs/dbraw/zinc/88/84/06/434888406.db2.gz OWPRBSXOWWTWTB-CGTJXYLNSA-N 1 0 321.509 3.397 10 30 DGEERO CC#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000462357830 434909220 /nfs/dbraw/zinc/90/92/20/434909220.db2.gz VNOOFXAOSICJHQ-FQEVSTJZSA-N 1 0 320.436 3.447 10 30 DGEERO C=CC[NH+]1CCC(N[C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527860791 435016154 /nfs/dbraw/zinc/01/61/54/435016154.db2.gz XUEYGLSDOARFPK-MRXNPFEDSA-N 1 0 324.472 3.388 10 30 DGEERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C12CCCC2 ZINC000574681679 434996713 /nfs/dbraw/zinc/99/67/13/434996713.db2.gz XKTWBDKDAWBMTM-ROUUACIJSA-N 1 0 314.429 3.394 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000466917036 435099978 /nfs/dbraw/zinc/09/99/78/435099978.db2.gz MCXCUNCTQUKEQE-LJQANCHMSA-N 1 0 311.425 3.253 10 30 DGEERO C=C(C)[C@H](CC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1)OCC ZINC000580655676 435236742 /nfs/dbraw/zinc/23/67/42/435236742.db2.gz FGGYATRVFCYTOO-KRWDZBQOSA-N 1 0 322.493 3.152 10 30 DGEERO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000512659707 435364765 /nfs/dbraw/zinc/36/47/65/435364765.db2.gz JJFQCWVWVLFNTF-LSDHHAIUSA-N 1 0 303.425 3.470 10 30 DGEERO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000535809801 435357508 /nfs/dbraw/zinc/35/75/08/435357508.db2.gz JDMPARIFEJYGAV-MSOLQXFVSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000540567469 435607484 /nfs/dbraw/zinc/60/74/84/435607484.db2.gz JOVMGFSRWTXDTM-MRXNPFEDSA-N 1 0 309.498 3.495 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000541384775 435643590 /nfs/dbraw/zinc/64/35/90/435643590.db2.gz ZINZILSMAHSABN-IBGZPJMESA-N 1 0 311.425 3.335 10 30 DGEERO C=C[C@@H]1CCCCN1CC(=O)N(CC(C)C)CC(F)(F)F ZINC000489448715 435649880 /nfs/dbraw/zinc/64/98/80/435649880.db2.gz NJCZXFKKGYLOJP-CYBMUJFWSA-N 1 0 306.372 3.074 10 30 DGEERO CC[N@H+](CCC1CCN(c2ccncc2C#N)CC1)CC1CC1 ZINC000548490562 435698205 /nfs/dbraw/zinc/69/82/05/435698205.db2.gz VWVAJFNBQGBHDI-UHFFFAOYSA-N 1 0 312.461 3.292 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2c[nH]nc2-c2ccccc2)cc1 ZINC000174559009 312763994 /nfs/dbraw/zinc/76/39/94/312763994.db2.gz DGFJJHOMZZACEP-UHFFFAOYSA-N 1 0 318.380 3.117 10 30 DGEERO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000543416411 314133176 /nfs/dbraw/zinc/13/31/76/314133176.db2.gz KEWILPNYBWKLAE-WMLDXEAASA-N 1 0 312.388 3.342 10 30 DGEERO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ccncc3C#N)cc2)C1 ZINC000547825776 314399650 /nfs/dbraw/zinc/39/96/50/314399650.db2.gz MFHMXDNSFNVTRA-MRXNPFEDSA-N 1 0 320.440 3.219 10 30 DGEERO COc1ccc([C@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1F ZINC000180270399 323225206 /nfs/dbraw/zinc/22/52/06/323225206.db2.gz FCVHOONVZJDYCP-LBPRGKRZSA-N 1 0 324.359 3.204 10 30 DGEERO COc1ccc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)cc1F ZINC000182031103 323280349 /nfs/dbraw/zinc/28/03/49/323280349.db2.gz VLPLRHDEMHQYMT-CYBMUJFWSA-N 1 0 314.360 3.436 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000185029988 335108087 /nfs/dbraw/zinc/10/80/87/335108087.db2.gz LDHYRAORZANUBA-PBHICJAKSA-N 1 0 304.434 3.016 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000185029968 335108257 /nfs/dbraw/zinc/10/82/57/335108257.db2.gz LDHYRAORZANUBA-YOEHRIQHSA-N 1 0 304.434 3.016 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000151403628 332576510 /nfs/dbraw/zinc/57/65/10/332576510.db2.gz JGKILIVLWCAVCK-WMZOPIPTSA-N 1 0 319.470 3.396 10 30 DGEERO C[NH+]=C(NCc1ccoc1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262455736 337618358 /nfs/dbraw/zinc/61/83/58/337618358.db2.gz WTXUCGRHTYFIIB-BXUZGUMPSA-N 1 0 321.783 3.293 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000500249913 340053980 /nfs/dbraw/zinc/05/39/80/340053980.db2.gz MNWGPYXLGHJJJH-GOSISDBHSA-N 1 0 315.388 3.084 10 30 DGEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510993943 340317468 /nfs/dbraw/zinc/31/74/68/340317468.db2.gz PARPSCMKZVQKAG-DLBZAZTESA-N 1 0 316.445 3.001 10 30 DGEERO CC1(C)CC[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)O1 ZINC000189720699 340539608 /nfs/dbraw/zinc/53/96/08/340539608.db2.gz YUNOVBDQIAYXOY-QGZVFWFLSA-N 1 0 302.418 3.416 10 30 DGEERO COC(=O)[C@@H](C)[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000192115118 340562266 /nfs/dbraw/zinc/56/22/66/340562266.db2.gz NCGGAVXTBXLTCX-QFBILLFUSA-N 1 0 307.393 3.178 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000132333022 341120958 /nfs/dbraw/zinc/12/09/58/341120958.db2.gz JXETYRVQAUKDRO-ZBFHGGJFSA-N 1 0 321.490 3.174 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000545960198 341148482 /nfs/dbraw/zinc/14/84/82/341148482.db2.gz GNXWOUNCGMFDLG-ZDUSSCGKSA-N 1 0 308.834 3.490 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000547424715 341212376 /nfs/dbraw/zinc/21/23/76/341212376.db2.gz YUZRVZUQNPUVLJ-UHFFFAOYSA-N 1 0 317.429 3.023 10 30 DGEERO C=C[C@H](CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC)c1ccccc1 ZINC000136939503 341269266 /nfs/dbraw/zinc/26/92/66/341269266.db2.gz BSUPKPVNDIEECR-NZSAHSFTSA-N 1 0 312.457 3.432 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)C(C)C ZINC000550713552 341321984 /nfs/dbraw/zinc/32/19/84/341321984.db2.gz DFSJSPMKEAOOSV-SFNKJDCFSA-N 1 0 304.478 3.237 10 30 DGEERO C=CCC[C@H](O)C[N@@H+](CCC)Cc1cccc(OC)c1OC ZINC000036097252 518724456 /nfs/dbraw/zinc/72/44/56/518724456.db2.gz GCDOSSCLMHZMOJ-INIZCTEOSA-N 1 0 307.434 3.243 10 30 DGEERO C=C(CC)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494277497 534419852 /nfs/dbraw/zinc/41/98/52/534419852.db2.gz RNYJVHMLFMNMEC-GDBMZVCRSA-N 1 0 310.800 3.307 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000451684277 534574293 /nfs/dbraw/zinc/57/42/93/534574293.db2.gz UZOPNBXXUSPYHV-KGLIPLIRSA-N 1 0 314.198 3.411 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000449284397 534695955 /nfs/dbraw/zinc/69/59/55/534695955.db2.gz OSASJWFCCXMOQC-NVXWUHKLSA-N 1 0 304.482 3.422 10 30 DGEERO CC#CCC[N@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000360485319 526308574 /nfs/dbraw/zinc/30/85/74/526308574.db2.gz BRILJHVQVVSASZ-PXNSSMCTSA-N 1 0 313.489 3.336 10 30 DGEERO C[NH+]=C(NCC1(C2CC2)CCC1)N(C)Cc1csc(C)n1 ZINC000261867600 526350454 /nfs/dbraw/zinc/35/04/54/526350454.db2.gz ZEGHDPFPSRBIIN-UHFFFAOYSA-N 1 0 306.479 3.039 10 30 DGEERO C[NH+]=C(NCc1cnc(C)s1)N(C)Cc1ccc(Cl)cc1 ZINC000262607011 526388061 /nfs/dbraw/zinc/38/80/61/526388061.db2.gz ZZRMTSJUGHIHBR-UHFFFAOYSA-N 1 0 322.865 3.312 10 30 DGEERO C[NH+]=C(N[C@H](C)c1cccc(N2CCCC2)c1)N[C@H]1CC1(C)C ZINC000261984931 526396042 /nfs/dbraw/zinc/39/60/42/526396042.db2.gz PUWACOZCRJOEDA-PBHICJAKSA-N 1 0 314.477 3.311 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443329728 526536228 /nfs/dbraw/zinc/53/62/28/526536228.db2.gz BUAGNGGVKBDILY-MRXNPFEDSA-N 1 0 322.493 3.223 10 30 DGEERO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCO[C@@H](CC)C1 ZINC000348639805 526560362 /nfs/dbraw/zinc/56/03/62/526560362.db2.gz ZMCGMXJNRCGPHU-HOTGVXAUSA-N 1 0 307.434 3.355 10 30 DGEERO C=C(C)CN1CCC([NH2+]C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000182187772 526602539 /nfs/dbraw/zinc/60/25/39/526602539.db2.gz WIKFECBLPSEMMN-INIZCTEOSA-N 1 0 302.462 3.429 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000375470971 526604779 /nfs/dbraw/zinc/60/47/79/526604779.db2.gz RLMKUAIXBSFTAX-NZSAHSFTSA-N 1 0 306.494 3.212 10 30 DGEERO C=CCNC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000338229973 526613003 /nfs/dbraw/zinc/61/30/03/526613003.db2.gz IUCZJMRBAFZIKQ-UHFFFAOYSA-N 1 0 315.461 3.164 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313622 526628326 /nfs/dbraw/zinc/62/83/26/526628326.db2.gz OTAHLNADZMGFGD-HUUCEWRRSA-N 1 0 309.413 3.090 10 30 DGEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313586 526635216 /nfs/dbraw/zinc/63/52/16/526635216.db2.gz OTAHLNADZMGFGD-CABCVRRESA-N 1 0 309.413 3.090 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@](C)(CO)C(C)C)ccc1OC ZINC000353212405 526662479 /nfs/dbraw/zinc/66/24/79/526662479.db2.gz QRYZGEAQRQHCLA-SFHVURJKSA-N 1 0 307.434 3.147 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000348047845 526760978 /nfs/dbraw/zinc/76/09/78/526760978.db2.gz GAWPVFHYIIRRGJ-MJGOQNOKSA-N 1 0 302.462 3.079 10 30 DGEERO C=CCOCC[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000338893499 526772123 /nfs/dbraw/zinc/77/21/23/526772123.db2.gz FEWBYCRUYFQNCE-HNNXBMFYSA-N 1 0 308.853 3.221 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000435752649 526782949 /nfs/dbraw/zinc/78/29/49/526782949.db2.gz YZASNDWFICXSQZ-ZBFHGGJFSA-N 1 0 315.442 3.276 10 30 DGEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000353286928 526849492 /nfs/dbraw/zinc/84/94/92/526849492.db2.gz PLJBSWKZASFPPX-QFBILLFUSA-N 1 0 311.429 3.158 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)NC)cc1 ZINC000348839811 526865516 /nfs/dbraw/zinc/86/55/16/526865516.db2.gz YFAIJFDKNNXHLC-QGZVFWFLSA-N 1 0 316.445 3.132 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1OC ZINC000355135138 526867192 /nfs/dbraw/zinc/86/71/92/526867192.db2.gz NTOUANOYMZWDHU-SJORKVTESA-N 1 0 317.429 3.261 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000353669486 526871451 /nfs/dbraw/zinc/87/14/51/526871451.db2.gz COGYFFHAICOPGC-HXUWFJFHSA-N 1 0 309.409 3.343 10 30 DGEERO C=CCOc1cccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000353236959 526903757 /nfs/dbraw/zinc/90/37/57/526903757.db2.gz DTIXTDKVCFWPPC-UHFFFAOYSA-N 1 0 308.381 3.421 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000352372031 526932476 /nfs/dbraw/zinc/93/24/76/526932476.db2.gz OBEYTVNPZJGFKI-INIZCTEOSA-N 1 0 311.429 3.365 10 30 DGEERO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000193123834 527013666 /nfs/dbraw/zinc/01/36/66/527013666.db2.gz HRPRTAWQMXVAAR-DZGCQCFKSA-N 1 0 320.458 3.060 10 30 DGEERO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358972675 527083047 /nfs/dbraw/zinc/08/30/47/527083047.db2.gz WUTGTBIDBZIRQT-CRAIPNDOSA-N 1 0 311.429 3.024 10 30 DGEERO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358972677 527083346 /nfs/dbraw/zinc/08/33/46/527083346.db2.gz WUTGTBIDBZIRQT-QAPCUYQASA-N 1 0 311.429 3.024 10 30 DGEERO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000178356314 527116035 /nfs/dbraw/zinc/11/60/35/527116035.db2.gz RZDZCOYOLVGZQV-KPOBHBOGSA-N 1 0 307.393 3.008 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349147654 527141268 /nfs/dbraw/zinc/14/12/68/527141268.db2.gz IIVJSOZZYMAPSF-STQMWFEESA-N 1 0 302.418 3.436 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000343532581 527141497 /nfs/dbraw/zinc/14/14/97/527141497.db2.gz IFJPIRFUDGQAJA-LISAXSMJSA-N 1 0 300.446 3.366 10 30 DGEERO C=CCCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342476307 527187316 /nfs/dbraw/zinc/18/73/16/527187316.db2.gz PWGXTEMSFVDWFY-SFHVURJKSA-N 1 0 300.446 3.466 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000076801824 527192619 /nfs/dbraw/zinc/19/26/19/527192619.db2.gz CAJIDHRUYOPSJX-UHFFFAOYSA-N 1 0 312.816 3.336 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000359505974 527274477 /nfs/dbraw/zinc/27/44/77/527274477.db2.gz HHLRQGSQDPIYLC-AWEZNQCLSA-N 1 0 322.399 3.467 10 30 DGEERO C#Cc1ccc(C[NH2+]C2CCN(c3ccccc3OC)CC2)cc1 ZINC000289162737 527439062 /nfs/dbraw/zinc/43/90/62/527439062.db2.gz DSRFTEQINOYCRG-UHFFFAOYSA-N 1 0 320.436 3.435 10 30 DGEERO C=CCC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000131047650 527477354 /nfs/dbraw/zinc/47/73/54/527477354.db2.gz GKWZVSJMSZEZTK-SJORKVTESA-N 1 0 301.434 3.039 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000424301303 527499539 /nfs/dbraw/zinc/49/95/39/527499539.db2.gz ZRXSUOVQENHFDP-BBWFWOEESA-N 1 0 303.402 3.105 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000357664180 528362871 /nfs/dbraw/zinc/36/28/71/528362871.db2.gz YTHGEUPHWOMMSN-UHFFFAOYSA-N 1 0 313.445 3.198 10 30 DGEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000181494501 528625874 /nfs/dbraw/zinc/62/58/74/528625874.db2.gz CXXCZRGDALDAID-JKSUJKDBSA-N 1 0 323.440 3.499 10 30 DGEERO CC[NH+]1CCC(CCNC(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000456004340 535449180 /nfs/dbraw/zinc/44/91/80/535449180.db2.gz OMPKRVVDXSIMMP-UHFFFAOYSA-N 1 0 314.433 3.110 10 30 DGEERO COc1cccc2c1CC[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC000489532274 536942052 /nfs/dbraw/zinc/94/20/52/536942052.db2.gz IDTZDRBERUHSPX-UHFFFAOYSA-N 1 0 310.372 3.307 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000273476950 546358691 /nfs/dbraw/zinc/35/86/91/546358691.db2.gz KMWWEFZTNYGNAE-LBPRGKRZSA-N 1 0 321.218 3.024 10 30 DGEERO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCCO1 ZINC000329695500 546491005 /nfs/dbraw/zinc/49/10/05/546491005.db2.gz XNFWWWRUXRDCAJ-IAOVAPTHSA-N 1 0 302.418 3.178 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000349761534 546603716 /nfs/dbraw/zinc/60/37/16/546603716.db2.gz YHHKWGJASBEWPF-DZGCQCFKSA-N 1 0 310.235 3.353 10 30 DGEERO C=C(C)CNC(=S)NCc1ccccc1C[NH+]1CCCCC1 ZINC000730595435 574532724 /nfs/dbraw/zinc/53/27/24/574532724.db2.gz JVBBTVPYFIBZNF-UHFFFAOYSA-N 1 0 317.502 3.213 10 30 DGEERO C=C(C)CNC(=S)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000741500518 574960259 /nfs/dbraw/zinc/96/02/59/574960259.db2.gz ZCGFKRLGXUNTSS-UKRRQHHQSA-N 1 0 323.531 3.171 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000104172560 617962669 /nfs/dbraw/zinc/96/26/69/617962669.db2.gz LCYRXVUBDCKTBV-INIZCTEOSA-N 1 0 308.429 3.248 10 30 DGEERO C#CCOc1ccccc1C[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000128235619 624802048 /nfs/dbraw/zinc/80/20/48/624802048.db2.gz RZWAZZBWBPHEFC-SJLPKXTDSA-N 1 0 301.430 3.120 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000130760161 625897182 /nfs/dbraw/zinc/89/71/82/625897182.db2.gz KDZYALKVVLSEFK-SJLPKXTDSA-N 1 0 315.461 3.187 10 30 DGEERO Cc1ccc(NC(=[NH2+])NCCCc2nc(C(C)C)no2)cc1C ZINC000104178999 627412348 /nfs/dbraw/zinc/41/23/48/627412348.db2.gz OODJDGSOJRPHKW-UHFFFAOYSA-N 1 0 315.421 3.169 10 30 DGEERO CC[NH+]=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H]1C[C@H]1C ZINC000081721113 660195636 /nfs/dbraw/zinc/19/56/36/660195636.db2.gz UVJGFIVWMCTPBW-IKWCTNDRSA-N 1 0 305.388 3.319 10 30 DGEERO C#CC[NH+](CC#C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000072907037 660227252 /nfs/dbraw/zinc/22/72/52/660227252.db2.gz WIMISLYOACKKSQ-UHFFFAOYSA-N 1 0 316.404 3.251 10 30 DGEERO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290991789 655734485 /nfs/dbraw/zinc/73/44/85/655734485.db2.gz ZWKKGAUSNFKMRN-WMZOPIPTSA-N 1 0 300.446 3.322 10 30 DGEERO C[NH+]=C(N[C@H](C)c1ccccc1C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262332858 655814383 /nfs/dbraw/zinc/81/43/83/655814383.db2.gz BIBINGNGDLSFSI-XLNGHYISSA-N 1 0 315.461 3.035 10 30 DGEERO [NH2+]=C(NC[C@@H](c1ccco1)N1CCCCC1)NC1CCCCC1 ZINC000262346022 655819295 /nfs/dbraw/zinc/81/92/95/655819295.db2.gz TXOUNTMBFLFHEI-INIZCTEOSA-N 1 0 318.465 3.044 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000715919306 661215890 /nfs/dbraw/zinc/21/58/90/661215890.db2.gz IOBUTGRUEOTFDQ-OAHLLOKOSA-N 1 0 305.418 3.130 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000716934277 661234122 /nfs/dbraw/zinc/23/41/22/661234122.db2.gz JMBMKTIYMISIIU-MRVPVSSYSA-N 1 0 322.655 3.292 10 30 DGEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)NC1CCC1 ZINC000261663320 656952146 /nfs/dbraw/zinc/95/21/46/656952146.db2.gz GCTNHTNTPPVIPH-VXGBXAGGSA-N 1 0 305.388 3.463 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H]2COC3(CCC(C)CC3)O2)c1 ZINC000262204945 657432903 /nfs/dbraw/zinc/43/29/03/657432903.db2.gz SPCDUUMXWBYAQL-MNQCNDSGSA-N 1 0 317.433 3.043 10 30 DGEERO CCN(CC)[C@H](CNC(=[NH2+])Nc1cccc(C)c1)c1ccco1 ZINC000303872237 657568901 /nfs/dbraw/zinc/56/89/01/657568901.db2.gz GCLYFYQFDCNSKG-MRXNPFEDSA-N 1 0 314.433 3.398 10 30 DGEERO CCN(CC)[C@H](CNC(=[NH2+])NC1CCCCC1)c1ccsc1 ZINC000303892993 657573226 /nfs/dbraw/zinc/57/32/26/657573226.db2.gz NXQKLUNHDSTPBR-MRXNPFEDSA-N 1 0 322.522 3.368 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCOc2ccc(F)cc2F)c1 ZINC000304711517 657644329 /nfs/dbraw/zinc/64/43/29/657644329.db2.gz MBCHUEOEFVYZJM-UHFFFAOYSA-N 1 0 305.328 3.079 10 30 DGEERO [NH2+]=C(NCCc1ccccc1)NCc1ccccc1OC1CCC1 ZINC000304751921 657647254 /nfs/dbraw/zinc/64/72/54/657647254.db2.gz JSIYBIHIVSHWIR-UHFFFAOYSA-N 1 0 323.440 3.265 10 30 DGEERO C[C@@H]1CCCN(C(=[NH2+])NCCCCOCc2ccccc2)C1 ZINC000303986110 657701850 /nfs/dbraw/zinc/70/18/50/657701850.db2.gz UDEYBSRHSMUJFG-MRXNPFEDSA-N 1 0 303.450 3.030 10 30 DGEERO C[C@@H]1Cc2cc(-c3ccc(CNC(=[NH2+])NC4CC4)cc3)ccc2O1 ZINC000305432730 657725893 /nfs/dbraw/zinc/72/58/93/657725893.db2.gz FUMDXUKQWLDGFW-CYBMUJFWSA-N 1 0 321.424 3.244 10 30 DGEERO CC1(CNC(=[NH2+])NCCc2cccs2)Cc2ccccc2C1 ZINC000305745372 657733549 /nfs/dbraw/zinc/73/35/49/657733549.db2.gz OAEVONUUBZEMCH-UHFFFAOYSA-N 1 0 313.470 3.000 10 30 DGEERO CC(C)Oc1ccc(NC(=[NH2+])N[C@H]2COc3ccccc32)cc1 ZINC000262669496 657910130 /nfs/dbraw/zinc/91/01/30/657910130.db2.gz OSDVZLMZYGIQPP-INIZCTEOSA-N 1 0 311.385 3.334 10 30 DGEERO CC[NH+]=C(NCC(F)F)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261996006 658405639 /nfs/dbraw/zinc/40/56/39/658405639.db2.gz SLFHXZWIHBUJEU-LBPRGKRZSA-N 1 0 311.376 3.109 10 30 DGEERO C#CCCOc1ccc(C[NH2+]CCCc2c(C)noc2C)cc1 ZINC000084959267 658549595 /nfs/dbraw/zinc/54/95/95/658549595.db2.gz XCQKRIKQRBAFIB-UHFFFAOYSA-N 1 0 312.413 3.416 10 30 DGEERO C[NH+]=C(NCc1nc(C)c(C)s1)NC1CCC(C)(C)CC1 ZINC000089068461 658645452 /nfs/dbraw/zinc/64/54/52/658645452.db2.gz IBVMTFZFZFBXLQ-UHFFFAOYSA-N 1 0 308.495 3.394 10 30 DGEERO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C(C)C ZINC000353462247 659984563 /nfs/dbraw/zinc/98/45/63/659984563.db2.gz OILWSCLWUBUTHJ-FUHWJXTLSA-N 1 0 302.466 3.075 10 30 DGEERO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184265141 660161260 /nfs/dbraw/zinc/16/12/60/660161260.db2.gz PBWJAFWZNWNPOU-AWEZNQCLSA-N 1 0 320.824 3.150 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)C(C)(C)C ZINC000718727635 662260669 /nfs/dbraw/zinc/26/06/69/662260669.db2.gz JDOZVIFEIFVFFX-CABCVRRESA-N 1 0 301.496 3.314 10 30 DGEERO C#CCOc1ccc(C[NH+]2CCC(c3cnn(CC)c3)CC2)cc1 ZINC000092809285 662336232 /nfs/dbraw/zinc/33/62/32/662336232.db2.gz CRIDDLQYPRPZDD-UHFFFAOYSA-N 1 0 323.440 3.295 10 30 DGEERO C#CC[C@H](COC)[NH2+][C@@H]1CCc2c1cccc2Br ZINC000716948711 685275939 /nfs/dbraw/zinc/27/59/39/685275939.db2.gz RCPNJOFBCIJBQX-IAQYHMDHSA-N 1 0 308.219 3.064 10 30 DGEERO C#C[C@](C)(CC)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000384195409 685170848 /nfs/dbraw/zinc/17/08/48/685170848.db2.gz XUUFSKQJVAHWQU-XHDPSFHLSA-N 1 0 316.228 3.125 10 30 DGEERO C#C[C@](C)(CC)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000384195407 685170928 /nfs/dbraw/zinc/17/09/28/685170928.db2.gz XUUFSKQJVAHWQU-IAQYHMDHSA-N 1 0 316.228 3.125 10 30 DGEERO C=CCOc1ccc(CNCCC[NH+]2CCCCC2)cc1OC ZINC000078482812 1196733281 /nfs/dbraw/zinc/73/32/81/1196733281.db2.gz VTTAVQKXJSOAIW-UHFFFAOYSA-N 1 0 318.461 3.226 10 30 DGEERO CC[NH+]1CCC(N(C)c2cc(Br)ccc2C#N)CC1 ZINC000123198574 1199378773 /nfs/dbraw/zinc/37/87/73/1199378773.db2.gz LGERUZIIWBSRON-UHFFFAOYSA-N 1 0 322.250 3.241 10 30 DGEERO C=CCSCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401712644 1199415723 /nfs/dbraw/zinc/41/57/23/1199415723.db2.gz FMHDQFSNRRDPDH-KGLIPLIRSA-N 1 0 314.495 3.141 10 30 DGEERO C=C(CC)C[NH2+]Cc1ccc(I)cc1 ZINC000313499163 1199765500 /nfs/dbraw/zinc/76/55/00/1199765500.db2.gz OVAGFWAIBJYRIZ-UHFFFAOYSA-N 1 0 301.171 3.347 10 30 DGEERO N#Cc1csc(C[NH2+]CCc2cccc(Br)c2)n1 ZINC000313719968 1199772730 /nfs/dbraw/zinc/77/27/30/1199772730.db2.gz UQALWAPNICGVGB-UHFFFAOYSA-N 1 0 322.231 3.110 10 30 DGEERO C#CCOc1ccccc1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000315925016 1199811201 /nfs/dbraw/zinc/81/12/01/1199811201.db2.gz QGMRQKFCVZQTNC-UHFFFAOYSA-N 1 0 301.430 3.120 10 30 DGEERO CC[N@@H+]1CCC[C@H](Nc2cc(Br)ccc2C#N)C1 ZINC000123162984 1200276148 /nfs/dbraw/zinc/27/61/48/1200276148.db2.gz SQZFDPRJZBGRNL-ZDUSSCGKSA-N 1 0 308.223 3.217 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1OC ZINC000157133602 1202602056 /nfs/dbraw/zinc/60/20/56/1202602056.db2.gz KFNVQVXABURKAD-SJLPKXTDSA-N 1 0 317.429 3.307 10 30 DGEERO C#CCOc1ccc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000236694316 1202621322 /nfs/dbraw/zinc/62/13/22/1202621322.db2.gz BDFGTZKJDOYCBX-IBGZPJMESA-N 1 0 312.457 3.053 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc(SC)c(OC)c2)CC1 ZINC000237115749 1202647843 /nfs/dbraw/zinc/64/78/43/1202647843.db2.gz GHDZNGDQQNMYEB-UHFFFAOYSA-N 1 0 306.475 3.157 10 30 DGEERO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000029415320 717119285 /nfs/dbraw/zinc/11/92/85/717119285.db2.gz DFCXKIFRBUYLET-LSDHHAIUSA-O 1 0 319.469 3.280 10 30 DGEERO C=CCC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)C1CC1 ZINC000278531972 214216883 /nfs/dbraw/zinc/21/68/83/214216883.db2.gz UFUMBZXXFDLECP-IRXDYDNUSA-N 1 0 302.466 3.032 10 30 DGEERO Cc1cc(C#N)cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309779776 231105774 /nfs/dbraw/zinc/10/57/74/231105774.db2.gz DPRIJQYIBDZYNB-QGZVFWFLSA-N 1 0 306.413 3.196 10 30 DGEERO CCc1nc(CNC(NC2C[C@H](C)C[C@@H](C)C2)=[NH+]C)cs1 ZINC000262761859 529735574 /nfs/dbraw/zinc/73/55/74/529735574.db2.gz DRMHTCWSLLMPFX-VXGBXAGGSA-N 1 0 308.495 3.195 10 30 DGEERO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1 ZINC000182685378 529870303 /nfs/dbraw/zinc/87/03/03/529870303.db2.gz GPKGSCXRCNSIOG-UHFFFAOYSA-N 1 0 314.820 3.375 10 30 DGEERO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000180946817 334958098 /nfs/dbraw/zinc/95/80/98/334958098.db2.gz BBANYDBVTXCABP-CABCVRRESA-N 1 0 324.490 3.332 10 30 DGEERO CC[NH+](CC)Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1 ZINC000194297865 186278685 /nfs/dbraw/zinc/27/86/85/186278685.db2.gz OYYXNGLKEFMBKR-UHFFFAOYSA-N 1 0 308.385 3.047 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000172346367 198083651 /nfs/dbraw/zinc/08/36/51/198083651.db2.gz CUASMQYIQNRAOZ-OAHLLOKOSA-N 1 0 305.422 3.024 10 30 DGEERO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000367035925 282874740 /nfs/dbraw/zinc/87/47/40/282874740.db2.gz LKKLMRHRLNNGNW-BACDZXNISA-N 1 0 300.450 3.366 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174255250 198310679 /nfs/dbraw/zinc/31/06/79/198310679.db2.gz IKAMCNVNWPDQFL-GFCCVEGCSA-N 1 0 309.369 3.351 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(-n2ccnn2)cc1 ZINC000179098451 432040598 /nfs/dbraw/zinc/04/05/98/432040598.db2.gz YIDJEDMVZNNCKX-CYBMUJFWSA-N 1 0 321.359 3.129 10 30 DGEERO N#Cc1ccc(C(F)(F)F)c(N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000185296005 283135527 /nfs/dbraw/zinc/13/55/27/283135527.db2.gz CQMHSEGFUPESBL-UHFFFAOYSA-N 1 0 309.335 3.252 10 30 DGEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)cc1Br ZINC000168566012 432068437 /nfs/dbraw/zinc/06/84/37/432068437.db2.gz YAUCKQGSHNVJAF-CYBMUJFWSA-N 1 0 322.250 3.241 10 30 DGEERO Cc1c(C#N)cccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000187617837 200135947 /nfs/dbraw/zinc/13/59/47/200135947.db2.gz YAHAKYGWAYKBDC-CQSZACIVSA-N 1 0 314.433 3.253 10 30 DGEERO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449356013 240153970 /nfs/dbraw/zinc/15/39/70/240153970.db2.gz FHMVSQBRQZUZTR-CABCVRRESA-N 1 0 307.459 3.282 10 30 DGEERO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449356015 240154446 /nfs/dbraw/zinc/15/44/46/240154446.db2.gz FHMVSQBRQZUZTR-HUUCEWRRSA-N 1 0 307.459 3.282 10 30 DGEERO C=C(C)COc1cc(C[N@H+]2CC[C@H](CO)[C@@H]2CC)ccc1OC ZINC000449424483 240195612 /nfs/dbraw/zinc/19/56/12/240195612.db2.gz PDPWAYSPEHBYAY-SJORKVTESA-N 1 0 319.445 3.243 10 30 DGEERO Cn1cc([C@@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)cn1 ZINC000135236183 432107241 /nfs/dbraw/zinc/10/72/41/432107241.db2.gz FQCPTTLGLQWSIB-OAHLLOKOSA-N 1 0 308.429 3.211 10 30 DGEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000091966757 193134019 /nfs/dbraw/zinc/13/40/19/193134019.db2.gz NEMBAIQLHKSEPM-CRAIPNDOSA-N 1 0 314.360 3.378 10 30 DGEERO C=CCC1(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CCCC1 ZINC000453341563 241731944 /nfs/dbraw/zinc/73/19/44/241731944.db2.gz BYUBBDFEMRRBBP-CQSZACIVSA-N 1 0 322.474 3.121 10 30 DGEERO C=CCC1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCCC1 ZINC000454889283 242057127 /nfs/dbraw/zinc/05/71/27/242057127.db2.gz UOUMYMDVOQFTPO-UHFFFAOYSA-N 1 0 319.493 3.439 10 30 DGEERO C=C(CC)CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459078271 243244780 /nfs/dbraw/zinc/24/47/80/243244780.db2.gz NXYJXZRGKMTGGE-QGZVFWFLSA-N 1 0 307.482 3.250 10 30 DGEERO CC[NH+](CC)CC1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000462782267 243686976 /nfs/dbraw/zinc/68/69/76/243686976.db2.gz BHLCBQJSHIHKND-UHFFFAOYSA-N 1 0 307.388 3.395 10 30 DGEERO N#Cc1ccc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000093016630 193195088 /nfs/dbraw/zinc/19/50/88/193195088.db2.gz FLXCUXQDVFAXLM-INIZCTEOSA-N 1 0 301.434 3.239 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472320547 244297901 /nfs/dbraw/zinc/29/79/01/244297901.db2.gz ORUFMNBOOIKCMV-HNAYVOBHSA-N 1 0 316.420 3.409 10 30 DGEERO C=CCC[C@H](O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000472735811 244313265 /nfs/dbraw/zinc/31/32/65/244313265.db2.gz RHIWLXFGWMHEIV-IBGZPJMESA-N 1 0 314.473 3.088 10 30 DGEERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000121494422 284198385 /nfs/dbraw/zinc/19/83/85/284198385.db2.gz FCXPKEKKPJMTHY-KXBFYZLASA-N 1 0 324.424 3.211 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1ccc(F)cc1C ZINC000488038603 245138742 /nfs/dbraw/zinc/13/87/42/245138742.db2.gz BUTMEVLGEVVTNS-OAHLLOKOSA-N 1 0 306.425 3.379 10 30 DGEERO C=CCc1cc(C[NH2+]CCCOCC)cc(OC)c1OCC ZINC000013731192 181885280 /nfs/dbraw/zinc/88/52/80/181885280.db2.gz NLXAHQCIQAHLFM-UHFFFAOYSA-N 1 0 307.434 3.339 10 30 DGEERO CC#CCCCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000493036892 245867652 /nfs/dbraw/zinc/86/76/52/245867652.db2.gz WZPPORFKPMERSR-FQEVSTJZSA-N 1 0 312.457 3.351 10 30 DGEERO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(C#N)s1 ZINC000181505444 432131634 /nfs/dbraw/zinc/13/16/34/432131634.db2.gz YUPNGKGZYYACDC-CYBMUJFWSA-N 1 0 312.442 3.334 10 30 DGEERO CC(C)[N@H+](CC/C(N)=N/O)Cc1ccc(Cl)c(Cl)c1 ZINC000042529135 183281052 /nfs/dbraw/zinc/28/10/52/183281052.db2.gz OWBRHHWMKPKYED-UHFFFAOYSA-N 1 0 304.221 3.340 10 30 DGEERO C[NH+](C)CC#Cc1ccc2cc(-c3[nH]nc4cccnc43)[nH]c2c1 ZINC000066075374 184386970 /nfs/dbraw/zinc/38/69/70/184386970.db2.gz CATNPGATOOPPKF-UHFFFAOYSA-N 1 0 315.380 3.019 10 30 DGEERO CCOCC[N@@H+]1CCN([C@H](C)c2cccc(C#N)c2)C[C@H]1CC ZINC000249264332 285065221 /nfs/dbraw/zinc/06/52/21/285065221.db2.gz IMOYDXHVQMQJGL-VQIMIIECSA-N 1 0 315.461 3.052 10 30 DGEERO N#Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)s1 ZINC000120923761 195265608 /nfs/dbraw/zinc/26/56/08/195265608.db2.gz QOPLCYMQYBLYLT-UHFFFAOYSA-N 1 0 323.425 3.042 10 30 DGEERO CC(C)[N@@H+]1CCc2nc(/C=C/c3ccc(C#N)cn3)sc2C1 ZINC000378640153 257235421 /nfs/dbraw/zinc/23/54/21/257235421.db2.gz HPCDCRBSRVOTSO-AATRIKPKSA-N 1 0 310.426 3.347 10 30 DGEERO C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000172603362 533342460 /nfs/dbraw/zinc/34/24/60/533342460.db2.gz HCVYNCKUUVLITQ-CYBMUJFWSA-N 1 0 305.447 3.084 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000067504546 400175355 /nfs/dbraw/zinc/17/53/55/400175355.db2.gz HTNPIVDCYKIXMN-QGZVFWFLSA-N 1 0 310.397 3.107 10 30 DGEERO C=CC[C@@H](CC)[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600735644 400141114 /nfs/dbraw/zinc/14/11/14/400141114.db2.gz MVQJIVBPYHEWTE-SWKXRBFHSA-N 1 0 311.466 3.194 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043324 400149673 /nfs/dbraw/zinc/14/96/73/400149673.db2.gz CTQSFRMXZGGGGY-AEFFLSMTSA-N 1 0 300.446 3.168 10 30 DGEERO C[C@H](C(=O)Nc1ccc(CC#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000025417873 400237015 /nfs/dbraw/zinc/23/70/15/400237015.db2.gz ANCMRLFOCAXYLH-OAHLLOKOSA-N 1 0 307.397 3.212 10 30 DGEERO C=CCOc1ccc(CN2CC[C@H](C[N@@H+](C)CCC)C2)cc1 ZINC000093741910 400253110 /nfs/dbraw/zinc/25/31/10/400253110.db2.gz HBJSVMKJRAXJQV-GOSISDBHSA-N 1 0 302.462 3.415 10 30 DGEERO C=CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617009014 400271558 /nfs/dbraw/zinc/27/15/58/400271558.db2.gz QGJZKXIHXGDLKK-IAGOWNOFSA-N 1 0 300.446 3.335 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1 ZINC000580985766 400349191 /nfs/dbraw/zinc/34/91/91/400349191.db2.gz VNWNCXBRBZDEGT-UHFFFAOYSA-N 1 0 307.397 3.428 10 30 DGEERO C=CCCC[C@H](C)[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602580838 400504008 /nfs/dbraw/zinc/50/40/08/400504008.db2.gz IGHDTCUNYIQNPQ-ZDUSSCGKSA-N 1 0 307.438 3.210 10 30 DGEERO C=CCCC(C)(C)[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602717585 400549201 /nfs/dbraw/zinc/54/92/01/400549201.db2.gz OUWNZRCEEMQYQB-UHFFFAOYSA-N 1 0 307.438 3.210 10 30 DGEERO Cc1cc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)ccc1C#N ZINC000618751542 400683129 /nfs/dbraw/zinc/68/31/29/400683129.db2.gz GMGAJYDZCHGKSG-KRWDZBQOSA-N 1 0 321.428 3.173 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593620215 400882293 /nfs/dbraw/zinc/88/22/93/400882293.db2.gz FVUPBTPWGQNWTI-VXGBXAGGSA-N 1 0 300.362 3.306 10 30 DGEERO C=CC[C@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593620213 400882423 /nfs/dbraw/zinc/88/24/23/400882423.db2.gz FVUPBTPWGQNWTI-RYUDHWBXSA-N 1 0 300.362 3.306 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000633411774 400939728 /nfs/dbraw/zinc/93/97/28/400939728.db2.gz XNAMFFSROJDBHC-INIZCTEOSA-N 1 0 309.498 3.352 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000629586555 400985265 /nfs/dbraw/zinc/98/52/65/400985265.db2.gz AYQVPHZMOKHVQZ-INIZCTEOSA-N 1 0 315.461 3.206 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000629586550 400985526 /nfs/dbraw/zinc/98/55/26/400985526.db2.gz AVPQTQGMURRGSM-INIZCTEOSA-N 1 0 311.853 3.409 10 30 DGEERO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424898 401062819 /nfs/dbraw/zinc/06/28/19/401062819.db2.gz DLKMBYOPOCCVTC-YJBOKZPZSA-N 1 0 313.445 3.225 10 30 DGEERO C=C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000625284646 401086110 /nfs/dbraw/zinc/08/61/10/401086110.db2.gz BWIWOKLZCLSVIL-VQTJNVASSA-N 1 0 324.468 3.323 10 30 DGEERO C=CCCSCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000594959778 401208845 /nfs/dbraw/zinc/20/88/45/401208845.db2.gz DHQNZQCYXNIYKG-UHFFFAOYSA-N 1 0 301.459 3.486 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)c2cc(C)n([C@@H](C)COC)c2C)C1 ZINC000625702887 401185281 /nfs/dbraw/zinc/18/52/81/401185281.db2.gz JNPWPNVEOKRJFY-RDJZCZTQSA-N 1 0 318.461 3.393 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2CC)C1 ZINC000625702840 401185302 /nfs/dbraw/zinc/18/53/02/401185302.db2.gz JFJBWWNFESBKGU-GOEBONIOSA-N 1 0 318.486 3.482 10 30 DGEERO C=CC[C@@H]1CCN(CC(=O)Nc2ccccc2Br)C1 ZINC000625702305 401185588 /nfs/dbraw/zinc/18/55/88/401185588.db2.gz WZLNTGRXDYFRPL-GFCCVEGCSA-N 1 0 323.234 3.286 10 30 DGEERO C=CC[C@H]1CC[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000625700435 401186057 /nfs/dbraw/zinc/18/60/57/401186057.db2.gz BUMYJQWPGXSJLU-ICSRJNTNSA-N 1 0 314.473 3.176 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000625701752 401186654 /nfs/dbraw/zinc/18/66/54/401186654.db2.gz CPBPGOVIFVKMAX-ZBFHGGJFSA-N 1 0 309.837 3.116 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000625703787 401187164 /nfs/dbraw/zinc/18/71/64/401187164.db2.gz PDNUGEXUBKSZDB-IMFGXOCKSA-N 1 0 315.457 3.340 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000625703796 401187226 /nfs/dbraw/zinc/18/72/26/401187226.db2.gz PDNUGEXUBKSZDB-YVWKXTFCSA-N 1 0 315.457 3.340 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000625703804 401187449 /nfs/dbraw/zinc/18/74/49/401187449.db2.gz SSKUUQYWBGCCSB-LBPRGKRZSA-N 1 0 302.447 3.288 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000625705830 401188312 /nfs/dbraw/zinc/18/83/12/401188312.db2.gz ZOILAEZGDKQVDE-GFCCVEGCSA-N 1 0 310.344 3.125 10 30 DGEERO C=C[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCC ZINC000626067074 401293546 /nfs/dbraw/zinc/29/35/46/401293546.db2.gz YZZAJZSOIZHAJD-CGTJXYLNSA-N 1 0 300.446 3.225 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H](C)C(C)(C)C)CC1 ZINC000634848247 401359081 /nfs/dbraw/zinc/35/90/81/401359081.db2.gz ZKYOGNIQTBKQBX-HNNXBMFYSA-N 1 0 309.498 3.351 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOc2c(OC)cccc21 ZINC000631639106 401521653 /nfs/dbraw/zinc/52/16/53/401521653.db2.gz VYNMHVYGGXORFP-BPUTZDHNSA-N 1 0 303.402 3.090 10 30 DGEERO C=CC(C)(C)CCNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000623466931 401524842 /nfs/dbraw/zinc/52/48/42/401524842.db2.gz QWVNHQQYZNDFEP-MRXNPFEDSA-N 1 0 309.498 3.400 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2cn[nH]c2)cc1OC ZINC000623474865 401526578 /nfs/dbraw/zinc/52/65/78/401526578.db2.gz SZXUWYXIRZZBDE-LLVKDONJSA-N 1 0 321.808 3.487 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000623518860 401537934 /nfs/dbraw/zinc/53/79/34/401537934.db2.gz NGSZVTYPRBDDBP-INIZCTEOSA-N 1 0 319.493 3.249 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000623814458 401582647 /nfs/dbraw/zinc/58/26/47/401582647.db2.gz GDICWDSLFGUJQU-NXHRZFHOSA-N 1 0 313.445 3.039 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000623566093 401547716 /nfs/dbraw/zinc/54/77/16/401547716.db2.gz GHZGWKGZNZOUAB-WMZOPIPTSA-N 1 0 315.461 3.205 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000623599630 401553337 /nfs/dbraw/zinc/55/33/37/401553337.db2.gz NCPROJABYSBRLO-QGZVFWFLSA-N 1 0 307.482 3.250 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000623630253 401559160 /nfs/dbraw/zinc/55/91/60/401559160.db2.gz ABLZFPIGMUMTBM-PBHICJAKSA-N 1 0 319.424 3.036 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)C1 ZINC000623637588 401559324 /nfs/dbraw/zinc/55/93/24/401559324.db2.gz BQPUKZFIOGXYPH-CABCVRRESA-N 1 0 317.420 3.278 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000624102329 401626219 /nfs/dbraw/zinc/62/62/19/401626219.db2.gz SWQCGFCAAGVRNA-KBPBESRZSA-N 1 0 305.409 3.134 10 30 DGEERO C=CCCCC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000624264412 401645192 /nfs/dbraw/zinc/64/51/92/401645192.db2.gz ZSKMJWPNDRBDDS-HKUYNNGSSA-N 1 0 317.477 3.007 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000624038108 401616625 /nfs/dbraw/zinc/61/66/25/401616625.db2.gz RLDKVUXRWVCXLB-CQSZACIVSA-N 1 0 311.422 3.236 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000624037701 401616971 /nfs/dbraw/zinc/61/69/71/401616971.db2.gz DKIRMMMOXWKUSD-AWEZNQCLSA-N 1 0 324.490 3.190 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624325772 401651874 /nfs/dbraw/zinc/65/18/74/401651874.db2.gz ANCMYFWXCGDDSZ-BRWVUGGUSA-N 1 0 307.482 3.152 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000624375029 401656676 /nfs/dbraw/zinc/65/66/76/401656676.db2.gz DVZROVWQRMOFGX-CVEARBPZSA-N 1 0 305.466 3.001 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000624464826 401662632 /nfs/dbraw/zinc/66/26/32/401662632.db2.gz QZZDEXCLGQLOIL-DOTOQJQBSA-N 1 0 319.493 3.247 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000629250971 401675263 /nfs/dbraw/zinc/67/52/63/401675263.db2.gz VMMIXWLMJXBHIU-MRXNPFEDSA-N 1 0 304.409 3.337 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000629250970 401675282 /nfs/dbraw/zinc/67/52/82/401675282.db2.gz VMMIXWLMJXBHIU-INIZCTEOSA-N 1 0 304.409 3.337 10 30 DGEERO CCc1nnc(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)[nH]1 ZINC000190664510 165211310 /nfs/dbraw/zinc/21/13/10/165211310.db2.gz SGZAVDJZGPDBNI-CYBMUJFWSA-N 1 0 309.417 3.179 10 30 DGEERO COc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1C#N ZINC000192375264 165291112 /nfs/dbraw/zinc/29/11/12/165291112.db2.gz ICJMYWKLCOUQFM-PXNSSMCTSA-N 1 0 322.408 3.434 10 30 DGEERO C=CCC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000131048070 196135557 /nfs/dbraw/zinc/13/55/57/196135557.db2.gz GKWZVSJMSZEZTK-IAGOWNOFSA-N 1 0 301.434 3.039 10 30 DGEERO Cc1c(C#N)cccc1NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000178539823 228342769 /nfs/dbraw/zinc/34/27/69/228342769.db2.gz SVTADZSIZLSLDN-GOSISDBHSA-N 1 0 322.412 3.291 10 30 DGEERO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000183681797 228375679 /nfs/dbraw/zinc/37/56/79/228375679.db2.gz VGVFARIKPORTEI-HOCLYGCPSA-N 1 0 307.401 3.275 10 30 DGEERO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1sccc1C#N)c1ccco1 ZINC000359548143 266362447 /nfs/dbraw/zinc/36/24/47/266362447.db2.gz UBUIMAZURXZNTN-DGCLKSJQSA-N 1 0 317.414 3.072 10 30 DGEERO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(C#N)cc1F ZINC000358577861 266964249 /nfs/dbraw/zinc/96/42/49/266964249.db2.gz VNMGACUNGLJTCD-CQSZACIVSA-N 1 0 317.408 3.141 10 30 DGEERO C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000357839413 267181361 /nfs/dbraw/zinc/18/13/61/267181361.db2.gz YFIYXMPCOBDNAW-AWEZNQCLSA-N 1 0 303.425 3.470 10 30 DGEERO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(C#N)cc1F ZINC000358577860 267182594 /nfs/dbraw/zinc/18/25/94/267182594.db2.gz VNMGACUNGLJTCD-AWEZNQCLSA-N 1 0 317.408 3.141 10 30 DGEERO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(C#N)cc1F ZINC000358571134 267182803 /nfs/dbraw/zinc/18/28/03/267182803.db2.gz OCLUVOYHOHKZMN-ZDUSSCGKSA-N 1 0 312.392 3.123 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NC23CCC(CC2)CC3)CC1 ZINC000458312255 275417660 /nfs/dbraw/zinc/41/76/60/275417660.db2.gz BDFQVEWKOPUNMV-UHFFFAOYSA-N 1 0 305.466 3.049 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000281162084 275419509 /nfs/dbraw/zinc/41/95/09/275419509.db2.gz BOBUGGDPZZNOGG-SKDZVZGDSA-N 1 0 305.393 3.392 10 30 DGEERO C=CCC[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000352074574 275424354 /nfs/dbraw/zinc/42/43/54/275424354.db2.gz NPPZUHHWKNQMLA-BBWFWOEESA-N 1 0 308.853 3.002 10 30 DGEERO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccnn1C ZINC000193013023 279458397 /nfs/dbraw/zinc/45/83/97/279458397.db2.gz MOEDJBKEOQJZHN-LBPRGKRZSA-N 1 0 307.319 3.141 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)NC1CCCCC1 ZINC000328851141 279503789 /nfs/dbraw/zinc/50/37/89/279503789.db2.gz UXVYWPZAVLBSOP-SGIREYDYSA-N 1 0 307.438 3.151 10 30 DGEERO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCSCC#N)c1 ZINC000074981359 431445022 /nfs/dbraw/zinc/44/50/22/431445022.db2.gz MPMAOWXMKPMZDJ-MRXNPFEDSA-N 1 0 320.458 3.488 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000076738348 431562457 /nfs/dbraw/zinc/56/24/57/431562457.db2.gz NAENJKZJXHOUEJ-GOSISDBHSA-N 1 0 316.445 3.257 10 30 DGEERO C=CC[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000116971680 431541342 /nfs/dbraw/zinc/54/13/42/431541342.db2.gz XYWOFLQHBVSDTD-OAHLLOKOSA-N 1 0 301.434 3.046 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000119282617 431670478 /nfs/dbraw/zinc/67/04/78/431670478.db2.gz VGTQDXGHBMKMLA-ROUUACIJSA-N 1 0 304.478 3.360 10 30 DGEERO CN(Cc1ccc(C#N)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119315697 431677134 /nfs/dbraw/zinc/67/71/34/431677134.db2.gz WOOQNGSKWYKHHT-UHFFFAOYSA-N 1 0 309.413 3.248 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000122944935 431849674 /nfs/dbraw/zinc/84/96/74/431849674.db2.gz KUACCLIFGFDCPB-CQSZACIVSA-N 1 0 300.431 3.216 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccc(F)cc4)CC3)n2c1 ZINC000123338769 431862268 /nfs/dbraw/zinc/86/22/68/431862268.db2.gz SFHWPBNOBHTEEA-UHFFFAOYSA-N 1 0 320.371 3.166 10 30 DGEERO Cc1ccccc1CCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000084676733 431832238 /nfs/dbraw/zinc/83/22/38/431832238.db2.gz JWQYHQGFEDUSIT-UHFFFAOYSA-N 1 0 320.440 3.017 10 30 DGEERO C=C[C@@](C)(O)C[N@H+](Cc1cccc(OC)c1OC)CC(C)C ZINC000036115466 431837741 /nfs/dbraw/zinc/83/77/41/431837741.db2.gz ITQPONXASNNYAY-GOSISDBHSA-N 1 0 307.434 3.099 10 30 DGEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(OCCCC#N)c1 ZINC000093437415 431914052 /nfs/dbraw/zinc/91/40/52/431914052.db2.gz HPIRVRHFFHETRI-FUHWJXTLSA-N 1 0 313.445 3.038 10 30 DGEERO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644457 431915336 /nfs/dbraw/zinc/91/53/36/431915336.db2.gz GHTAHDKHWUOSEB-WBVHZDCISA-N 1 0 318.461 3.175 10 30 DGEERO C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)CCN1C ZINC000093644152 431915521 /nfs/dbraw/zinc/91/55/21/431915521.db2.gz DDVRKJJYBZJMKZ-WMZOPIPTSA-N 1 0 315.461 3.284 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000093693267 431917954 /nfs/dbraw/zinc/91/79/54/431917954.db2.gz LHBLRIAAAAFYNV-KRWDZBQOSA-N 1 0 302.462 3.415 10 30 DGEERO C=CC[N@@H+](CCC(=O)NC(C)C)Cc1ccc(Cl)s1 ZINC000046502978 431897785 /nfs/dbraw/zinc/89/77/85/431897785.db2.gz BBLHSXODXKQOMR-UHFFFAOYSA-N 1 0 300.855 3.304 10 30 DGEERO C[NH+]1CCC(Oc2cccc3ncc(C#N)c(Cl)c32)CC1 ZINC000095937903 431927266 /nfs/dbraw/zinc/92/72/66/431927266.db2.gz SJBVKUZOGQKEAG-UHFFFAOYSA-N 1 0 301.777 3.233 10 30 DGEERO CC[NH+](CC)CCSc1nc(C(F)(F)F)ccc1C#N ZINC000097093852 431959944 /nfs/dbraw/zinc/95/99/44/431959944.db2.gz GVAPMNOYCTXWAG-UHFFFAOYSA-N 1 0 303.353 3.406 10 30 DGEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000248392322 432284475 /nfs/dbraw/zinc/28/44/75/432284475.db2.gz FHJYRAKSUMBDAI-NXHRZFHOSA-N 1 0 313.445 3.036 10 30 DGEERO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191974577 432320281 /nfs/dbraw/zinc/32/02/81/432320281.db2.gz GXBPEGMMAPPGMI-HKUYNNGSSA-N 1 0 312.457 3.055 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183796277 432326609 /nfs/dbraw/zinc/32/66/09/432326609.db2.gz FUHUDKXRERXUGA-MRXNPFEDSA-N 1 0 306.413 3.227 10 30 DGEERO C(#Cc1ccccc1)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000192061504 432329119 /nfs/dbraw/zinc/32/91/19/432329119.db2.gz ZSDYPERDNFMGJE-HXUWFJFHSA-N 1 0 313.441 3.088 10 30 DGEERO COC(=O)[C@H](C)[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000192115112 432333757 /nfs/dbraw/zinc/33/37/57/432333757.db2.gz NCGGAVXTBXLTCX-APWZRJJASA-N 1 0 307.393 3.178 10 30 DGEERO Cc1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cs1 ZINC000249456309 432348295 /nfs/dbraw/zinc/34/82/95/432348295.db2.gz NRHDSDYHZZXGGU-DLBZAZTESA-N 1 0 313.426 3.194 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249591314 432352542 /nfs/dbraw/zinc/35/25/42/432352542.db2.gz VNLRCDKRMKIZPB-BVGQSLNGSA-N 1 0 312.438 3.389 10 30 DGEERO C=CCC1(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCC1 ZINC000191838712 432308457 /nfs/dbraw/zinc/30/84/57/432308457.db2.gz YVOVEODVJUHHGD-UHFFFAOYSA-N 1 0 304.409 3.250 10 30 DGEERO C=CCN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000271396240 432387786 /nfs/dbraw/zinc/38/77/86/432387786.db2.gz KTCXHKVLKLTEMA-UHFFFAOYSA-N 1 0 313.445 3.142 10 30 DGEERO C=C(C)CN(CC)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000192961619 432433791 /nfs/dbraw/zinc/43/37/91/432433791.db2.gz SABPIFGTWZCVBN-UHFFFAOYSA-N 1 0 315.461 3.390 10 30 DGEERO N#Cc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc2ccccc12 ZINC000261633723 432437549 /nfs/dbraw/zinc/43/75/49/432437549.db2.gz CDSMSXRGMSQQOJ-KRWDZBQOSA-N 1 0 306.413 3.075 10 30 DGEERO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000193123803 432451988 /nfs/dbraw/zinc/45/19/88/432451988.db2.gz HRPRTAWQMXVAAR-ZFWWWQNUSA-N 1 0 320.458 3.060 10 30 DGEERO COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192784963 432414927 /nfs/dbraw/zinc/41/49/27/432414927.db2.gz ZEERRYVLPSOVIW-DOTOQJQBSA-N 1 0 313.445 3.336 10 30 DGEERO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccc(C#N)o1 ZINC000153584478 432422095 /nfs/dbraw/zinc/42/20/95/432422095.db2.gz JLALUUXPNAMXOV-HOTGVXAUSA-N 1 0 323.440 3.397 10 30 DGEERO CC(C)N1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000154093859 432471645 /nfs/dbraw/zinc/47/16/45/432471645.db2.gz QXJUSIBDBBBKRQ-LPHOPBHVSA-N 1 0 315.461 3.187 10 30 DGEERO C=CCOc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000176324393 432511644 /nfs/dbraw/zinc/51/16/44/432511644.db2.gz PPACZMSZTXFPRS-INIZCTEOSA-N 1 0 317.433 3.199 10 30 DGEERO C#CCC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958388 432548829 /nfs/dbraw/zinc/54/88/29/432548829.db2.gz YOTCIOQOKVLCFW-JKSUJKDBSA-N 1 0 318.848 3.251 10 30 DGEERO CC(=O)c1ccc(C#N)c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000272501016 432513695 /nfs/dbraw/zinc/51/36/95/432513695.db2.gz LGFQBVQMMONUTF-MSOLQXFVSA-N 1 0 311.429 3.212 10 30 DGEERO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)n2c1 ZINC000155088804 432538371 /nfs/dbraw/zinc/53/83/71/432538371.db2.gz CKZWJXZPSMAIQL-KRWDZBQOSA-N 1 0 316.408 3.271 10 30 DGEERO C=C(C)CN(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157487340 432621076 /nfs/dbraw/zinc/62/10/76/432621076.db2.gz UWUQHRPWPLANQJ-IBGZPJMESA-N 1 0 315.461 3.259 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000186695929 432622593 /nfs/dbraw/zinc/62/25/93/432622593.db2.gz WSAKFGNVNPOSBG-GXSJLCMTSA-N 1 0 302.187 3.176 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000186690020 432622808 /nfs/dbraw/zinc/62/28/08/432622808.db2.gz JUTWJDGJFSQFFA-LSDHHAIUSA-N 1 0 304.434 3.054 10 30 DGEERO CCN(C[C@@H](C)C#N)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000195435559 432623172 /nfs/dbraw/zinc/62/31/72/432623172.db2.gz NZHUKORFTAXCQF-IRXDYDNUSA-N 1 0 315.461 3.294 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186709713 432624389 /nfs/dbraw/zinc/62/43/89/432624389.db2.gz AAYZWWUWMQEIJF-BXUZGUMPSA-N 1 0 301.308 3.099 10 30 DGEERO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(-n2cncn2)cc1 ZINC000177681413 432649626 /nfs/dbraw/zinc/64/96/26/432649626.db2.gz CWDFZQNCPFLPNJ-LBPRGKRZSA-N 1 0 309.398 3.051 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160022594 432704921 /nfs/dbraw/zinc/70/49/21/432704921.db2.gz AORWMRQMIXZXBM-FUHWJXTLSA-N 1 0 315.461 3.257 10 30 DGEERO C=CCSCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658917 432712863 /nfs/dbraw/zinc/71/28/63/432712863.db2.gz YZHLKVAJJCAUIV-AWEZNQCLSA-N 1 0 314.495 3.142 10 30 DGEERO Cc1ccc([C@H]2CN(Cc3ccc(F)c(C#N)c3)CCO2)o1 ZINC000159149300 432672267 /nfs/dbraw/zinc/67/22/67/432672267.db2.gz NUTXNWOWOGCQCJ-QGZVFWFLSA-N 1 0 300.333 3.172 10 30 DGEERO C=C(C)[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187757312 432682783 /nfs/dbraw/zinc/68/27/83/432682783.db2.gz QYZOCEAMLGNXAX-CZUORRHYSA-N 1 0 313.388 3.348 10 30 DGEERO N#Cc1cccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160588922 432730717 /nfs/dbraw/zinc/73/07/17/432730717.db2.gz ZJGHVISBBPTTOE-KRWDZBQOSA-N 1 0 321.428 3.213 10 30 DGEERO C=CCC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000178453283 432738576 /nfs/dbraw/zinc/73/85/76/432738576.db2.gz BKUCQKVIEQWKBM-QZTJIDSGSA-N 1 0 313.445 3.184 10 30 DGEERO Cc1cc(C)n([C@H](C)CC(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000330068208 432891220 /nfs/dbraw/zinc/89/12/20/432891220.db2.gz VEJKWEIMOBWSAL-KLAILNCOSA-N 1 0 318.465 3.424 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245544882 432841693 /nfs/dbraw/zinc/84/16/93/432841693.db2.gz STYPWLLSOCBLHC-ZTFGCOKTSA-N 1 0 300.402 3.121 10 30 DGEERO CN(Cc1cc(F)ccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336709232 433179882 /nfs/dbraw/zinc/17/98/82/433179882.db2.gz MLZSUMCOJRKHQI-FQEVSTJZSA-N 1 0 323.415 3.404 10 30 DGEERO C=CCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374786502 433276826 /nfs/dbraw/zinc/27/68/26/433276826.db2.gz ZPYZMNPCTJVUIN-INIZCTEOSA-N 1 0 324.428 3.418 10 30 DGEERO C=CCCC[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000448027065 433353039 /nfs/dbraw/zinc/35/30/39/433353039.db2.gz LERSRDOIRXIUGB-OAHLLOKOSA-N 1 0 314.429 3.397 10 30 DGEERO C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000299130709 433328208 /nfs/dbraw/zinc/32/82/08/433328208.db2.gz DJBNLYKZFXKGHS-CQSZACIVSA-N 1 0 318.848 3.205 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000448368589 433397035 /nfs/dbraw/zinc/39/70/35/433397035.db2.gz WSUSYGHBZLLREA-BXWFABGCSA-N 1 0 317.429 3.020 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000448377199 433406074 /nfs/dbraw/zinc/40/60/74/433406074.db2.gz RGWQWYGVLKCYBN-FRQCXROJSA-N 1 0 317.429 3.020 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](CC)C2)cc1OC ZINC000421389906 433534306 /nfs/dbraw/zinc/53/43/06/433534306.db2.gz RTUSNBGYRWBYGN-HOTGVXAUSA-N 1 0 305.418 3.307 10 30 DGEERO C#CC[C@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000362118551 433534587 /nfs/dbraw/zinc/53/45/87/433534587.db2.gz OPWVHPWAGDBCKY-SFHVURJKSA-N 1 0 302.381 3.326 10 30 DGEERO N#Cc1cccc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000301296027 433494060 /nfs/dbraw/zinc/49/40/60/433494060.db2.gz XSMLIQKMMCCIPD-GOSISDBHSA-N 1 0 306.413 3.420 10 30 DGEERO C=CCOc1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000414474253 433638305 /nfs/dbraw/zinc/63/83/05/433638305.db2.gz XIIBAMYYQWVZLF-UHFFFAOYSA-N 1 0 309.413 3.421 10 30 DGEERO C#CCC[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000362458353 433726013 /nfs/dbraw/zinc/72/60/13/433726013.db2.gz ZEDAFXTVXUAYRJ-MRXNPFEDSA-N 1 0 302.805 3.111 10 30 DGEERO Cc1cc(C#N)cc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000342793598 433759553 /nfs/dbraw/zinc/75/95/53/433759553.db2.gz VWSMGJFFDLXTFY-INIZCTEOSA-N 1 0 308.429 3.584 10 30 DGEERO C[C@H]1C[NH+](Cc2cccc(Nc3cccc(C#N)n3)c2)C[C@H](C)O1 ZINC000301867661 433767381 /nfs/dbraw/zinc/76/73/81/433767381.db2.gz VUVIOSNGVLAIMA-GJZGRUSLSA-N 1 0 322.412 3.306 10 30 DGEERO Cc1cc(C#N)cc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000343026266 433769716 /nfs/dbraw/zinc/76/97/16/433769716.db2.gz MXFJRWBWVPDSCF-IBGZPJMESA-N 1 0 320.440 3.584 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1 ZINC000376672856 433798241 /nfs/dbraw/zinc/79/82/41/433798241.db2.gz OZWZHVYPBIDTMH-BEFAXECRSA-N 1 0 324.428 3.438 10 30 DGEERO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000432074352 433821191 /nfs/dbraw/zinc/82/11/91/433821191.db2.gz BTOJAUKMQNURQG-SJORKVTESA-N 1 0 315.461 3.333 10 30 DGEERO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000377197705 433851881 /nfs/dbraw/zinc/85/18/81/433851881.db2.gz RHOJSZNTUUYCNQ-IBGZPJMESA-N 1 0 324.428 3.288 10 30 DGEERO C=CCC[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000352074576 433902199 /nfs/dbraw/zinc/90/21/99/433902199.db2.gz NPPZUHHWKNQMLA-ULQDDVLXSA-N 1 0 308.853 3.002 10 30 DGEERO Cc1cc(C#N)cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000303741917 433963664 /nfs/dbraw/zinc/96/36/64/433963664.db2.gz VLSCTZHPJGBDLY-GOSISDBHSA-N 1 0 306.413 3.338 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)F)cc1Cl ZINC000295133770 434218534 /nfs/dbraw/zinc/21/85/34/434218534.db2.gz YOGPRIPGYKJSQQ-OCCSQVGLSA-N 1 0 319.779 3.399 10 30 DGEERO Cc1cc2c[nH]nc2c(C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000328711752 434301521 /nfs/dbraw/zinc/30/15/21/434301521.db2.gz RMCYFRCEXYYXDT-UHFFFAOYSA-N 1 0 314.433 3.440 10 30 DGEERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1CCCCNC1=O ZINC000328752032 434305860 /nfs/dbraw/zinc/30/58/60/434305860.db2.gz CTENCLVDAHSCTI-HUUCEWRRSA-N 1 0 309.454 3.354 10 30 DGEERO CCn1nc(C)c(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1C ZINC000328815718 434312951 /nfs/dbraw/zinc/31/29/51/434312951.db2.gz COYXUUSQCXHHPM-MQVJKMGUSA-N 1 0 318.465 3.034 10 30 DGEERO C[C@H](NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cccs1 ZINC000328922025 434329297 /nfs/dbraw/zinc/32/92/97/434329297.db2.gz UFOYMZVDUHWBOY-KANYHAFZSA-N 1 0 321.446 3.253 10 30 DGEERO C=CCCCCCN(C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366285945 434379629 /nfs/dbraw/zinc/37/96/29/434379629.db2.gz QYUFYJFGBSUTDB-UHFFFAOYSA-N 1 0 307.482 3.391 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000358394092 434393326 /nfs/dbraw/zinc/39/33/26/434393326.db2.gz FXASCOBGTQURFC-PKOBYXMFSA-N 1 0 302.462 3.398 10 30 DGEERO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596873 434398563 /nfs/dbraw/zinc/39/85/63/434398563.db2.gz WIUQAANHGHDVBI-GOEBONIOSA-N 1 0 303.425 3.468 10 30 DGEERO C[C@@H](NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358594775 434399294 /nfs/dbraw/zinc/39/92/94/434399294.db2.gz UDUVMJORIXSOAO-HUUCEWRRSA-N 1 0 303.425 3.468 10 30 DGEERO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1F ZINC000358574106 434400344 /nfs/dbraw/zinc/40/03/44/434400344.db2.gz ROKRLPDHCZGBDX-ZFWWWQNUSA-N 1 0 310.376 3.022 10 30 DGEERO C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000359101139 434411267 /nfs/dbraw/zinc/41/12/67/434411267.db2.gz JQEZTKSUVQPKJR-JKSUJKDBSA-N 1 0 319.497 3.144 10 30 DGEERO Cc1cc(C#N)nc(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000398144187 434457827 /nfs/dbraw/zinc/45/78/27/434457827.db2.gz NFVGETVNCDXCRK-GOSISDBHSA-N 1 0 323.444 3.225 10 30 DGEERO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000367035928 434536247 /nfs/dbraw/zinc/53/62/47/434536247.db2.gz LKKLMRHRLNNGNW-SJJHQCBESA-N 1 0 300.450 3.366 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000368084846 434566542 /nfs/dbraw/zinc/56/65/42/434566542.db2.gz HXFLIONPNVDLOJ-VQIMIIECSA-N 1 0 319.493 3.249 10 30 DGEERO COc1ccc(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)cc1C#N ZINC000368322709 434570956 /nfs/dbraw/zinc/57/09/56/434570956.db2.gz CTVQDWXODMMRFK-GOSISDBHSA-N 1 0 308.381 3.006 10 30 DGEERO C=C(C)COc1cc(C[NH+]2CC3(C2)CCCOC3)ccc1OC ZINC000459615238 434633256 /nfs/dbraw/zinc/63/32/56/434633256.db2.gz YUXAWGAIWILRNJ-UHFFFAOYSA-N 1 0 317.429 3.263 10 30 DGEERO C=CCN1CC[C@H]([N@@H+](C)[C@@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382866 434644845 /nfs/dbraw/zinc/64/48/45/434644845.db2.gz BSPUGXHXIOPOMH-ROUUACIJSA-N 1 0 318.436 3.112 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418503326 434665710 /nfs/dbraw/zinc/66/57/10/434665710.db2.gz XPMSLCBEARLXBL-GOSISDBHSA-N 1 0 311.429 3.447 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000424294380 434679812 /nfs/dbraw/zinc/67/98/12/434679812.db2.gz KTXMKEVOOGOQNB-LULLPPNCSA-N 1 0 301.430 3.335 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000424291626 434680130 /nfs/dbraw/zinc/68/01/30/434680130.db2.gz DWYMIZTXDAAVJS-MKBNYLNASA-N 1 0 319.836 3.468 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000424292709 434680284 /nfs/dbraw/zinc/68/02/84/434680284.db2.gz HEJFNFUNTIHXCU-QOKNQOGYSA-N 1 0 311.429 3.329 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000424291510 434681630 /nfs/dbraw/zinc/68/16/30/434681630.db2.gz DOAVHNDROWZSOI-XKQJLSEDSA-N 1 0 303.402 3.090 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000424295920 434684010 /nfs/dbraw/zinc/68/40/10/434684010.db2.gz NTCFNSXMQIRBHM-CQDKDKBSSA-N 1 0 313.800 3.347 10 30 DGEERO C=CCn1cc(C[NH2+][C@@H](C)CCc2ccc(Cl)s2)nn1 ZINC000424300906 434685938 /nfs/dbraw/zinc/68/59/38/434685938.db2.gz YRZCKZLNUNGGAJ-NSHDSACASA-N 1 0 310.854 3.290 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@H](CC(=O)NC)c2ccccc2)c1 ZINC000360769204 434686833 /nfs/dbraw/zinc/68/68/33/434686833.db2.gz AECBPXRTRAERNA-LJQANCHMSA-N 1 0 324.424 3.218 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@H](F)C1)C(C)C ZINC000424654080 434770239 /nfs/dbraw/zinc/77/02/39/434770239.db2.gz HRJNBFOEAPHWDG-IXDOHACOSA-N 1 0 310.457 3.330 10 30 DGEERO C=CCC1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000424603120 434755877 /nfs/dbraw/zinc/75/58/77/434755877.db2.gz ZRNVWSVQFCFQAK-QGZVFWFLSA-N 1 0 322.493 3.130 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000361115191 434801832 /nfs/dbraw/zinc/80/18/32/434801832.db2.gz WOPNXSGCWBYWKL-LPHOPBHVSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCC1(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)CCOCC1 ZINC000424747788 434794237 /nfs/dbraw/zinc/79/42/37/434794237.db2.gz HEGLHZLGISNWDA-UHFFFAOYSA-N 1 0 316.445 3.368 10 30 DGEERO C=CC1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000372677202 434846396 /nfs/dbraw/zinc/84/63/96/434846396.db2.gz YAMCFVXMHZTEOX-UHFFFAOYSA-N 1 0 313.445 3.031 10 30 DGEERO C[N@H+](CCC(=O)NCC1CCC(C#N)CC1)C1CCCCC1 ZINC000573055513 434871425 /nfs/dbraw/zinc/87/14/25/434871425.db2.gz KKKSZBFZGJOYGV-UHFFFAOYSA-N 1 0 305.466 3.087 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000464057513 434975463 /nfs/dbraw/zinc/97/54/63/434975463.db2.gz NWKNJKAXGHREBF-ZHALLVOQSA-N 1 0 306.494 3.212 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1OC ZINC000574417332 434976697 /nfs/dbraw/zinc/97/66/97/434976697.db2.gz CZYRDWVNNNHTGO-ZDUSSCGKSA-N 1 0 313.344 3.074 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000527806420 435015490 /nfs/dbraw/zinc/01/54/90/435015490.db2.gz KKKYTMUPYGYTJA-GOSISDBHSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCN1CC[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743953 435027509 /nfs/dbraw/zinc/02/75/09/435027509.db2.gz IJGMXWWAFYDYKP-IRXDYDNUSA-N 1 0 316.420 3.181 10 30 DGEERO C=CCN1CC[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743951 435028051 /nfs/dbraw/zinc/02/80/51/435028051.db2.gz IJGMXWWAFYDYKP-IAGOWNOFSA-N 1 0 316.420 3.181 10 30 DGEERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000528761536 435029107 /nfs/dbraw/zinc/02/91/07/435029107.db2.gz ZBVPJKVSVQVLIC-KIGUWFBYSA-N 1 0 323.234 3.222 10 30 DGEERO C(#Cc1ccccc1)C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000577029628 435058572 /nfs/dbraw/zinc/05/85/72/435058572.db2.gz FPZIKHINJKLZDT-FQEVSTJZSA-N 1 0 302.421 3.175 10 30 DGEERO C=CC[C@H]1N(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCC1(C)C ZINC000529350364 435035142 /nfs/dbraw/zinc/03/51/42/435035142.db2.gz DFOKIBYPIQXDQY-HUUCEWRRSA-N 1 0 305.466 3.047 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1 ZINC000466917810 435099000 /nfs/dbraw/zinc/09/90/00/435099000.db2.gz TWGNMTJBGAFSSU-IBGZPJMESA-N 1 0 311.425 3.253 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H](CO)Cc1ccccc1C ZINC000466918504 435099036 /nfs/dbraw/zinc/09/90/36/435099036.db2.gz ZNTLPRVPTAZXGS-IBGZPJMESA-N 1 0 311.425 3.253 10 30 DGEERO C=CCCCCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000565221938 435278294 /nfs/dbraw/zinc/27/82/94/435278294.db2.gz NMCYXJHMRRDGIQ-IRXDYDNUSA-N 1 0 307.482 3.297 10 30 DGEERO C=CCC[C@@H](O)C[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537176345 435428678 /nfs/dbraw/zinc/42/86/78/435428678.db2.gz CLFSBUFAYRFPDS-OAHLLOKOSA-N 1 0 324.262 3.443 10 30 DGEERO C=C(C)COCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000539060536 435536579 /nfs/dbraw/zinc/53/65/79/435536579.db2.gz UBGVBGKIFMHMBK-HKUYNNGSSA-N 1 0 302.462 3.079 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000539850473 435575578 /nfs/dbraw/zinc/57/55/78/435575578.db2.gz OHMMPURTCRIHTL-GOSISDBHSA-N 1 0 314.473 3.415 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000540567468 435607864 /nfs/dbraw/zinc/60/78/64/435607864.db2.gz JOVMGFSRWTXDTM-INIZCTEOSA-N 1 0 309.498 3.495 10 30 DGEERO C=CCCCCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570411451 435618307 /nfs/dbraw/zinc/61/83/07/435618307.db2.gz OPVXAUGZVUSRAB-SFHVURJKSA-N 1 0 300.446 3.371 10 30 DGEERO Cn1ccc([C@@H]([NH2+]CCCCC#N)c2ccc(Cl)cc2)n1 ZINC000541734983 435643397 /nfs/dbraw/zinc/64/33/97/435643397.db2.gz QBYGHZIWJZKXJU-INIZCTEOSA-N 1 0 302.809 3.446 10 30 DGEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2ccncc2C#N)cc1 ZINC000548481988 435696672 /nfs/dbraw/zinc/69/66/72/435696672.db2.gz JMNXHRFHTZLHTH-INIZCTEOSA-N 1 0 320.440 3.362 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000174561199 312764249 /nfs/dbraw/zinc/76/42/49/312764249.db2.gz RSFTVHQWPFXHOT-UHFFFAOYSA-N 1 0 318.323 3.328 10 30 DGEERO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)C2 ZINC000540976240 313991287 /nfs/dbraw/zinc/99/12/87/313991287.db2.gz CDBZVKGYNIECTG-ABAIWWIYSA-N 1 0 310.376 3.004 10 30 DGEERO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(C#N)cc1F ZINC000543762324 314157176 /nfs/dbraw/zinc/15/71/76/314157176.db2.gz IZTXHPLYVSXIRV-SNVBAGLBSA-N 1 0 304.287 3.317 10 30 DGEERO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CC=CCC1 ZINC000544110199 314173902 /nfs/dbraw/zinc/17/39/02/314173902.db2.gz BTXJNTCJAWKNCQ-CYBMUJFWSA-N 1 0 317.820 3.438 10 30 DGEERO C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1cccc(C#N)c1 ZINC000181547195 323258416 /nfs/dbraw/zinc/25/84/16/323258416.db2.gz ZCKCVTUTKZBPSJ-OXJNMPFZSA-N 1 0 307.441 3.382 10 30 DGEERO C=CCc1cc(C[NH2+]CCC2(COC)CC2)cc(OC)c1O ZINC000564961747 332303937 /nfs/dbraw/zinc/30/39/37/332303937.db2.gz XFRAASAENYFOHW-UHFFFAOYSA-N 1 0 305.418 3.036 10 30 DGEERO CC[NH+]1CCN(c2ccccc2N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185732705 333212848 /nfs/dbraw/zinc/21/28/48/333212848.db2.gz IMSXDYPJGHFJCP-IRXDYDNUSA-N 1 0 312.461 3.323 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000521425084 333380843 /nfs/dbraw/zinc/38/08/43/333380843.db2.gz HQIXRGHALXTTGR-SFHVURJKSA-N 1 0 318.436 3.257 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2CC=CCC2)CC1 ZINC000527730878 337759451 /nfs/dbraw/zinc/75/94/51/337759451.db2.gz RCTDYWNLAJRHOF-MRXNPFEDSA-N 1 0 305.466 3.073 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC(C2CCC2)C2CCC2)CC1 ZINC000527767841 337762277 /nfs/dbraw/zinc/76/22/77/337762277.db2.gz BQWSXLFMEDKIQP-UHFFFAOYSA-N 1 0 319.493 3.152 10 30 DGEERO C=CCSCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400707319 340151417 /nfs/dbraw/zinc/15/14/17/340151417.db2.gz LHLLAFVAYCLDRD-KGLIPLIRSA-N 1 0 314.495 3.141 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000505038682 340159672 /nfs/dbraw/zinc/15/96/72/340159672.db2.gz LAYJDZRFQAMSCS-HUUCEWRRSA-N 1 0 301.434 3.362 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000517588050 340473029 /nfs/dbraw/zinc/47/30/29/340473029.db2.gz GXZOLWIOKDFCKY-GFCCVEGCSA-N 1 0 310.191 3.222 10 30 DGEERO C=CCOc1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000530180885 340781891 /nfs/dbraw/zinc/78/18/91/340781891.db2.gz DECCUZHNACWXHP-UHFFFAOYSA-N 1 0 310.397 3.346 10 30 DGEERO C=CCCCCCN(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125239361 340803102 /nfs/dbraw/zinc/80/31/02/340803102.db2.gz GCCBGVISWJTUEU-UHFFFAOYSA-N 1 0 309.498 3.495 10 30 DGEERO C=CCNC(=O)C[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000543988871 341065237 /nfs/dbraw/zinc/06/52/37/341065237.db2.gz KNBCWOMZMFSZSM-FJVVXJACSA-N 1 0 304.459 3.308 10 30 DGEERO C=CCC(C)(C)CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000554529788 341456687 /nfs/dbraw/zinc/45/66/87/341456687.db2.gz CIVOHRJNAOGQKT-UHFFFAOYSA-N 1 0 315.461 3.325 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1OC)C(C)C ZINC000576016243 341820440 /nfs/dbraw/zinc/82/04/40/341820440.db2.gz OGGWCSAPDRRIEL-RCCFBDPRSA-N 1 0 322.493 3.006 10 30 DGEERO CC[NH+](CC)CCCNc1ccc(C#N)c(Br)c1 ZINC000228175553 1177025960 /nfs/dbraw/zinc/02/59/60/1177025960.db2.gz KZPAOMCHDYNTHI-UHFFFAOYSA-N 1 0 310.239 3.465 10 30 DGEERO C=CCC[C@@H](O)C[N@@H+](CCC)Cc1cccc(OC)c1OC ZINC000036097250 518713777 /nfs/dbraw/zinc/71/37/77/518713777.db2.gz GCDOSSCLMHZMOJ-MRXNPFEDSA-N 1 0 307.434 3.243 10 30 DGEERO CC#CCCCC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000345511907 526305194 /nfs/dbraw/zinc/30/51/94/526305194.db2.gz UIVNULOPFFASJT-MRXNPFEDSA-N 1 0 300.402 3.204 10 30 DGEERO C=CC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000360447904 526454521 /nfs/dbraw/zinc/45/45/21/526454521.db2.gz MNFLELXKDXTISM-UHFFFAOYSA-N 1 0 315.335 3.141 10 30 DGEERO C=CC[NH+]1CCC(Nc2cc(OCc3ccccc3)ncn2)CC1 ZINC000413130060 526454815 /nfs/dbraw/zinc/45/48/15/526454815.db2.gz QLPSHGVYQPKHQL-UHFFFAOYSA-N 1 0 324.428 3.118 10 30 DGEERO C=C(C)C[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000351062373 526502680 /nfs/dbraw/zinc/50/26/80/526502680.db2.gz ITYXENWIHCHLPB-INIZCTEOSA-N 1 0 300.446 3.322 10 30 DGEERO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000337178216 526512888 /nfs/dbraw/zinc/51/28/88/526512888.db2.gz KKKYMBPEKIEEQR-KXBFYZLASA-N 1 0 321.424 3.186 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444700638 526537406 /nfs/dbraw/zinc/53/74/06/526537406.db2.gz ODUPIYIGQSYFOD-OLZOCXBDSA-N 1 0 306.372 3.074 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1OC ZINC000355135137 526866912 /nfs/dbraw/zinc/86/69/12/526866912.db2.gz NTOUANOYMZWDHU-IRXDYDNUSA-N 1 0 317.429 3.261 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000355656668 526873658 /nfs/dbraw/zinc/87/36/58/526873658.db2.gz KIGOOULVSKLTOF-MJGOQNOKSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1ccc(C[NH2+]C2CCC(C(N)=O)CC2)cc1Cl ZINC000344428789 526884153 /nfs/dbraw/zinc/88/41/53/526884153.db2.gz UGQGVZRIZKOZET-UHFFFAOYSA-N 1 0 322.836 3.039 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000351941301 526934089 /nfs/dbraw/zinc/93/40/89/526934089.db2.gz PECGFSZDXUIYLE-UHFFFAOYSA-N 1 0 319.470 3.349 10 30 DGEERO C=CCC(C)(C)C[NH2+]Cc1cc2c(cc1OCCOC)OCO2 ZINC000339414702 527018279 /nfs/dbraw/zinc/01/82/79/527018279.db2.gz AUAQAUAYOBNERW-UHFFFAOYSA-N 1 0 321.417 3.132 10 30 DGEERO C=CCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342476305 527188568 /nfs/dbraw/zinc/18/85/68/527188568.db2.gz PWGXTEMSFVDWFY-GOSISDBHSA-N 1 0 300.446 3.466 10 30 DGEERO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358972678 527190782 /nfs/dbraw/zinc/19/07/82/527190782.db2.gz WUTGTBIDBZIRQT-YJBOKZPZSA-N 1 0 311.429 3.024 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000352201924 527250810 /nfs/dbraw/zinc/25/08/10/527250810.db2.gz WETUEHJGWPCALD-CYBMUJFWSA-N 1 0 304.463 3.190 10 30 DGEERO C=CCC[N@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000338569814 527326478 /nfs/dbraw/zinc/32/64/78/527326478.db2.gz WTIXQVHMJLLNOJ-VQIMIIECSA-N 1 0 301.478 3.498 10 30 DGEERO C=CCC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000131048283 527439836 /nfs/dbraw/zinc/43/98/36/527439836.db2.gz GKWZVSJMSZEZTK-DLBZAZTESA-N 1 0 301.434 3.039 10 30 DGEERO C=CCC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000305100318 527452740 /nfs/dbraw/zinc/45/27/40/527452740.db2.gz XNCVVNRBMZSPSL-GOSISDBHSA-N 1 0 301.430 3.217 10 30 DGEERO CC(C)(C#N)CCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121114130 527465009 /nfs/dbraw/zinc/46/50/09/527465009.db2.gz WCCNFMKLFYMQBZ-CZUORRHYSA-N 1 0 308.372 3.402 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000182064762 527981003 /nfs/dbraw/zinc/98/10/03/527981003.db2.gz OOADPOXHSLYZIX-SJLPKXTDSA-N 1 0 315.461 3.360 10 30 DGEERO CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H](C)c1ccc(C)o1 ZINC000127812492 528818689 /nfs/dbraw/zinc/81/86/89/528818689.db2.gz GZLJCYFNPHWCDA-LBPRGKRZSA-N 1 0 320.462 3.478 10 30 DGEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000131408052 545956602 /nfs/dbraw/zinc/95/66/02/545956602.db2.gz UZCRADBKFNTZSB-CABCVRRESA-N 1 0 304.434 3.063 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136376494 545982071 /nfs/dbraw/zinc/98/20/71/545982071.db2.gz IKFOCIADGVFVBJ-GFCCVEGCSA-N 1 0 300.855 3.290 10 30 DGEERO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000329695501 546490649 /nfs/dbraw/zinc/49/06/49/546490649.db2.gz XNFWWWRUXRDCAJ-XKQJLSEDSA-N 1 0 302.418 3.178 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1OC ZINC000342819211 546559508 /nfs/dbraw/zinc/55/95/08/546559508.db2.gz AAUJIBBBBPUYSB-QGZVFWFLSA-N 1 0 319.445 3.387 10 30 DGEERO C#Cc1cccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000730898015 574538412 /nfs/dbraw/zinc/53/84/12/574538412.db2.gz VDAINTZYWYTKJT-GOSISDBHSA-N 1 0 311.429 3.150 10 30 DGEERO C#CCOc1ccc(C[NH2+]Cc2ncc(C)c(OC)c2C)cc1 ZINC000733327829 574616169 /nfs/dbraw/zinc/61/61/69/574616169.db2.gz XNZZLEPDHOULMT-UHFFFAOYSA-N 1 0 310.397 3.009 10 30 DGEERO N#CCOc1ccc(Cl)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000735308870 574696278 /nfs/dbraw/zinc/69/62/78/574696278.db2.gz WSBUIQPPVLITFU-ZDUSSCGKSA-N 1 0 320.820 3.243 10 30 DGEERO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCO1 ZINC000735311336 574697145 /nfs/dbraw/zinc/69/71/45/574697145.db2.gz ODHMORZBYGTBFO-OAHLLOKOSA-N 1 0 308.809 3.243 10 30 DGEERO Cc1ccc(N=NC2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000727259673 576116301 /nfs/dbraw/zinc/11/63/01/576116301.db2.gz KULRXQVVRVUKBS-UHFFFAOYSA-N 1 0 308.429 3.496 10 30 DGEERO CCc1cccc(NC(=[NH2+])NCc2ccn(C3CCCC3)n2)c1 ZINC000119587714 621699506 /nfs/dbraw/zinc/69/95/06/621699506.db2.gz UJOFJAFUSVJDNT-UHFFFAOYSA-N 1 0 311.433 3.487 10 30 DGEERO C#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119742230 621721588 /nfs/dbraw/zinc/72/15/88/621721588.db2.gz ZJNXIEAVNVWNFP-IBGZPJMESA-N 1 0 312.457 3.351 10 30 DGEERO C#CCN(C(=O)NCCCCC[NH+]1CCCCC1)C1CCCC1 ZINC000122068661 622226739 /nfs/dbraw/zinc/22/67/39/622226739.db2.gz CUKGZRTWROMUPI-UHFFFAOYSA-N 1 0 319.493 3.230 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1 ZINC000130331535 625839144 /nfs/dbraw/zinc/83/91/44/625839144.db2.gz ZXKUHOVCIPRSSA-YOEHRIQHSA-N 1 0 301.386 3.446 10 30 DGEERO CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000218106802 627104256 /nfs/dbraw/zinc/10/42/56/627104256.db2.gz XKAIXGRMLLZZIF-XSCHDIRWSA-N 1 0 307.438 3.104 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C(C)(C)c1cccs1 ZINC000121403243 629912169 /nfs/dbraw/zinc/91/21/69/629912169.db2.gz OTEYRKJPFQZIDR-AWEZNQCLSA-N 1 0 307.459 3.303 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000700849290 660640501 /nfs/dbraw/zinc/64/05/01/660640501.db2.gz VGJJKDOHQVTVNM-GJZGRUSLSA-N 1 0 312.454 3.005 10 30 DGEERO C#CCCOc1ccc(C[NH2+]C[C@](C)(O)CCC(C)C)cc1 ZINC000236617421 655748029 /nfs/dbraw/zinc/74/80/29/655748029.db2.gz NHEOVCRMJJPSRI-LJQANCHMSA-N 1 0 303.446 3.366 10 30 DGEERO [NH2+]=C(NC[C@H](c1cccs1)N1CCCC1)NC1CCCCC1 ZINC000262379952 655849215 /nfs/dbraw/zinc/84/92/15/655849215.db2.gz XRJXPQYYFKZHKG-OAHLLOKOSA-N 1 0 320.506 3.122 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000716802298 661229384 /nfs/dbraw/zinc/22/93/84/661229384.db2.gz XZQJIASKJMCZLA-GFCCVEGCSA-N 1 0 303.349 3.426 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000716959028 661235538 /nfs/dbraw/zinc/23/55/38/661235538.db2.gz WLYDKUPJMMDUPE-LJQANCHMSA-N 1 0 309.409 3.394 10 30 DGEERO C#CC[C@@H](COC)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000716965226 661236510 /nfs/dbraw/zinc/23/65/10/661236510.db2.gz UDVCWTSRWMWJRN-SIWZUTFBSA-N 1 0 322.246 3.323 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299986225 656231049 /nfs/dbraw/zinc/23/10/49/656231049.db2.gz MHQGLIYGCJKMBM-YHUYYLMFSA-N 1 0 321.465 3.304 10 30 DGEERO CCCCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724313067 656513910 /nfs/dbraw/zinc/51/39/10/656513910.db2.gz RHMBOIHDTLIBJO-WZYMTQMTSA-N 1 0 301.496 3.433 10 30 DGEERO C=CCCCN(C)Cn1ncn(-c2ccccc2OC)c1=S ZINC000076664708 657360204 /nfs/dbraw/zinc/36/02/04/657360204.db2.gz PTBLVWRCHZSUCZ-UHFFFAOYSA-N 1 0 318.446 3.267 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCNc2ccc3ccccc3n2)c1 ZINC000303880220 657572006 /nfs/dbraw/zinc/57/20/06/657572006.db2.gz KDOHNCIYDGCUQU-UHFFFAOYSA-N 1 0 319.412 3.382 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCN2c3ccccc3C[C@@H]2C)c1 ZINC000303972485 657581740 /nfs/dbraw/zinc/58/17/40/657581740.db2.gz FUOHZDOAKLMPEZ-HNNXBMFYSA-N 1 0 308.429 3.173 10 30 DGEERO CC(C)(CNC(=[NH2+])NCCc1cccs1)c1ccccc1F ZINC000303980585 657583939 /nfs/dbraw/zinc/58/39/39/657583939.db2.gz OFMUMHQDGFDAHC-UHFFFAOYSA-N 1 0 319.449 3.312 10 30 DGEERO CC[C@@H](CNC(=[NH2+])NC1CC1)Cc1cccc(Br)c1 ZINC000304268165 657616108 /nfs/dbraw/zinc/61/61/08/657616108.db2.gz HMBANSBVQQGLTE-LLVKDONJSA-N 1 0 324.266 3.085 10 30 DGEERO COC1CCC(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000262508612 657640491 /nfs/dbraw/zinc/64/04/91/657640491.db2.gz ASXKEEFTWHYRPX-UHFFFAOYSA-N 1 0 301.434 3.107 10 30 DGEERO [NH2+]=C(NCc1c(F)cccc1OC(F)F)NC1CCCCC1 ZINC000304653571 657640757 /nfs/dbraw/zinc/64/07/57/657640757.db2.gz HNUIQWBAFNSMPG-UHFFFAOYSA-N 1 0 315.339 3.164 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000304757409 657648563 /nfs/dbraw/zinc/64/85/63/657648563.db2.gz OUXMMYSKOYSSLS-INIZCTEOSA-N 1 0 310.445 3.242 10 30 DGEERO [NH2+]=C(NC[C@H]1SCCc2ccccc21)NC1CCCCC1 ZINC000262509070 657649611 /nfs/dbraw/zinc/64/96/11/657649611.db2.gz CIAFGNCWFUOELO-MRXNPFEDSA-N 1 0 303.475 3.254 10 30 DGEERO COc1cccc(O[C@@H](C)CNC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000304782781 657651905 /nfs/dbraw/zinc/65/19/05/657651905.db2.gz GWMILNACRSFQPL-AWEZNQCLSA-N 1 0 313.401 3.198 10 30 DGEERO C[C@@H](CNC(=[NH2+])NCCc1cccs1)Sc1ccccc1 ZINC000304812212 657655144 /nfs/dbraw/zinc/65/51/44/657655144.db2.gz XWRNXSUJPKTTKV-ZDUSSCGKSA-N 1 0 319.499 3.376 10 30 DGEERO CCOCCC1(CNC(=[NH2+])NCCc2cccs2)CCCC1 ZINC000305062629 657671655 /nfs/dbraw/zinc/67/16/55/657671655.db2.gz GYBHXGNGZPACGK-UHFFFAOYSA-N 1 0 323.506 3.182 10 30 DGEERO C[C@H]1CCCN(C(=[NH2+])NCc2cccc(-c3ccccn3)c2)C1 ZINC000305170824 657691473 /nfs/dbraw/zinc/69/14/73/657691473.db2.gz AAYCNZUMRMGVNH-HNNXBMFYSA-N 1 0 308.429 3.295 10 30 DGEERO C[C@H]1CCCN(C(=[NH2+])NCCCCOCc2ccccc2)C1 ZINC000303986109 657701667 /nfs/dbraw/zinc/70/16/67/657701667.db2.gz UDEYBSRHSMUJFG-INIZCTEOSA-N 1 0 303.450 3.030 10 30 DGEERO CCc1cccc(NC(=[NH2+])NCc2nc3c(cccc3C)[nH]2)c1 ZINC000305713050 657921633 /nfs/dbraw/zinc/92/16/33/657921633.db2.gz KUYRVLNFPWESFV-UHFFFAOYSA-N 1 0 307.401 3.361 10 30 DGEERO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000098172845 657994744 /nfs/dbraw/zinc/99/47/44/657994744.db2.gz QWYKRJYIPAUTIA-UHFFFAOYSA-N 1 0 319.408 3.365 10 30 DGEERO CCOc1cccc([C@@H]2C[C@H]2NC(=[NH2+])NC2CCCCC2)c1 ZINC000262842533 658047157 /nfs/dbraw/zinc/04/71/57/658047157.db2.gz UYAKRIZRTLGTNF-DLBZAZTESA-N 1 0 301.434 3.178 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCc2cc(F)c(F)c(F)c2)c1 ZINC000305837691 658068100 /nfs/dbraw/zinc/06/81/00/658068100.db2.gz GEIIWFHGRQFVFK-UHFFFAOYSA-N 1 0 307.319 3.382 10 30 DGEERO C=CCc1cc(CN(C)C[C@@H]2CCC[N@H+]2CC)c(O)c(OC)c1 ZINC000164445578 658935189 /nfs/dbraw/zinc/93/51/89/658935189.db2.gz XQGGOUHBQJSCJT-KRWDZBQOSA-N 1 0 318.461 3.045 10 30 DGEERO C[NH+]=C(NCc1ccco1)NCc1ccccc1OC1CCC1 ZINC000172487787 659339874 /nfs/dbraw/zinc/33/98/74/659339874.db2.gz ZBFFBCFTHHPWDH-UHFFFAOYSA-N 1 0 313.401 3.076 10 30 DGEERO CCc1cnc(CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000174624383 659451032 /nfs/dbraw/zinc/45/10/32/659451032.db2.gz BAKSVHYIQVIUMK-ZDUSSCGKSA-N 1 0 315.442 3.329 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](C)C1CC1 ZINC000041635513 661835903 /nfs/dbraw/zinc/83/59/03/661835903.db2.gz VGJWTTUIINGWFE-NSHDSACASA-N 1 0 308.219 3.349 10 30 DGEERO Oc1ccccc1C[N@H+](CC#Cc1ccccc1)C[C@H]1CCCO1 ZINC000192102157 662087419 /nfs/dbraw/zinc/08/74/19/662087419.db2.gz BLRSTEPOWNZALE-HXUWFJFHSA-N 1 0 321.420 3.425 10 30 DGEERO C(#Cc1ccccc1)CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000192150294 662088904 /nfs/dbraw/zinc/08/89/04/662088904.db2.gz CNHQZLLFAZAMPH-NRFANRHFSA-N 1 0 304.437 3.465 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)/C=C/c1ccc(Cl)nc1 ZINC000089241534 662239194 /nfs/dbraw/zinc/23/91/94/662239194.db2.gz TXAOREBOLDNEHG-CFRMROPGSA-N 1 0 320.820 3.025 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)CCCC[NH2+]C ZINC000719710487 662297120 /nfs/dbraw/zinc/29/71/20/662297120.db2.gz MUICBJNSWJAXFW-UHFFFAOYSA-N 1 0 300.855 3.306 10 30 DGEERO CC(C)[N@H+](C)CCCNc1cc(Br)ccc1C#N ZINC000226254332 1176767726 /nfs/dbraw/zinc/76/77/26/1176767726.db2.gz OGSFPWDYXHQCIA-UHFFFAOYSA-N 1 0 310.239 3.463 10 30 DGEERO C[N@H+](CCCNc1cccc(C#N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000382952372 1197705328 /nfs/dbraw/zinc/70/53/28/1197705328.db2.gz BHKJJVJFEZQVIG-UHFFFAOYSA-N 1 0 324.384 3.400 10 30 DGEERO C[NH+](C)C1(CNc2cc(Br)ccc2C#N)CCC1 ZINC000097932680 1199163696 /nfs/dbraw/zinc/16/36/96/1199163696.db2.gz DCHLGTSLWLCGLG-UHFFFAOYSA-N 1 0 308.223 3.217 10 30 DGEERO Cc1ccc(NC(=[NH2+])NCc2cnn(-c3ccccc3)c2)cc1 ZINC000303786436 1199600076 /nfs/dbraw/zinc/60/00/76/1199600076.db2.gz RKBKRWPALPEJKL-UHFFFAOYSA-N 1 0 305.385 3.108 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc(OC)c1O ZINC000304651915 1199669669 /nfs/dbraw/zinc/66/96/69/1199669669.db2.gz QQSOKAYYEZQQDW-HKUYNNGSSA-N 1 0 319.445 3.160 10 30 DGEERO C[C@@H]1C[C@H](Nc2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000123363327 1200277224 /nfs/dbraw/zinc/27/72/24/1200277224.db2.gz WEJNXBPHEGSLGJ-ZWNOBZJWSA-N 1 0 308.223 3.215 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCc2csc(C)n2)cc1OC ZINC000237204307 1202657286 /nfs/dbraw/zinc/65/72/86/1202657286.db2.gz PYNOPNSOFSXMMM-UHFFFAOYSA-N 1 0 318.442 3.357 10 30 DGEERO C[C@H]1CCc2ccccc2N1C(=O)C[N+](C)(C)C1CCCC1 ZINC000029414909 717118788 /nfs/dbraw/zinc/11/87/88/717118788.db2.gz RTQYZSPJFMCIIG-HNNXBMFYSA-N 1 0 301.454 3.373 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccc(C#N)cc1 ZINC000405924887 1094456783 /nfs/dbraw/zinc/45/67/83/1094456783.db2.gz DPZPGYSWQRQRPN-CQSZACIVSA-N 1 0 308.381 3.454 10 30 DGEERO C[N@H+](CCNc1cc(C#N)sc1[N+](=O)[O-])Cc1ccccc1 ZINC000407157765 1094765201 /nfs/dbraw/zinc/76/52/01/1094765201.db2.gz MVSCTYQYJVZSII-UHFFFAOYSA-N 1 0 316.386 3.072 10 30 DGEERO COCCOCC[N@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000192068635 1095040769 /nfs/dbraw/zinc/04/07/69/1095040769.db2.gz XBUFRDBBMXFBPK-UHFFFAOYSA-N 1 0 323.436 3.203 10 30 DGEERO Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000701875212 1108995716 /nfs/dbraw/zinc/99/57/16/1108995716.db2.gz WSLQVAFHVQPQHQ-DYESRHJHSA-N 1 0 319.452 3.477 10 30 DGEERO Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000701875214 1108996228 /nfs/dbraw/zinc/99/62/28/1108996228.db2.gz WSLQVAFHVQPQHQ-LAUBAEHRSA-N 1 0 319.452 3.477 10 30 DGEERO C/C=C1\C[N@@H+]2CC[C@]34c5ccccc5NC3=C(CC=O)[C@H]1C[C@H]24 ZINC000103016912 432001992 /nfs/dbraw/zinc/00/19/92/432001992.db2.gz XYYMIIIQUBXBGN-WEBNNTSLSA-N 1 0 306.409 3.247 10 30 DGEERO CN(Cc1cc(C#N)ccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310509534 529976370 /nfs/dbraw/zinc/97/63/70/529976370.db2.gz JWUVJGZXVLFIEQ-IBGZPJMESA-N 1 0 323.415 3.404 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000181756265 199348234 /nfs/dbraw/zinc/34/82/34/199348234.db2.gz RIPLOLCURJNFRP-CQSZACIVSA-N 1 0 324.380 3.059 10 30 DGEERO CC[N@@H+]1CCC[C@H](Nc2ccc(Br)cc2C#N)C1 ZINC000130435540 432025216 /nfs/dbraw/zinc/02/52/16/432025216.db2.gz UMTHWSOSHMJSJV-ZDUSSCGKSA-N 1 0 308.223 3.217 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000174255238 198310781 /nfs/dbraw/zinc/31/07/81/198310781.db2.gz IKAMCNVNWPDQFL-LBPRGKRZSA-N 1 0 309.369 3.351 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000163835584 432043530 /nfs/dbraw/zinc/04/35/30/432043530.db2.gz SASPNHRSOWCDBM-UHFFFAOYSA-N 1 0 307.397 3.075 10 30 DGEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262370453 283092614 /nfs/dbraw/zinc/09/26/14/283092614.db2.gz XLCXFQOXTWYOAS-GDLCADMTSA-N 1 0 309.335 3.141 10 30 DGEERO COc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1C#N ZINC000135062941 432096815 /nfs/dbraw/zinc/09/68/15/432096815.db2.gz ONXVGWTZUMFIDY-GOSISDBHSA-N 1 0 313.445 3.017 10 30 DGEERO C=C(C)CN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000180832777 432101837 /nfs/dbraw/zinc/10/18/37/432101837.db2.gz AHHHVXVMRCPRGP-SFHVURJKSA-N 1 0 315.461 3.259 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449235552 240083998 /nfs/dbraw/zinc/08/39/98/240083998.db2.gz GSBXOOHGZZWOKZ-GFCCVEGCSA-N 1 0 321.218 3.024 10 30 DGEERO C=CC[C@@H](CO)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449211079 240070116 /nfs/dbraw/zinc/07/01/16/240070116.db2.gz WXQXUQVYBPMKRZ-LLVKDONJSA-N 1 0 324.396 3.363 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000449284399 240108014 /nfs/dbraw/zinc/10/80/14/240108014.db2.gz OSASJWFCCXMOQC-WBVHZDCISA-N 1 0 304.482 3.422 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449497555 240246310 /nfs/dbraw/zinc/24/63/10/240246310.db2.gz ANNSYYZDMDQGAF-IEBWSBKVSA-N 1 0 301.430 3.138 10 30 DGEERO C=C(C)COc1cc(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)ccc1OC ZINC000449424481 240193968 /nfs/dbraw/zinc/19/39/68/240193968.db2.gz PDPWAYSPEHBYAY-IRXDYDNUSA-N 1 0 319.445 3.243 10 30 DGEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)o1 ZINC000091966758 193133697 /nfs/dbraw/zinc/13/36/97/193133697.db2.gz NEMBAIQLHKSEPM-QAPCUYQASA-N 1 0 314.360 3.378 10 30 DGEERO C=CCC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246221953 432108873 /nfs/dbraw/zinc/10/88/73/432108873.db2.gz BKUCQKVIEQWKBM-ZWKOTPCHSA-N 1 0 313.445 3.184 10 30 DGEERO C=CCCCNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458722553 243138148 /nfs/dbraw/zinc/13/81/48/243138148.db2.gz KQNZWVLFWAYEJE-UHFFFAOYSA-N 1 0 321.387 3.011 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C(C)C ZINC000469502398 244109151 /nfs/dbraw/zinc/10/91/51/244109151.db2.gz XTTHBKPATZKLGP-XWTMOSNGSA-N 1 0 304.478 3.237 10 30 DGEERO C=CC[NH2+][C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494204156 246120958 /nfs/dbraw/zinc/12/09/58/246120958.db2.gz HTHGBEWAMHVUDG-ZBFHGGJFSA-N 1 0 310.800 3.305 10 30 DGEERO C=C[C@H]1CCCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000495185014 246244616 /nfs/dbraw/zinc/24/46/16/246244616.db2.gz RRPQWLOFOCKFEX-INIZCTEOSA-N 1 0 319.424 3.137 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000136284122 284499567 /nfs/dbraw/zinc/49/95/67/284499567.db2.gz CHJDAONEMZTZAT-LBPRGKRZSA-N 1 0 312.344 3.319 10 30 DGEERO C=CCOc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000032448606 182643333 /nfs/dbraw/zinc/64/33/33/182643333.db2.gz NOSAEGHLDCGBGC-LJQANCHMSA-N 1 0 324.424 3.284 10 30 DGEERO Cc1cnn([C@@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)c1 ZINC000171530094 432142310 /nfs/dbraw/zinc/14/23/10/432142310.db2.gz WGAVALAXJXICIG-GOSISDBHSA-N 1 0 324.428 3.169 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CCC#N ZINC000042952573 183320341 /nfs/dbraw/zinc/32/03/41/183320341.db2.gz DUXPOHFECSPBPT-KBPBESRZSA-N 1 0 310.239 3.073 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)C[C@@H](C)C#N ZINC000042955212 183321650 /nfs/dbraw/zinc/32/16/50/183321650.db2.gz YJDFZIJQSWKLHR-NILFDRSVSA-N 1 0 324.266 3.319 10 30 DGEERO CC(C)N(CCC#N)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955401 183321764 /nfs/dbraw/zinc/32/17/64/183321764.db2.gz BNYZRTUPLUTLCW-DOMZBBRYSA-N 1 0 324.266 3.461 10 30 DGEERO CCN(CCC#N)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021681 183329915 /nfs/dbraw/zinc/32/99/15/183329915.db2.gz MUOKEGVDFSLJBO-BXUZGUMPSA-N 1 0 310.239 3.073 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120175413 195111721 /nfs/dbraw/zinc/11/17/21/195111721.db2.gz IEBBCOWHHWOGCK-INIZCTEOSA-N 1 0 312.392 3.293 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157571876 197198632 /nfs/dbraw/zinc/19/86/32/197198632.db2.gz RTJBGALAGOHJCE-CQSZACIVSA-N 1 0 320.481 3.022 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000595079780 400100932 /nfs/dbraw/zinc/10/09/32/400100932.db2.gz YPKACKJACNTSHQ-MRXNPFEDSA-N 1 0 304.390 3.500 10 30 DGEERO C=CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000091624064 400128388 /nfs/dbraw/zinc/12/83/88/400128388.db2.gz FLLJJPXSIBKMSN-AWEZNQCLSA-N 1 0 320.433 3.319 10 30 DGEERO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000586790583 400157759 /nfs/dbraw/zinc/15/77/59/400157759.db2.gz FJHTWCSZYWCVEM-MRXNPFEDSA-N 1 0 320.440 3.315 10 30 DGEERO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494603 400386815 /nfs/dbraw/zinc/38/68/15/400386815.db2.gz CIIIUAOFQLZEEJ-NEWSRXKRSA-N 1 0 317.477 3.252 10 30 DGEERO C=CCCC(C)(C)C[NH2+]CC1(O)CCC(C(=O)OCC)CC1 ZINC000601968078 400390180 /nfs/dbraw/zinc/39/01/80/400390180.db2.gz LRLXBOWTTNFNEN-UHFFFAOYSA-N 1 0 311.466 3.053 10 30 DGEERO C=CCOc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000578749116 400331779 /nfs/dbraw/zinc/33/17/79/400331779.db2.gz RGESFFMWCJFOCG-GOSISDBHSA-N 1 0 320.864 3.480 10 30 DGEERO N#CCCC[N@@H+](CC[C@H](O)C(F)(F)F)Cc1ccccc1 ZINC000038958086 400397164 /nfs/dbraw/zinc/39/71/64/400397164.db2.gz RNJTTZITQKQIRH-AWEZNQCLSA-N 1 0 300.324 3.106 10 30 DGEERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000042979340 400448847 /nfs/dbraw/zinc/44/88/47/400448847.db2.gz AGVHZVAWUUMLLL-KUHUBIRLSA-N 1 0 313.445 3.269 10 30 DGEERO C=C(C)C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)OC ZINC000602733559 400556890 /nfs/dbraw/zinc/55/68/90/400556890.db2.gz JDIOGVMFIDGMDE-BPQIPLTHSA-N 1 0 322.493 3.127 10 30 DGEERO C=C[C@H](NC)c1ncc(Br)cc1Br ZINC000133296539 400569539 /nfs/dbraw/zinc/56/95/39/400569539.db2.gz MWUOIRXOYCBGGS-QMMMGPOBSA-N 1 0 306.001 3.053 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603000921 400624210 /nfs/dbraw/zinc/62/42/10/400624210.db2.gz UHMYRFQGLUTPKQ-CYBMUJFWSA-N 1 0 306.406 3.385 10 30 DGEERO C=CCC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602808833 400582019 /nfs/dbraw/zinc/58/20/19/400582019.db2.gz ZZAHSPHYIHEFJE-HNNXBMFYSA-N 1 0 300.362 3.125 10 30 DGEERO C=CC[N@@H+](CCC[C@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000592065134 400601374 /nfs/dbraw/zinc/60/13/74/400601374.db2.gz NQOXMPNNIIBPCP-HNNXBMFYSA-N 1 0 304.390 3.400 10 30 DGEERO C=C(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130739 400611049 /nfs/dbraw/zinc/61/10/49/400611049.db2.gz LNTLQZJYQSVQIR-WKILWMFISA-N 1 0 304.390 3.276 10 30 DGEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000076574488 400661833 /nfs/dbraw/zinc/66/18/33/400661833.db2.gz FOMHADWWZOFUKW-CVEARBPZSA-N 1 0 315.461 3.469 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076737922 400669599 /nfs/dbraw/zinc/66/95/99/400669599.db2.gz NKGORZINZAEXOF-GFCCVEGCSA-N 1 0 305.809 3.437 10 30 DGEERO C=CCCCN(C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000076951614 400681911 /nfs/dbraw/zinc/68/19/11/400681911.db2.gz LUBMLGPNWHGNEK-IRXDYDNUSA-N 1 0 309.498 3.352 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000604652376 400794727 /nfs/dbraw/zinc/79/47/27/400794727.db2.gz JTHROJOUYORSLS-HZPDHXFCSA-N 1 0 307.482 3.152 10 30 DGEERO C=CC[C@H]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C1 ZINC000593636890 400884423 /nfs/dbraw/zinc/88/44/23/400884423.db2.gz OZDQYADBJPYLPK-HOTGVXAUSA-N 1 0 323.477 3.459 10 30 DGEERO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)nc1 ZINC000619753557 400898604 /nfs/dbraw/zinc/89/86/04/400898604.db2.gz DJMLYJAHLPPNOL-QZTJIDSGSA-N 1 0 310.445 3.090 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000184286055 400903248 /nfs/dbraw/zinc/90/32/48/400903248.db2.gz JTXHNEHHJZTLOY-KRWDZBQOSA-N 1 0 315.388 3.431 10 30 DGEERO C=CCN(Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000261401000 401112134 /nfs/dbraw/zinc/11/21/34/401112134.db2.gz GMWKRWMFVDCXDU-OAQYLSRUSA-N 1 0 324.468 3.168 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)CC2CCC(F)(F)CC2)CC1 ZINC000625323467 401100175 /nfs/dbraw/zinc/10/01/75/401100175.db2.gz YTFOIKSTIOUSDQ-UHFFFAOYSA-N 1 0 314.420 3.359 10 30 DGEERO C=CCCOCCCCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633944652 401155459 /nfs/dbraw/zinc/15/54/59/401155459.db2.gz KSBPQOCDRSEQAF-UHFFFAOYSA-N 1 0 322.493 3.226 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000600183480 401212440 /nfs/dbraw/zinc/21/24/40/401212440.db2.gz DYQWMASDNBVZQQ-AWEZNQCLSA-N 1 0 305.418 3.319 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594968968 401213142 /nfs/dbraw/zinc/21/31/42/401213142.db2.gz YCCCHSPBUAOZLR-VWKPWSFCSA-N 1 0 307.459 3.031 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625784147 401216808 /nfs/dbraw/zinc/21/68/08/401216808.db2.gz GZKQMPKLCAEVMU-YJBOKZPZSA-N 1 0 313.445 3.102 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000625703955 401187943 /nfs/dbraw/zinc/18/79/43/401187943.db2.gz QFHCUDUXHIHHPH-HUUCEWRRSA-N 1 0 304.409 3.243 10 30 DGEERO C=CC[C@@H]1CC[N@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000625705151 401188244 /nfs/dbraw/zinc/18/82/44/401188244.db2.gz XNRSAKNLZSZEKJ-CQSZACIVSA-N 1 0 302.443 3.023 10 30 DGEERO C=CCC1([NH2+]CCc2nnnn2-c2ccccc2)CCCCC1 ZINC000625936977 401259920 /nfs/dbraw/zinc/25/99/20/401259920.db2.gz FEPIQVMWHQLPET-UHFFFAOYSA-N 1 0 311.433 3.073 10 30 DGEERO C=CC(C)(C)CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000626289090 401335475 /nfs/dbraw/zinc/33/54/75/401335475.db2.gz CFGXKHXOPOFXOL-UHFFFAOYSA-N 1 0 319.449 3.351 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000630864925 401344299 /nfs/dbraw/zinc/34/42/99/401344299.db2.gz HDXKNEPNHPZJEO-QGZVFWFLSA-N 1 0 304.478 3.313 10 30 DGEERO C=C(C)[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(F)c1 ZINC000627015823 401432134 /nfs/dbraw/zinc/43/21/34/401432134.db2.gz CNTPYRKCVXSKHH-FFSVYQOJSA-N 1 0 323.387 3.022 10 30 DGEERO C=CCC[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000627003531 401432192 /nfs/dbraw/zinc/43/21/92/401432192.db2.gz RCNUCNZKBIAECS-DLBZAZTESA-N 1 0 313.445 3.278 10 30 DGEERO C=CC(C)(C)CCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000627120329 401446722 /nfs/dbraw/zinc/44/67/22/401446722.db2.gz BHWBZJRNOMJNMU-UHFFFAOYSA-N 1 0 303.450 3.149 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCOC2)cc1OC ZINC000623407958 401510101 /nfs/dbraw/zinc/51/01/01/401510101.db2.gz BEHGCOSKAZHSNP-ZDUSSCGKSA-N 1 0 311.809 3.182 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)ccc1OC ZINC000623753015 401576226 /nfs/dbraw/zinc/57/62/26/401576226.db2.gz PWIHHAZKZDIZNM-WMZOPIPTSA-N 1 0 317.429 3.307 10 30 DGEERO C=CC[C@H]1CC[C@@H]([NH2+]CC[C@@H](O)COCc2ccccc2)C1 ZINC000623828353 401584597 /nfs/dbraw/zinc/58/45/97/401584597.db2.gz VFNQZLJJZBCKLI-QXAKKESOSA-N 1 0 303.446 3.289 10 30 DGEERO C=CCOCCC[NH2+]Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000623569321 401548283 /nfs/dbraw/zinc/54/82/83/401548283.db2.gz BHXWUVHVERDIQJ-UHFFFAOYSA-N 1 0 303.324 3.396 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C/C=C/C)C2)CC1 ZINC000623579164 401550503 /nfs/dbraw/zinc/55/05/03/401550503.db2.gz POQZFTJYASMXSN-LAQIPUCWSA-N 1 0 319.493 3.415 10 30 DGEERO C=CC[C@H]1CC[C@@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)C1 ZINC000623637591 401559615 /nfs/dbraw/zinc/55/96/15/401559615.db2.gz BQPUKZFIOGXYPH-LSDHHAIUSA-N 1 0 317.420 3.278 10 30 DGEERO C=CCOCC[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623957570 401605013 /nfs/dbraw/zinc/60/50/13/401605013.db2.gz NKIDXGZRZFBUTM-SNVBAGLBSA-N 1 0 322.758 3.477 10 30 DGEERO C=CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000628486113 401606667 /nfs/dbraw/zinc/60/66/67/401606667.db2.gz AWZSSHPEJYCXFT-PKOBYXMFSA-N 1 0 312.457 3.323 10 30 DGEERO C=C1CC(C)(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000632701594 401620312 /nfs/dbraw/zinc/62/03/12/401620312.db2.gz LTHZCNIKSFJLSW-NVXWUHKLSA-N 1 0 300.446 3.459 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185623085 165010297 /nfs/dbraw/zinc/01/02/97/165010297.db2.gz QXOFFUIWUHORDM-DYVFJYSZSA-N 1 0 308.381 3.221 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000228719904 165390623 /nfs/dbraw/zinc/39/06/23/165390623.db2.gz CJNLAFYBKSLVFU-RDJZCZTQSA-N 1 0 304.821 3.339 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1 ZINC000247286060 432218408 /nfs/dbraw/zinc/21/84/08/432218408.db2.gz YWPVOUANRPSJRJ-YTQUADARSA-N 1 0 317.429 3.020 10 30 DGEERO Cc1cc[n+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 ZINC000029241836 226796039 /nfs/dbraw/zinc/79/60/39/226796039.db2.gz RIFSRJJWAFAYSV-OAHLLOKOSA-N 1 0 313.446 3.200 10 30 DGEERO [NH2+]=C(NC[C@H](O)c1cc2ccccc2s1)NC1CCCCC1 ZINC000159382898 228241476 /nfs/dbraw/zinc/24/14/76/228241476.db2.gz OAVBUKHKQQIARH-AWEZNQCLSA-N 1 0 317.458 3.172 10 30 DGEERO C[N+](C)(C1CCCC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000160081454 228244629 /nfs/dbraw/zinc/24/46/29/228244629.db2.gz XHOXGBPSKZCUDT-QGZVFWFLSA-N 1 0 305.417 3.340 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000162499806 228257670 /nfs/dbraw/zinc/25/76/70/228257670.db2.gz ZUPFWBDZLSDING-IFXJQAMLSA-N 1 0 313.445 3.107 10 30 DGEERO [NH2+]=C(NCC1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262380642 228643373 /nfs/dbraw/zinc/64/33/73/228643373.db2.gz XTMSVOQLEWXIKB-UHFFFAOYSA-N 1 0 303.406 3.155 10 30 DGEERO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358561640 270003997 /nfs/dbraw/zinc/00/39/97/270003997.db2.gz SNAQWSKFMOJSIK-CKFHNAJUSA-N 1 0 312.388 3.340 10 30 DGEERO N#Cc1ncccc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000357192913 268327506 /nfs/dbraw/zinc/32/75/06/268327506.db2.gz ULDFNIGYNBXAIA-KRWDZBQOSA-N 1 0 306.413 3.420 10 30 DGEERO C=C[C@H](CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC)c1ccccc1 ZINC000247920974 432254038 /nfs/dbraw/zinc/25/40/38/432254038.db2.gz BSUPKPVNDIEECR-QRQLOZEOSA-N 1 0 312.457 3.432 10 30 DGEERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000154896782 274292812 /nfs/dbraw/zinc/29/28/12/274292812.db2.gz YRHOURKCFRIMCT-GFCCVEGCSA-N 1 0 304.825 3.060 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000281162078 275419689 /nfs/dbraw/zinc/41/96/89/275419689.db2.gz BOBUGGDPZZNOGG-OWQGQXMQSA-N 1 0 305.393 3.392 10 30 DGEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000285185874 277696759 /nfs/dbraw/zinc/69/67/59/277696759.db2.gz ROKYIGYARQYMMQ-VQTJNVASSA-N 1 0 320.436 3.040 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249591316 278306610 /nfs/dbraw/zinc/30/66/10/278306610.db2.gz VNLRCDKRMKIZPB-JEBQAFNWSA-N 1 0 312.438 3.389 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116430414 431512699 /nfs/dbraw/zinc/51/26/99/431512699.db2.gz SHNPIZBLURQKCK-MRXNPFEDSA-N 1 0 317.433 3.167 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000076801833 431560259 /nfs/dbraw/zinc/56/02/59/431560259.db2.gz KCVUWTJJMICEBQ-UHFFFAOYSA-N 1 0 311.769 3.085 10 30 DGEERO C=CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076736070 431562077 /nfs/dbraw/zinc/56/20/77/431562077.db2.gz XCGYZMADCYXFEL-UHFFFAOYSA-N 1 0 317.458 3.335 10 30 DGEERO C=CCCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000076734291 431562969 /nfs/dbraw/zinc/56/29/69/431562969.db2.gz SQNMIQKYKARNAH-UHFFFAOYSA-N 1 0 302.334 3.043 10 30 DGEERO C=CCCCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077547227 431608128 /nfs/dbraw/zinc/60/81/28/431608128.db2.gz WBIGEEWUOOLTAE-UHFFFAOYSA-N 1 0 315.461 3.390 10 30 DGEERO C#CCCOc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000122095092 431813097 /nfs/dbraw/zinc/81/30/97/431813097.db2.gz VBKJGZUEYKTMJV-UHFFFAOYSA-N 1 0 323.440 3.197 10 30 DGEERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000123014582 431852672 /nfs/dbraw/zinc/85/26/72/431852672.db2.gz ROMXXRKEXKTKDV-FUHWJXTLSA-N 1 0 324.428 3.320 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCc4ccccc43)n2c1 ZINC000123715122 431872294 /nfs/dbraw/zinc/87/22/94/431872294.db2.gz NVBNAKBPEVWTFV-INIZCTEOSA-N 1 0 302.381 3.026 10 30 DGEERO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122321557 431826383 /nfs/dbraw/zinc/82/63/83/431826383.db2.gz WXKBPIBXUYCVPK-JKSUJKDBSA-N 1 0 315.461 3.296 10 30 DGEERO CC(C)c1csc(CNCc2cnc3ccc(C#N)cn23)n1 ZINC000125661876 431932964 /nfs/dbraw/zinc/93/29/64/431932964.db2.gz FPXNSUVJVNLCEF-UHFFFAOYSA-N 1 0 311.414 3.076 10 30 DGEERO Cc1ccc[n+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000184552954 281185011 /nfs/dbraw/zinc/18/50/11/281185011.db2.gz SNFMWVWWXMPUSE-HNNXBMFYSA-N 1 0 321.322 3.279 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128072031 431987259 /nfs/dbraw/zinc/98/72/59/431987259.db2.gz KSGJZOVJEYSEDQ-IAGOWNOFSA-N 1 0 310.401 3.037 10 30 DGEERO O[C@]12CCCC[C@H]1C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000248185593 432274242 /nfs/dbraw/zinc/27/42/42/432274242.db2.gz XGIGOGZCNRTDIX-WMZOPIPTSA-N 1 0 303.833 3.319 10 30 DGEERO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000173817919 432300874 /nfs/dbraw/zinc/30/08/74/432300874.db2.gz PJTBDXHFXIPROZ-GUYCJALGSA-N 1 0 305.381 3.335 10 30 DGEERO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000057869592 431994111 /nfs/dbraw/zinc/99/41/11/431994111.db2.gz DKAGDJFPLVILDJ-MRXNPFEDSA-N 1 0 319.424 3.008 10 30 DGEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192009042 432321277 /nfs/dbraw/zinc/32/12/77/432321277.db2.gz LWWHDYIVCXDFSU-KRWDZBQOSA-N 1 0 312.392 3.385 10 30 DGEERO COc1cc(C)c(C[N@H+](C)CC#Cc2ccccc2)cc1OC ZINC000191875625 432310010 /nfs/dbraw/zinc/31/00/10/432310010.db2.gz ATMXOZIHVVPPQK-UHFFFAOYSA-N 1 0 309.409 3.496 10 30 DGEERO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(C#N)o1 ZINC000184536659 432403431 /nfs/dbraw/zinc/40/34/31/432403431.db2.gz VVKSIHDHRBMDHY-IBGZPJMESA-N 1 0 311.429 3.397 10 30 DGEERO CCOc1cc(C)ccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000153434310 432408252 /nfs/dbraw/zinc/40/82/52/432408252.db2.gz WRRJFOWQVGLCII-UHFFFAOYSA-N 1 0 320.396 3.203 10 30 DGEERO COc1ccccc1N1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192785003 432414214 /nfs/dbraw/zinc/41/42/14/432414214.db2.gz ZEERRYVLPSOVIW-WBVHZDCISA-N 1 0 313.445 3.336 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000176301390 432508847 /nfs/dbraw/zinc/50/88/47/432508847.db2.gz BRCWNKPABXHFCV-UHFFFAOYSA-N 1 0 322.399 3.054 10 30 DGEERO CC#CCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958446 432549366 /nfs/dbraw/zinc/54/93/66/432549366.db2.gz MJVBFJBLMQYOEL-SJLPKXTDSA-N 1 0 318.848 3.395 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194235535 432535414 /nfs/dbraw/zinc/53/54/14/432535414.db2.gz KPRJIRHARLSSJL-UHFFFAOYSA-N 1 0 312.417 3.330 10 30 DGEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177372725 432617393 /nfs/dbraw/zinc/61/73/93/432617393.db2.gz ULFJKPDFUMEDCL-SFHVURJKSA-N 1 0 313.832 3.361 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000273459748 432600891 /nfs/dbraw/zinc/60/08/91/432600891.db2.gz QGCAJLNNXOUVOS-AAEUAGOBSA-N 1 0 303.324 3.215 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000186703772 432624296 /nfs/dbraw/zinc/62/42/96/432624296.db2.gz CENQUQXTHZCYQN-GHMZBOCLSA-N 1 0 314.223 3.045 10 30 DGEERO CCOCC[N@@H+]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1CC ZINC000187682406 432677036 /nfs/dbraw/zinc/67/70/36/432677036.db2.gz IMOYDXHVQMQJGL-LPHOPBHVSA-N 1 0 315.461 3.052 10 30 DGEERO C=CCC[C@H](C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000189371191 432782574 /nfs/dbraw/zinc/78/25/74/432782574.db2.gz JNOMMPJRTINTBD-SFHVURJKSA-N 1 0 300.446 3.289 10 30 DGEERO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000245439397 432830484 /nfs/dbraw/zinc/83/04/84/432830484.db2.gz FUNIBACSDAICIN-YRGRVCCFSA-N 1 0 303.431 3.211 10 30 DGEERO CC(C)Cc1ncc(C[NH2+]CCOc2ccc(C#N)cc2)s1 ZINC000162683999 432830614 /nfs/dbraw/zinc/83/06/14/432830614.db2.gz AOAAPYRORFWELF-UHFFFAOYSA-N 1 0 315.442 3.382 10 30 DGEERO CSCc1cccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000189478627 432788834 /nfs/dbraw/zinc/78/88/34/432788834.db2.gz LMNWCMLZHGOLEV-UHFFFAOYSA-N 1 0 322.437 3.359 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000245808265 432864255 /nfs/dbraw/zinc/86/42/55/432864255.db2.gz YYHHSDAXIXILPA-KSSFIOAISA-N 1 0 310.401 3.048 10 30 DGEERO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2C)[NH+](C)C)cc1 ZINC000163375379 432851442 /nfs/dbraw/zinc/85/14/42/432851442.db2.gz BGSQYFNURFLWNQ-LJQANCHMSA-N 1 0 321.424 3.208 10 30 DGEERO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000330235243 432898400 /nfs/dbraw/zinc/89/84/00/432898400.db2.gz TUUAUIYWCPUBTH-HZUKXOBISA-N 1 0 306.381 3.268 10 30 DGEERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000330251644 432899409 /nfs/dbraw/zinc/89/94/09/432899409.db2.gz HUZDEOUXYNMGSG-QEORTHHSSA-N 1 0 318.417 3.137 10 30 DGEERO O=C(NC1CC1)[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc(F)cc1 ZINC000330256730 432900509 /nfs/dbraw/zinc/90/05/09/432900509.db2.gz KWALJHREGDMSSZ-ZACQAIPSSA-N 1 0 318.392 3.143 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000330272737 432902430 /nfs/dbraw/zinc/90/24/30/432902430.db2.gz YBNJWRDYMGCSLI-LNHVQRHZSA-N 1 0 310.344 3.098 10 30 DGEERO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330300485 432903880 /nfs/dbraw/zinc/90/38/80/432903880.db2.gz NFIQCYYYZXJDPN-XIRDDKMYSA-N 1 0 308.466 3.291 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000349826784 433017160 /nfs/dbraw/zinc/01/71/60/433017160.db2.gz AHOMDEYKFZECRN-IAQYHMDHSA-N 1 0 310.235 3.353 10 30 DGEERO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000373068941 433085075 /nfs/dbraw/zinc/08/50/75/433085075.db2.gz HMVPMAAGEXTSDY-UHFFFAOYSA-N 1 0 319.493 3.431 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(COC)CCC1 ZINC000361289217 433086502 /nfs/dbraw/zinc/08/65/02/433086502.db2.gz PREFOMBOZKDFRJ-UHFFFAOYSA-N 1 0 304.390 3.400 10 30 DGEERO C=CCC[C@H](CO)[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453352107 433113643 /nfs/dbraw/zinc/11/36/43/433113643.db2.gz KVXXRYHFZADFAR-QAPCUYQASA-N 1 0 311.429 3.166 10 30 DGEERO C=CCC[C@H](CO)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453355469 433117448 /nfs/dbraw/zinc/11/74/48/433117448.db2.gz MHPOHUBBICXNDU-DOMZBBRYSA-N 1 0 314.351 3.395 10 30 DGEERO C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374552858 433220698 /nfs/dbraw/zinc/22/06/98/433220698.db2.gz SJEJSYVQSPJROM-MRXNPFEDSA-N 1 0 304.434 3.468 10 30 DGEERO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(C#N)cc1F ZINC000447600484 433245896 /nfs/dbraw/zinc/24/58/96/433245896.db2.gz MGWNNLHOUNUMFY-XJKSGUPXSA-N 1 0 301.409 3.365 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC000425601707 433317392 /nfs/dbraw/zinc/31/73/92/433317392.db2.gz GUWDNWAQJICMMA-WBVHZDCISA-N 1 0 300.446 3.498 10 30 DGEERO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000338810134 433323742 /nfs/dbraw/zinc/32/37/42/433323742.db2.gz YBUFUHWCFAGHDX-HOTGVXAUSA-N 1 0 317.481 3.042 10 30 DGEERO C=CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000448247366 433377664 /nfs/dbraw/zinc/37/76/64/433377664.db2.gz DOYHQUPWCLCBKV-UHFFFAOYSA-N 1 0 315.461 3.259 10 30 DGEERO C=CCCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000448031747 433353529 /nfs/dbraw/zinc/35/35/29/433353529.db2.gz RVJATJHLMSUIHN-IRXDYDNUSA-N 1 0 315.461 3.257 10 30 DGEERO C=CC[C@@H](CC)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000281739746 433366234 /nfs/dbraw/zinc/36/62/34/433366234.db2.gz DJIOUHSVPGWKIL-OAHLLOKOSA-N 1 0 307.413 3.041 10 30 DGEERO C=CCSc1ccccc1NC(=O)CN1CCOCC[C@@H]1C ZINC000374990863 433326544 /nfs/dbraw/zinc/32/65/44/433326544.db2.gz VQVSRZSJTYGBHH-AWEZNQCLSA-N 1 0 320.458 3.014 10 30 DGEERO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000299130705 433327762 /nfs/dbraw/zinc/32/77/62/433327762.db2.gz DJBNLYKZFXKGHS-AWEZNQCLSA-N 1 0 318.848 3.205 10 30 DGEERO C=CCCCNC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000447972360 433339123 /nfs/dbraw/zinc/33/91/23/433339123.db2.gz QFPWLBFCCDVVJH-OAHLLOKOSA-N 1 0 309.479 3.396 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNCc1nn(C)c(C)c1Cl)C(C)C ZINC000421335870 433484386 /nfs/dbraw/zinc/48/43/86/433484386.db2.gz UVVWNJPBXPMLLJ-MRXNPFEDSA-N 1 0 324.900 3.170 10 30 DGEERO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C ZINC000283355958 433710029 /nfs/dbraw/zinc/71/00/29/433710029.db2.gz MUDDAKPQBDIMHS-KBPBESRZSA-N 1 0 317.433 3.464 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000376672858 433797696 /nfs/dbraw/zinc/79/76/96/433797696.db2.gz OZWZHVYPBIDTMH-HNAYVOBHSA-N 1 0 324.428 3.438 10 30 DGEERO C=CCc1cc(CNCC2([NH3+])CCCCCC2)cc(OC)c1O ZINC000414861625 433891596 /nfs/dbraw/zinc/89/15/96/433891596.db2.gz SITAAQGQVPXYLE-UHFFFAOYSA-N 1 0 318.461 3.271 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457063895 433962935 /nfs/dbraw/zinc/96/29/35/433962935.db2.gz FOLSSTUCYSQGKX-ZDUSSCGKSA-N 1 0 320.399 3.464 10 30 DGEERO N#Cc1ccc(C[NH+]2CCC(COc3ccccn3)CC2)cc1 ZINC000363300143 434018545 /nfs/dbraw/zinc/01/85/45/434018545.db2.gz YNZCTVJVABHQKK-UHFFFAOYSA-N 1 0 307.397 3.244 10 30 DGEERO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000305059915 434028677 /nfs/dbraw/zinc/02/86/77/434028677.db2.gz GGAHPCBESOPSCJ-WMLDXEAASA-N 1 0 305.418 3.168 10 30 DGEERO N#CC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000363476110 434066496 /nfs/dbraw/zinc/06/64/96/434066496.db2.gz SHGMEIAXLJBXIR-KRWDZBQOSA-N 1 0 317.477 3.185 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCOC2(C)C)ccc1OC ZINC000294706899 434128394 /nfs/dbraw/zinc/12/83/94/434128394.db2.gz DLBKIBIYZUCPOU-QGZVFWFLSA-N 1 0 305.418 3.307 10 30 DGEERO C=CCC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccco1 ZINC000364970336 434284040 /nfs/dbraw/zinc/28/40/40/434284040.db2.gz KOTMQBTXKIMGGW-WBVHZDCISA-N 1 0 314.433 3.279 10 30 DGEERO C=CCC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccco1 ZINC000364970334 434284202 /nfs/dbraw/zinc/28/42/02/434284202.db2.gz KOTMQBTXKIMGGW-NVXWUHKLSA-N 1 0 314.433 3.279 10 30 DGEERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1CCCCNC1=O ZINC000328754610 434305559 /nfs/dbraw/zinc/30/55/59/434305559.db2.gz DURMRGIBARJIKX-QLFBSQMISA-N 1 0 309.454 3.210 10 30 DGEERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]1CCCCNC1=O ZINC000328755628 434311077 /nfs/dbraw/zinc/31/10/77/434311077.db2.gz FIXYYNVYKOEUBB-FZKCQIBNSA-N 1 0 323.481 3.456 10 30 DGEERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328795495 434312525 /nfs/dbraw/zinc/31/25/25/434312525.db2.gz UCXBSZHJKULSLP-CABCVRRESA-N 1 0 309.454 3.210 10 30 DGEERO CC(=O)N[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCC1 ZINC000329623714 434443414 /nfs/dbraw/zinc/44/34/14/434443414.db2.gz NVLLTMQLDMZFAN-HMQMGEFJSA-N 1 0 321.465 3.493 10 30 DGEERO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358567096 434399530 /nfs/dbraw/zinc/39/95/30/434399530.db2.gz JFCNZTRDDVYUKH-CHWSQXEVSA-N 1 0 300.381 3.189 10 30 DGEERO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(C#N)cc1F ZINC000358580437 434400205 /nfs/dbraw/zinc/40/02/05/434400205.db2.gz XVHDNNIHLIJDOE-UKRRQHHQSA-N 1 0 318.392 3.076 10 30 DGEERO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358567100 434400313 /nfs/dbraw/zinc/40/03/13/434400313.db2.gz JFCNZTRDDVYUKH-STQMWFEESA-N 1 0 300.381 3.189 10 30 DGEERO C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000359252371 434413954 /nfs/dbraw/zinc/41/39/54/434413954.db2.gz LGCCZXVVCKZGOA-OAGGEKHMSA-N 1 0 317.481 3.041 10 30 DGEERO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000408148051 434544469 /nfs/dbraw/zinc/54/44/69/434544469.db2.gz KERKPBVLMXOBFN-KGLIPLIRSA-N 1 0 314.433 3.044 10 30 DGEERO C=CCOc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2CC)cc1 ZINC000423975296 434595323 /nfs/dbraw/zinc/59/53/23/434595323.db2.gz LSVWYCMFXOPEJW-IBGZPJMESA-N 1 0 324.424 3.244 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)ccc1F ZINC000424172392 434643520 /nfs/dbraw/zinc/64/35/20/434643520.db2.gz MBDHVEIYKZJWQM-HZMBPMFUSA-N 1 0 314.198 3.269 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(F)c1Br ZINC000424171136 434644871 /nfs/dbraw/zinc/64/48/71/434644871.db2.gz LITISNNJMWJJNJ-GWCFXTLKSA-N 1 0 314.198 3.269 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000424174385 434647036 /nfs/dbraw/zinc/64/70/36/434647036.db2.gz OFJZRDXUVMQIRP-ZFWWWQNUSA-N 1 0 315.335 3.308 10 30 DGEERO C=CCCC[C@@H](C)[NH2+][C@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000361085686 434793777 /nfs/dbraw/zinc/79/37/77/434793777.db2.gz FQRVJOYHKMLUBW-CZUORRHYSA-N 1 0 310.463 3.120 10 30 DGEERO C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000372384865 434820491 /nfs/dbraw/zinc/82/04/91/434820491.db2.gz MZVKIOHDLLCADO-CVEARBPZSA-N 1 0 306.450 3.121 10 30 DGEERO Cc1cc(C#N)nc(NC(C)(C)CC[NH+]2CCCCCC2)n1 ZINC000553541097 434894127 /nfs/dbraw/zinc/89/41/27/434894127.db2.gz QNVQUTNSCYHEIS-UHFFFAOYSA-N 1 0 301.438 3.113 10 30 DGEERO C=CCCCCC[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000574100233 434951561 /nfs/dbraw/zinc/95/15/61/434951561.db2.gz OCCYLLOMIQRXKQ-QGZVFWFLSA-N 1 0 322.474 3.047 10 30 DGEERO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743949 435027837 /nfs/dbraw/zinc/02/78/37/435027837.db2.gz IJGMXWWAFYDYKP-DLBZAZTESA-N 1 0 316.420 3.181 10 30 DGEERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C12CCCC2 ZINC000574681675 434996110 /nfs/dbraw/zinc/99/61/10/434996110.db2.gz XKTWBDKDAWBMTM-MSOLQXFVSA-N 1 0 314.429 3.394 10 30 DGEERO C=CCc1cc(C[NH+]2CC(Cc3ccco3)C2)cc(OC)c1O ZINC000529649301 435038203 /nfs/dbraw/zinc/03/82/03/435038203.db2.gz QRZVJNNQNGNKNF-UHFFFAOYSA-N 1 0 313.397 3.397 10 30 DGEERO C=CCCN(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000466765090 435093456 /nfs/dbraw/zinc/09/34/56/435093456.db2.gz FAVCWKUGFNZULY-LJQANCHMSA-N 1 0 315.461 3.259 10 30 DGEERO C=CCOCC[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000559154799 435122875 /nfs/dbraw/zinc/12/28/75/435122875.db2.gz GGMATLSKQCTPKY-JYJNAYRXSA-N 1 0 309.450 3.164 10 30 DGEERO C=C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000565040863 435274984 /nfs/dbraw/zinc/27/49/84/435274984.db2.gz PWXMRTWHGZBNTI-JXFKEZNVSA-N 1 0 320.436 3.431 10 30 DGEERO C=CC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000536742410 435409227 /nfs/dbraw/zinc/40/92/27/435409227.db2.gz KHKAZPZBLCARKJ-GFCCVEGCSA-N 1 0 316.228 3.384 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC1(C)C)C(C)C ZINC000480650383 435387586 /nfs/dbraw/zinc/38/75/86/435387586.db2.gz RQRQPFCIBPDVCJ-MRXNPFEDSA-N 1 0 307.482 3.269 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000537693329 435462848 /nfs/dbraw/zinc/46/28/48/435462848.db2.gz URAVPXLPHXPERO-MSOLQXFVSA-N 1 0 301.430 3.500 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CCC(C)C ZINC000482689978 435478632 /nfs/dbraw/zinc/47/86/32/435478632.db2.gz NZMKKDGWWRLICJ-KRWDZBQOSA-N 1 0 306.406 3.380 10 30 DGEERO C=C(C)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000483591235 435524902 /nfs/dbraw/zinc/52/49/02/435524902.db2.gz ITBDXXFYUBLVAN-UHFFFAOYSA-N 1 0 309.251 3.143 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000539850481 435576812 /nfs/dbraw/zinc/57/68/12/435576812.db2.gz OHMMPURTCRIHTL-SFHVURJKSA-N 1 0 314.473 3.415 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000519301573 435677409 /nfs/dbraw/zinc/67/74/09/435677409.db2.gz LOFREVMODZPNFK-IAGOWNOFSA-N 1 0 307.482 3.151 10 30 DGEERO C=CCNC(=O)C[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000571318855 435696198 /nfs/dbraw/zinc/69/61/98/435696198.db2.gz KOBRBEKKPAQKBI-XYOKQWHBSA-N 1 0 312.335 3.001 10 30 DGEERO N#Cc1cnccc1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000548480269 435696233 /nfs/dbraw/zinc/69/62/33/435696233.db2.gz UVRWQRDSEQCTAX-UHFFFAOYSA-N 1 0 320.440 3.363 10 30 DGEERO CCS[C@H]1CCC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000176983582 312777819 /nfs/dbraw/zinc/77/78/19/312777819.db2.gz CIMTYCQKUHJQIU-HOCLYGCPSA-N 1 0 314.458 3.360 10 30 DGEERO CSCCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181776322 323268814 /nfs/dbraw/zinc/26/88/14/323268814.db2.gz IEXXQSLYTIBTIR-UHFFFAOYSA-N 1 0 317.502 3.255 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sccc1F)C(C)C ZINC000559794067 332281789 /nfs/dbraw/zinc/28/17/89/332281789.db2.gz LFLGDBKFUQJOJW-AWEZNQCLSA-N 1 0 310.438 3.316 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000151403505 332576451 /nfs/dbraw/zinc/57/64/51/332576451.db2.gz JGKILIVLWCAVCK-FUHWJXTLSA-N 1 0 319.470 3.396 10 30 DGEERO CC[NH+]1CCN(c2ccccc2N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185732722 333212854 /nfs/dbraw/zinc/21/28/54/333212854.db2.gz IMSXDYPJGHFJCP-IAGOWNOFSA-N 1 0 312.461 3.323 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000185053393 337201544 /nfs/dbraw/zinc/20/15/44/337201544.db2.gz QRAAFUGAUUFRGC-WMZOPIPTSA-N 1 0 300.446 3.370 10 30 DGEERO C=CC[C@H](Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000583071474 337235674 /nfs/dbraw/zinc/23/56/74/337235674.db2.gz TZQSFGCMSVGDMD-GOSISDBHSA-N 1 0 323.440 3.212 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC000527701804 337757563 /nfs/dbraw/zinc/75/75/63/337757563.db2.gz AMWJCBBEGCLMAG-UGSOOPFHSA-N 1 0 323.408 3.304 10 30 DGEERO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784818 337809936 /nfs/dbraw/zinc/80/99/36/337809936.db2.gz XZUATLFVBIFMDR-RBSFLKMASA-N 1 0 309.454 3.304 10 30 DGEERO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CCc2ccccc2)C1=O ZINC000499594410 340040161 /nfs/dbraw/zinc/04/01/61/340040161.db2.gz SVYYRSWQXATZSL-OALUTQOASA-N 1 0 312.457 3.261 10 30 DGEERO C=CCSCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400707324 340151416 /nfs/dbraw/zinc/15/14/16/340151416.db2.gz LHLLAFVAYCLDRD-ZIAGYGMSSA-N 1 0 314.495 3.141 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)c2ccc(F)c(CSC)c2)CC1 ZINC000174200397 340383941 /nfs/dbraw/zinc/38/39/41/340383941.db2.gz PCMQSMCZCIXIAK-UHFFFAOYSA-N 1 0 322.449 3.069 10 30 DGEERO C=CCCC[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862525 341186620 /nfs/dbraw/zinc/18/66/20/341186620.db2.gz UKWSTWQLXIUWON-CYBMUJFWSA-N 1 0 306.372 3.075 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000076735499 341213259 /nfs/dbraw/zinc/21/32/59/341213259.db2.gz ZPGIKOJMJCWEJF-UHFFFAOYSA-N 1 0 315.461 3.432 10 30 DGEERO C=CCCCCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000574288701 341754398 /nfs/dbraw/zinc/75/43/98/341754398.db2.gz RGPFPWBVWSVBBK-UHFFFAOYSA-N 1 0 315.461 3.469 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OCC#N)cc1 ZINC000181565742 533917522 /nfs/dbraw/zinc/91/75/22/533917522.db2.gz BXCXAFAWQQZDDT-ZDUSSCGKSA-N 1 0 314.360 3.071 10 30 DGEERO COc1ccc(NC(=[NH2+])N[C@@H]2CCC23CCCC3)cc1OC ZINC000263236688 533992739 /nfs/dbraw/zinc/99/27/39/533992739.db2.gz DYBKYLVYYGNHFP-OAHLLOKOSA-N 1 0 303.406 3.153 10 30 DGEERO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000156677011 521362061 /nfs/dbraw/zinc/36/20/61/521362061.db2.gz KYFUJOHUXOTOFS-ZDUSSCGKSA-N 1 0 305.447 3.459 10 30 DGEERO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000158411001 522043284 /nfs/dbraw/zinc/04/32/84/522043284.db2.gz MWZKSEKGDVXCJH-HNNXBMFYSA-N 1 0 312.369 3.376 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c(F)cccc1Br ZINC000451611444 534609108 /nfs/dbraw/zinc/60/91/08/534609108.db2.gz WQVGNLBBDVOTFA-OLZOCXBDSA-N 1 0 300.171 3.021 10 30 DGEERO C=CCCCNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458719460 534728007 /nfs/dbraw/zinc/72/80/07/534728007.db2.gz ILGDWXSIIFVSBV-MRXNPFEDSA-N 1 0 321.490 3.277 10 30 DGEERO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000318446087 534784585 /nfs/dbraw/zinc/78/45/85/534784585.db2.gz OWZQPKJOGIRRQU-JQHSSLGASA-N 1 0 302.393 3.213 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000449460891 534882284 /nfs/dbraw/zinc/88/22/84/534882284.db2.gz ODWZHPKGELNLBJ-QRVBRYPASA-N 1 0 301.430 3.377 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1OC ZINC000449681300 534883360 /nfs/dbraw/zinc/88/33/60/534883360.db2.gz DNQUKZVSXZJBMG-IBGZPJMESA-N 1 0 317.429 3.263 10 30 DGEERO C=CCN(CCc1ccco1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000355822570 526317987 /nfs/dbraw/zinc/31/79/87/526317987.db2.gz UYEFRSGNAKYADJ-MRXNPFEDSA-N 1 0 304.434 3.101 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352691733 526349526 /nfs/dbraw/zinc/34/95/26/526349526.db2.gz NDXZSUOLZPZXQE-GOEBONIOSA-N 1 0 304.390 3.398 10 30 DGEERO C[NH+]=C(NCc1nc(C)cs1)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000157255789 526390411 /nfs/dbraw/zinc/39/04/11/526390411.db2.gz YVELEUPHYMTZLD-LBPRGKRZSA-N 1 0 320.437 3.325 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000341483289 526705516 /nfs/dbraw/zinc/70/55/16/526705516.db2.gz KBDYQNXKSCBCAO-WMZOPIPTSA-N 1 0 300.446 3.322 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000185396452 526712033 /nfs/dbraw/zinc/71/20/33/526712033.db2.gz ITFJLQKQOLKZDU-GOEBONIOSA-N 1 0 304.434 3.443 10 30 DGEERO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000338810142 526733977 /nfs/dbraw/zinc/73/39/77/526733977.db2.gz YBUFUHWCFAGHDX-JKSUJKDBSA-N 1 0 317.481 3.042 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000348047842 526761588 /nfs/dbraw/zinc/76/15/88/526761588.db2.gz GAWPVFHYIIRRGJ-HKUYNNGSSA-N 1 0 302.462 3.079 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000435736573 526783570 /nfs/dbraw/zinc/78/35/70/526783570.db2.gz XZZIQJIAQVZFSA-MJGOQNOKSA-N 1 0 311.429 3.002 10 30 DGEERO C=CCOc1ccc(C[N@@H+](CCO)Cc2ccc(C)o2)cc1 ZINC000355663813 526863364 /nfs/dbraw/zinc/86/33/64/526863364.db2.gz UHLKRSVONKVTJC-UHFFFAOYSA-N 1 0 301.386 3.147 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)NC)cc1 ZINC000348839810 526865376 /nfs/dbraw/zinc/86/53/76/526865376.db2.gz YFAIJFDKNNXHLC-KRWDZBQOSA-N 1 0 316.445 3.132 10 30 DGEERO C=CCOc1cccc(NC(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000056624052 526915660 /nfs/dbraw/zinc/91/56/60/526915660.db2.gz LRHIEASSPKZEQD-AWEZNQCLSA-N 1 0 305.422 3.103 10 30 DGEERO C=CCOc1ccccc1CNC1CC([NH+]2CCCCC2)C1 ZINC000355582915 526948896 /nfs/dbraw/zinc/94/88/96/526948896.db2.gz MDZIQMGNMLLORQ-UHFFFAOYSA-N 1 0 300.446 3.358 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000343513478 527102152 /nfs/dbraw/zinc/10/21/52/527102152.db2.gz WDCGYVXCJCJJDZ-UONOGXRCSA-N 1 0 310.235 3.271 10 30 DGEERO C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358972676 527189260 /nfs/dbraw/zinc/18/92/60/527189260.db2.gz WUTGTBIDBZIRQT-MAUKXSAKSA-N 1 0 311.429 3.024 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184282795 527208959 /nfs/dbraw/zinc/20/89/59/527208959.db2.gz YROPVCDNEIWKKQ-CYBMUJFWSA-N 1 0 318.398 3.350 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000351574786 527209260 /nfs/dbraw/zinc/20/92/60/527209260.db2.gz PRQJVERAHSIDFQ-LJQANCHMSA-N 1 0 322.408 3.164 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H](CO)c2ccsc2)cc(OC)c1O ZINC000349702879 527243316 /nfs/dbraw/zinc/24/33/16/527243316.db2.gz NPBCPPABOSNDBO-HNNXBMFYSA-N 1 0 319.426 3.014 10 30 DGEERO C=CCCOCCCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000342837103 527330658 /nfs/dbraw/zinc/33/06/58/527330658.db2.gz WEODLIWHZINXCO-GOSISDBHSA-N 1 0 322.493 3.226 10 30 DGEERO C=CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccoc1C ZINC000358864403 527339759 /nfs/dbraw/zinc/33/97/59/527339759.db2.gz URKGVQIQZDXSNE-LLVKDONJSA-N 1 0 306.435 3.075 10 30 DGEERO C=CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000351078901 527355714 /nfs/dbraw/zinc/35/57/14/527355714.db2.gz ZKRAFKCNQIGFTO-OAGGEKHMSA-N 1 0 319.497 3.144 10 30 DGEERO C=CCCO[C@H](C)C(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000345904069 527388962 /nfs/dbraw/zinc/38/89/62/527388962.db2.gz JVNAMDQEKKGNSI-QGZVFWFLSA-N 1 0 310.482 3.081 10 30 DGEERO CC(C)(C#N)CCC[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000174859108 527462758 /nfs/dbraw/zinc/46/27/58/527462758.db2.gz XZYSFSJSLPBXGL-UHFFFAOYSA-N 1 0 319.474 3.226 10 30 DGEERO C=CCC[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccco1 ZINC000353634506 527484050 /nfs/dbraw/zinc/48/40/50/527484050.db2.gz WFGSBAWCUWTMDX-HNNXBMFYSA-N 1 0 311.447 3.091 10 30 DGEERO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](OCC)[C@H]1n1cccn1)c1ccco1 ZINC000340532576 527488302 /nfs/dbraw/zinc/48/83/02/527488302.db2.gz KUBBHZWSGAQZAX-IDCNUPLLSA-N 1 0 315.417 3.492 10 30 DGEERO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=[NH2+])Nc1ccccn1 ZINC000262323203 527894958 /nfs/dbraw/zinc/89/49/58/527894958.db2.gz SEGHNZIEGHEQCX-LSDHHAIUSA-N 1 0 310.401 3.054 10 30 DGEERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000133782664 528265215 /nfs/dbraw/zinc/26/52/15/528265215.db2.gz WEGILGUEZYVXQS-WBVHZDCISA-N 1 0 316.449 3.061 10 30 DGEERO CC[N@@H+]1CCC[C@H](Nc2cccc(Br)c2C#N)C1 ZINC000168495242 529091938 /nfs/dbraw/zinc/09/19/38/529091938.db2.gz KYRGRUVHIZDSQR-NSHDSACASA-N 1 0 308.223 3.217 10 30 DGEERO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000181731327 546160469 /nfs/dbraw/zinc/16/04/69/546160469.db2.gz ZVDGSNCEXXTREX-AWEZNQCLSA-N 1 0 311.356 3.299 10 30 DGEERO C=CC[N@H+](Cc1cccs1)C[C@H](O)COc1ccc(C)cc1 ZINC000248019212 546313557 /nfs/dbraw/zinc/31/35/57/546313557.db2.gz LSDVPVBDXIJRQV-INIZCTEOSA-N 1 0 317.454 3.484 10 30 DGEERO CC(C)Nc1ncccc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329622218 546488401 /nfs/dbraw/zinc/48/84/01/546488401.db2.gz HEMPHQLLFYGLQK-AWEZNQCLSA-N 1 0 316.449 3.223 10 30 DGEERO N#C[C@@H]1C[N@H+](Cn2ccc(=S)c3ccccc32)CCN1C1CC1 ZINC000732673043 574578363 /nfs/dbraw/zinc/57/83/63/574578363.db2.gz SUWHSKYHPKEROI-OAHLLOKOSA-N 1 0 324.453 3.000 10 30 DGEERO C#CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000733639449 574633358 /nfs/dbraw/zinc/63/33/58/574633358.db2.gz DHRDBDUFVMYCCW-INIZCTEOSA-N 1 0 321.852 3.045 10 30 DGEERO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCOC1 ZINC000735310063 574696893 /nfs/dbraw/zinc/69/68/93/574696893.db2.gz YXHKQSBBIDWJDB-CYBMUJFWSA-N 1 0 308.809 3.101 10 30 DGEERO C=CCCC(=O)OC[C@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000735902270 574721219 /nfs/dbraw/zinc/72/12/19/574721219.db2.gz DHKHRWYYYFAOHK-QAPCUYQASA-N 1 0 303.402 3.197 10 30 DGEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(C#N)cc1Br ZINC000214288868 574807281 /nfs/dbraw/zinc/80/72/81/574807281.db2.gz WDJRZKNJQIBBAW-CYBMUJFWSA-N 1 0 310.239 3.130 10 30 DGEERO C=CC[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)C(C)C ZINC000741777294 574969991 /nfs/dbraw/zinc/96/99/91/574969991.db2.gz LXKCDNAZWDIVEZ-UHFFFAOYSA-N 1 0 318.465 3.298 10 30 DGEERO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000300738021 617686329 /nfs/dbraw/zinc/68/63/29/617686329.db2.gz ALQLXWMTLTWVRY-JYJNAYRXSA-N 1 0 308.466 3.269 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H]2CCN(c3ccccc3)C2)c1 ZINC000104172562 617962494 /nfs/dbraw/zinc/96/24/94/617962494.db2.gz LCYRXVUBDCKTBV-MRXNPFEDSA-N 1 0 308.429 3.248 10 30 DGEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000119301591 618624323 /nfs/dbraw/zinc/62/43/23/618624323.db2.gz QIPRWKAPKFRGTF-CVEARBPZSA-N 1 0 306.409 3.142 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H]2CCN(c3ccccc3)C2)cc1 ZINC000113339105 620904810 /nfs/dbraw/zinc/90/48/10/620904810.db2.gz JZHHTAKXSFBBDW-SFHVURJKSA-N 1 0 306.409 3.067 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)c1cccc(F)c1 ZINC000121338881 621268304 /nfs/dbraw/zinc/26/83/04/621268304.db2.gz XKBUTYNFFAXBQD-HUUCEWRRSA-N 1 0 305.393 3.206 10 30 DGEERO Cc1ccn(-c2ccccc2CNC(=[NH2+])Nc2cccc(C)c2)n1 ZINC000128768753 625223663 /nfs/dbraw/zinc/22/36/63/625223663.db2.gz AWCUISUKZIPSNF-UHFFFAOYSA-N 1 0 319.412 3.416 10 30 DGEERO Cc1ccc(OC(F)F)c(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000134010042 626850597 /nfs/dbraw/zinc/85/05/97/626850597.db2.gz ZWKKENAUXXZGJD-UHFFFAOYSA-N 1 0 311.376 3.333 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000104155295 627410723 /nfs/dbraw/zinc/41/07/23/627410723.db2.gz VLPXKTGQXUFPHP-KRWDZBQOSA-N 1 0 314.408 3.164 10 30 DGEERO C[NH+]=C(NCc1scnc1C)N(C)Cc1ccc(Cl)cc1 ZINC000073761844 660552112 /nfs/dbraw/zinc/55/21/12/660552112.db2.gz VTMINMJKJGYTHF-UHFFFAOYSA-N 1 0 322.865 3.312 10 30 DGEERO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000702235450 660716919 /nfs/dbraw/zinc/71/69/19/660716919.db2.gz AECQCYOHFFLOFB-KKUMJFAQSA-N 1 0 308.466 3.269 10 30 DGEERO C[C@](O)(C[N@@H+]1CCCC(F)(F)CC1)C(F)(F)C(F)(F)F ZINC000724115938 655744160 /nfs/dbraw/zinc/74/41/60/655744160.db2.gz UOOBPYBQNACKDY-QMMMGPOBSA-N 1 0 311.241 3.056 10 30 DGEERO [NH2+]=C(NCCC1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262025863 655751225 /nfs/dbraw/zinc/75/12/25/655751225.db2.gz ZHVUXZCENCCEQN-UHFFFAOYSA-N 1 0 303.406 3.155 10 30 DGEERO CC[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1CCC[C@@H]1C#N ZINC000262330591 655814221 /nfs/dbraw/zinc/81/42/21/655814221.db2.gz AWZMDAARDXTIIL-GDBMZVCRSA-N 1 0 324.428 3.489 10 30 DGEERO N#C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716655243 661226202 /nfs/dbraw/zinc/22/62/02/661226202.db2.gz NYOMDYLVALLHMS-UHZRXMQZSA-N 1 0 309.457 3.321 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1ccc(Br)cc1Cl ZINC000716936227 661234313 /nfs/dbraw/zinc/23/43/13/661234313.db2.gz RYPKMRWDOLMADV-LBPRGKRZSA-N 1 0 316.626 3.230 10 30 DGEERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000299976587 656229468 /nfs/dbraw/zinc/22/94/68/656229468.db2.gz DKXFIJNXXGZKJW-KKUMJFAQSA-N 1 0 307.438 3.058 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCCC(F)(F)C1 ZINC000261816421 657112985 /nfs/dbraw/zinc/11/29/85/657112985.db2.gz NBEOZPNMUVGHIP-LLVKDONJSA-N 1 0 301.406 3.020 10 30 DGEERO [NH2+]=C(NCCCCOc1ccc(F)cc1)NC1CCCCC1 ZINC000303778021 657562725 /nfs/dbraw/zinc/56/27/25/657562725.db2.gz JGJLAQHHKYJQSJ-UHFFFAOYSA-N 1 0 307.413 3.222 10 30 DGEERO CCc1cccc(CC)c1NC(=[NH2+])NCCCCCC(=O)OC ZINC000303778354 657562745 /nfs/dbraw/zinc/56/27/45/657562745.db2.gz JOGJIGGINNDEPL-UHFFFAOYSA-N 1 0 319.449 3.271 10 30 DGEERO CC(C)COc1cccc(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000303871749 657567787 /nfs/dbraw/zinc/56/77/87/657567787.db2.gz GAVYQRUDWMQIBT-UHFFFAOYSA-N 1 0 303.450 3.458 10 30 DGEERO COc1ccc(OCCCNC(=[NH2+])Nc2cccc(C)c2)cc1 ZINC000303890923 657573039 /nfs/dbraw/zinc/57/30/39/657573039.db2.gz QHXLYIVDHSBCIT-UHFFFAOYSA-N 1 0 313.401 3.199 10 30 DGEERO CCCNC(=[NH2+])NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000303971329 657582391 /nfs/dbraw/zinc/58/23/91/657582391.db2.gz DJMDNUCWYDSQLM-UHFFFAOYSA-N 1 0 323.440 3.493 10 30 DGEERO [NH2+]=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000304743471 657645921 /nfs/dbraw/zinc/64/59/21/657645921.db2.gz DCCVYOHANNMXPZ-UHFFFAOYSA-N 1 0 323.362 3.294 10 30 DGEERO CC(C)(C)OC(=O)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304752573 657647717 /nfs/dbraw/zinc/64/77/17/657647717.db2.gz KJBPZNNNPQLPSH-UHFFFAOYSA-N 1 0 317.433 3.024 10 30 DGEERO COc1ccc(CCNC(=[NH2+])N2CCCCCC2)c(Cl)c1 ZINC000305040583 657667586 /nfs/dbraw/zinc/66/75/86/657667586.db2.gz CQBMZHXKOGRKPQ-UHFFFAOYSA-N 1 0 309.841 3.082 10 30 DGEERO [NH2+]=C(NCCc1cccs1)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000262659896 657886379 /nfs/dbraw/zinc/88/63/79/657886379.db2.gz XFGKMYJOSMXQEL-CTYIDZIISA-N 1 0 317.433 3.280 10 30 DGEERO CC(C)Oc1ccc(NC(=[NH2+])N[C@@H]2COc3ccccc32)cc1 ZINC000262669497 657909872 /nfs/dbraw/zinc/90/98/72/657909872.db2.gz OSDVZLMZYGIQPP-MRXNPFEDSA-N 1 0 311.385 3.334 10 30 DGEERO [NH2+]=C(NCC1(C2CCC2)CCC1)N[C@@H]1CCOc2ccccc21 ZINC000263111111 658140632 /nfs/dbraw/zinc/14/06/32/658140632.db2.gz LAYICLJQBOTNRM-MRXNPFEDSA-N 1 0 313.445 3.385 10 30 DGEERO CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CC12CCSCC2 ZINC000263167892 658164118 /nfs/dbraw/zinc/16/41/18/658164118.db2.gz RNSGNNCFCFAJEC-MRXNPFEDSA-N 1 0 317.502 3.227 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000169147790 659159388 /nfs/dbraw/zinc/15/93/88/659159388.db2.gz YUCYHLFDLMMMPF-HNAYVOBHSA-N 1 0 307.393 3.353 10 30 DGEERO C#CCC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000230035430 659296223 /nfs/dbraw/zinc/29/62/23/659296223.db2.gz RLESDKLHVLXAMA-UHFFFAOYSA-N 1 0 300.402 3.097 10 30 DGEERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000183475497 660118402 /nfs/dbraw/zinc/11/84/02/660118402.db2.gz RVDDENHJHMCLBH-UHFFFAOYSA-N 1 0 311.341 3.095 10 30 DGEERO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000088726961 662233879 /nfs/dbraw/zinc/23/38/79/662233879.db2.gz FWOUREALCBAIKV-RXVVDRJESA-N 1 0 304.437 3.148 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c(O)c(OC)c1 ZINC000247143008 662302460 /nfs/dbraw/zinc/30/24/60/662302460.db2.gz XFAOGNTWANQAOQ-IAGOWNOFSA-N 1 0 317.429 3.273 10 30 DGEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248772434 662359211 /nfs/dbraw/zinc/35/92/11/662359211.db2.gz HKFMUTJXMBQNNI-QXSJWSMHSA-N 1 0 321.465 3.352 10 30 DGEERO C#CC[C@@H](COC)[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000716949195 685275944 /nfs/dbraw/zinc/27/59/44/685275944.db2.gz SJQFYTOWHBJPGF-DOMZBBRYSA-N 1 0 310.235 3.008 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000227681761 685118712 /nfs/dbraw/zinc/11/87/12/685118712.db2.gz OHTZEYSEPDSIKS-AWEZNQCLSA-N 1 0 320.433 3.254 10 30 DGEERO C=CCSCC[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000226228049 1176574296 /nfs/dbraw/zinc/57/42/96/1176574296.db2.gz UTBTWMXDIPVMDA-UHFFFAOYSA-N 1 0 313.488 3.435 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@H](O)c2ccsc2)cc(OC)c1O ZINC000304306452 1199646114 /nfs/dbraw/zinc/64/61/14/1199646114.db2.gz POSXVZUPDSDNJD-HNNXBMFYSA-N 1 0 319.426 3.014 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CC)[C@H]2CCCO2)cc1OC ZINC000119798976 1200119248 /nfs/dbraw/zinc/11/92/48/1200119248.db2.gz HINWVKZXOVNBOE-HZPDHXFCSA-N 1 0 305.418 3.307 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000120636806 1200163391 /nfs/dbraw/zinc/16/33/91/1200163391.db2.gz AXFQYCXMVXIEOC-QGZVFWFLSA-N 1 0 309.413 3.015 10 30 DGEERO C[N@@H+]1CCCC[C@H]1CNc1cc(Br)ccc1C#N ZINC000123211105 1200275791 /nfs/dbraw/zinc/27/57/91/1200275791.db2.gz LGVRFAHTKKLFOM-ZDUSSCGKSA-N 1 0 308.223 3.217 10 30 DGEERO N#Cc1cc(Br)ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000229249281 1202482816 /nfs/dbraw/zinc/48/28/16/1202482816.db2.gz IECVOHRFSMDYFA-LLVKDONJSA-N 1 0 308.223 3.122 10 30 DGEERO C[C@@H](Cc1ccsc1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156633946 1202601000 /nfs/dbraw/zinc/60/10/00/1202601000.db2.gz RVWICCHRAKLVOK-GUYCJALGSA-N 1 0 300.427 3.216 10 30 DGEERO C=CCN1CCC([NH2+]Cc2cccc(OC)c2OC(C)C)CC1 ZINC000237187911 1202655172 /nfs/dbraw/zinc/65/51/72/1202655172.db2.gz QIRCEGQVIYEUNB-UHFFFAOYSA-N 1 0 318.461 3.222 10 30 DGEERO CC#CCCCC(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000185052163 1202838589 /nfs/dbraw/zinc/83/85/89/1202838589.db2.gz QMMOPLKJBQJIBM-IBGZPJMESA-N 1 0 314.473 3.249 10 30 DGEERO CC(C)N(Cc1ccccc1)C(=O)C[N+](C)(C)C1CCCC1 ZINC000073713009 717134788 /nfs/dbraw/zinc/13/47/88/717134788.db2.gz PCBFLPIJVWMSGQ-UHFFFAOYSA-N 1 0 303.470 3.443 10 30 DGEERO C=C(CC)C[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000313484125 1095014407 /nfs/dbraw/zinc/01/44/07/1095014407.db2.gz OWSHJYRCAZSGGL-UHFFFAOYSA-N 1 0 312.207 3.292 10 30 DGEERO C=CCC[C@H]([NH2+]Cc1c(C)nn(CCO)c1C)c1ccccc1 ZINC000158848858 1100828682 /nfs/dbraw/zinc/82/86/82/1100828682.db2.gz RYSXANVVWVDHOI-IBGZPJMESA-N 1 0 313.445 3.289 10 30 DGEERO CCc1cc[n+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000160078498 529573499 /nfs/dbraw/zinc/57/34/99/529573499.db2.gz FTZJEGCRNHFIRR-INIZCTEOSA-N 1 0 319.787 3.307 10 30 DGEERO CCc1cc[n+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000182241278 529573538 /nfs/dbraw/zinc/57/35/38/529573538.db2.gz DTMGDAMSBFQKTO-INIZCTEOSA-N 1 0 319.787 3.307 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000090107666 185282694 /nfs/dbraw/zinc/28/26/94/185282694.db2.gz RDLZFPRPMDMPLJ-ZDUSSCGKSA-N 1 0 310.353 3.017 10 30 DGEERO CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(C#N)o3)C2)CC1 ZINC000092587704 185327378 /nfs/dbraw/zinc/32/73/78/185327378.db2.gz XTMYQTOZPNUFQO-MRXNPFEDSA-N 1 0 301.434 3.095 10 30 DGEERO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000181890732 199364510 /nfs/dbraw/zinc/36/45/10/199364510.db2.gz ZPMGEBGMJWNNNW-CRAIPNDOSA-N 1 0 321.424 3.496 10 30 DGEERO C=CCCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279627061 215017134 /nfs/dbraw/zinc/01/71/34/215017134.db2.gz UGQPRORPPRJFHM-UHFFFAOYSA-N 1 0 301.434 3.048 10 30 DGEERO N#Cc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000174296699 198316589 /nfs/dbraw/zinc/31/65/89/198316589.db2.gz YUHAHZUPTMYOQC-GOSISDBHSA-N 1 0 310.353 3.163 10 30 DGEERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000164714994 432051147 /nfs/dbraw/zinc/05/11/47/432051147.db2.gz OTEJHHABEZHKNI-NHYWBVRUSA-N 1 0 320.824 3.062 10 30 DGEERO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCc2ccccc21 ZINC000179906768 432073977 /nfs/dbraw/zinc/07/39/77/432073977.db2.gz FGPRTFURLKQIAO-GOSISDBHSA-N 1 0 302.381 3.325 10 30 DGEERO C=C(C)COc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2CC)ccc1OC ZINC000449424478 240196141 /nfs/dbraw/zinc/19/61/41/240196141.db2.gz PDPWAYSPEHBYAY-DLBZAZTESA-N 1 0 319.445 3.243 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000449508747 240256338 /nfs/dbraw/zinc/25/63/38/240256338.db2.gz NNBADXDXRFLBGR-MOPGFXCFSA-N 1 0 301.430 3.138 10 30 DGEERO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)c(OC)c1 ZINC000093492347 284012409 /nfs/dbraw/zinc/01/24/09/284012409.db2.gz FKRGLEAHYSRGTM-NSHDSACASA-N 1 0 302.399 3.488 10 30 DGEERO CN(Cc1ccc(C#N)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336835 193233820 /nfs/dbraw/zinc/23/38/20/193233820.db2.gz CMIGESPBAGJBTC-QGZVFWFLSA-N 1 0 309.413 3.105 10 30 DGEERO CC[N@@H+](Cc1ccc(C#N)o1)CC1CCN(c2ccccn2)CC1 ZINC000093564655 193269827 /nfs/dbraw/zinc/26/98/27/193269827.db2.gz WRBXTFRCTSFXFZ-UHFFFAOYSA-N 1 0 324.428 3.285 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)CC2CC(OC(C)(C)C)C2)CC1 ZINC000488848108 245240342 /nfs/dbraw/zinc/24/03/42/245240342.db2.gz BGTNCVUULUUZEG-UHFFFAOYSA-N 1 0 322.493 3.127 10 30 DGEERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CCC#N)C1CC1 ZINC000042955432 183321784 /nfs/dbraw/zinc/32/17/84/183321784.db2.gz VPWCZOAJSNOECF-IAQYHMDHSA-N 1 0 322.250 3.215 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CCC#N ZINC000043020174 183328604 /nfs/dbraw/zinc/32/86/04/183328604.db2.gz FNIULMRELXMICJ-KBPBESRZSA-N 1 0 310.239 3.073 10 30 DGEERO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@H](C)C#N ZINC000062733069 184251307 /nfs/dbraw/zinc/25/13/07/184251307.db2.gz ITJYYXQVKLCGJD-SECBINFHSA-N 1 0 303.189 3.020 10 30 DGEERO N#Cc1ccc(Cl)cc1NCCC[NH2+]Cc1cccnc1 ZINC000063197162 184277921 /nfs/dbraw/zinc/27/79/21/184277921.db2.gz RTEDRUVMCRJECC-UHFFFAOYSA-N 1 0 300.793 3.198 10 30 DGEERO CC[N@H+](CCc1nccs1)Cc1ccc(OC)c(C#N)c1 ZINC000159247194 197338904 /nfs/dbraw/zinc/33/89/04/197338904.db2.gz KTGMPUAKKAIGPL-UHFFFAOYSA-N 1 0 301.415 3.088 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000122843016 195509586 /nfs/dbraw/zinc/50/95/86/195509586.db2.gz AVLFBJPFLVGYCU-UHFFFAOYSA-N 1 0 313.445 3.059 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CCc3cccc(Cl)c3)n2c1 ZINC000123170408 195551701 /nfs/dbraw/zinc/55/17/01/195551701.db2.gz SGUOPBJBSGTKCR-UHFFFAOYSA-N 1 0 310.788 3.192 10 30 DGEERO C=CCCOCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090883502 400081058 /nfs/dbraw/zinc/08/10/58/400081058.db2.gz BZNDVMDBLDJUDA-ZDUSSCGKSA-N 1 0 320.824 3.164 10 30 DGEERO C=CCOc1ccccc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589077128 400256934 /nfs/dbraw/zinc/25/69/34/400256934.db2.gz HPNYTMJIORLOHX-UHFFFAOYSA-N 1 0 320.352 3.084 10 30 DGEERO N#Cc1c(Br)cccc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600963289 400195208 /nfs/dbraw/zinc/19/52/08/400195208.db2.gz ULDCZTMMBBDFQP-XYPYZODXSA-N 1 0 308.223 3.250 10 30 DGEERO C=CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CCC)C2)cc1 ZINC000093741909 400253894 /nfs/dbraw/zinc/25/38/94/400253894.db2.gz HBJSVMKJRAXJQV-SFHVURJKSA-N 1 0 302.462 3.415 10 30 DGEERO C=CCN1CC[C@@H]([N@H+](C)CCc2ccc(C(C)(C)C)cc2)C1=O ZINC000580984152 400349832 /nfs/dbraw/zinc/34/98/32/400349832.db2.gz IRRYUZFUVJNXSC-GOSISDBHSA-N 1 0 314.473 3.245 10 30 DGEERO N#CCCC[N@@H+](CC[C@@H](O)C(F)(F)F)Cc1ccccc1 ZINC000038958087 400397243 /nfs/dbraw/zinc/39/72/43/400397243.db2.gz RNJTTZITQKQIRH-CQSZACIVSA-N 1 0 300.324 3.106 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC[C@H]2CC)CC1 ZINC000120229696 400444349 /nfs/dbraw/zinc/44/43/49/400444349.db2.gz GJKHONHZVIVUBG-QGZVFWFLSA-N 1 0 307.482 3.391 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602721365 400550845 /nfs/dbraw/zinc/55/08/45/400550845.db2.gz QFXIUPKKCYFGNR-UHFFFAOYSA-N 1 0 307.438 3.067 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)[nH]c1C)C(C)C ZINC000603287859 400664374 /nfs/dbraw/zinc/66/43/74/400664374.db2.gz LAAORIAIPJNSHP-KRWDZBQOSA-N 1 0 303.450 3.060 10 30 DGEERO CN(C)c1ncccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000171246337 400791667 /nfs/dbraw/zinc/79/16/67/400791667.db2.gz IACYGERFVIEAND-UHFFFAOYSA-N 1 0 324.428 3.120 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000181110452 400888001 /nfs/dbraw/zinc/88/80/01/400888001.db2.gz PAMVFPMWSUEIJJ-IRXDYDNUSA-N 1 0 307.482 3.391 10 30 DGEERO C=CC[C@H]1CC[C@H]([NH2+]CCc2nc(C(=O)OCC)cs2)C1 ZINC000593625479 400883387 /nfs/dbraw/zinc/88/33/87/400883387.db2.gz LGWAQPYWWKZRNK-STQMWFEESA-N 1 0 308.447 3.197 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000633410872 400939650 /nfs/dbraw/zinc/93/96/50/400939650.db2.gz FMFUZXTWGNMEGH-HOTGVXAUSA-N 1 0 307.482 3.247 10 30 DGEERO C=CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620192478 401010301 /nfs/dbraw/zinc/01/03/01/401010301.db2.gz MYVYAGVFTQHCHK-GOSISDBHSA-N 1 0 312.457 3.371 10 30 DGEERO C=CCCOc1ccccc1-c1ccc(N2CC[NH2+]CC2)nc1 ZINC000629736798 401067438 /nfs/dbraw/zinc/06/74/38/401067438.db2.gz WYXFUEIHNPVKPH-UHFFFAOYSA-N 1 0 309.413 3.113 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000630023955 401159708 /nfs/dbraw/zinc/15/97/08/401159708.db2.gz QHHSVUJFMBKHRC-HOTGVXAUSA-N 1 0 316.445 3.325 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625784014 401216960 /nfs/dbraw/zinc/21/69/60/401216960.db2.gz BTXBTVAXWNPVFB-MAUKXSAKSA-N 1 0 315.461 3.326 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000625701767 401185850 /nfs/dbraw/zinc/18/58/50/401185850.db2.gz AODHOHPAOOERPH-OAHLLOKOSA-N 1 0 302.418 3.312 10 30 DGEERO C=CC[C@@H]1CCN(Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000625701816 401186768 /nfs/dbraw/zinc/18/67/68/401186768.db2.gz SWGAIFVKZDQQBV-CYBMUJFWSA-N 1 0 305.447 3.056 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)CCCc2cc(F)ccc2F)CC1 ZINC000090554038 401268744 /nfs/dbraw/zinc/26/87/44/401268744.db2.gz NMBMAPAWBWASRX-UHFFFAOYSA-N 1 0 322.399 3.054 10 30 DGEERO C=CCOCC[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982870 401271912 /nfs/dbraw/zinc/27/19/12/401271912.db2.gz VZVZJZWEGQJOGI-HNNXBMFYSA-N 1 0 317.260 3.388 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000625854218 401237018 /nfs/dbraw/zinc/23/70/18/401237018.db2.gz CKHSGSSAJNTZGO-UHFFFAOYSA-N 1 0 322.424 3.084 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H](C)C(C)(C)C)CC1 ZINC000634848248 401359150 /nfs/dbraw/zinc/35/91/50/401359150.db2.gz ZKYOGNIQTBKQBX-OAHLLOKOSA-N 1 0 309.498 3.351 10 30 DGEERO C=CCCC(C)(C)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000631216799 401428880 /nfs/dbraw/zinc/42/88/80/401428880.db2.gz AUMCEKPPZMKUBB-UHFFFAOYSA-N 1 0 301.477 3.234 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000631294460 401446158 /nfs/dbraw/zinc/44/61/58/401446158.db2.gz LRPIFCZWVWWRFT-DLBZAZTESA-N 1 0 304.478 3.456 10 30 DGEERO C=CCCC1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000627127181 401446839 /nfs/dbraw/zinc/44/68/39/401446839.db2.gz UQZNXQIAKCCHMH-HNNXBMFYSA-N 1 0 305.466 3.097 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000623466175 401524225 /nfs/dbraw/zinc/52/42/25/401524225.db2.gz UQLYUSINLWYAED-SJORKVTESA-N 1 0 307.482 3.249 10 30 DGEERO C=CC(C)(C)CCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000623693384 401568915 /nfs/dbraw/zinc/56/89/15/401568915.db2.gz HMLMNYSMCPRXQY-UHFFFAOYSA-N 1 0 307.482 3.295 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000623693256 401568968 /nfs/dbraw/zinc/56/89/68/401568968.db2.gz DOHNHESVDCCWQC-HNNXBMFYSA-N 1 0 305.466 3.001 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000623597073 401552815 /nfs/dbraw/zinc/55/28/15/401552815.db2.gz VUTQUODANHDPTL-SJORKVTESA-N 1 0 315.461 3.115 10 30 DGEERO C=C1CC(C)(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)C1 ZINC000632796660 401626646 /nfs/dbraw/zinc/62/66/46/401626646.db2.gz CYCPRINUVZCBGJ-OAHLLOKOSA-N 1 0 300.402 3.367 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000632939064 401640067 /nfs/dbraw/zinc/64/00/67/401640067.db2.gz NLNCVNLCLRSCGD-ZFWWWQNUSA-N 1 0 301.434 3.492 10 30 DGEERO C=C1CC(C)(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000632335225 401601532 /nfs/dbraw/zinc/60/15/32/401601532.db2.gz YNTYRGGDODAWCT-SJLPKXTDSA-N 1 0 312.457 3.370 10 30 DGEERO C=CC[C@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000628487860 401606826 /nfs/dbraw/zinc/60/68/26/401606826.db2.gz NGARYSVXKRDJSI-HNNXBMFYSA-N 1 0 307.397 3.285 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000624464827 401662589 /nfs/dbraw/zinc/66/25/89/401662589.db2.gz QZZDEXCLGQLOIL-NVXWUHKLSA-N 1 0 319.493 3.247 10 30 DGEERO CC1(C)C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000190960541 165221452 /nfs/dbraw/zinc/22/14/52/165221452.db2.gz UMWNXHDFSLCYFX-KRWDZBQOSA-N 1 0 314.429 3.015 10 30 DGEERO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192145056 165282970 /nfs/dbraw/zinc/28/29/70/165282970.db2.gz OFQUDCBMSXLXRX-OAHLLOKOSA-N 1 0 312.388 3.470 10 30 DGEERO Cc1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1C#N ZINC000192956628 165312202 /nfs/dbraw/zinc/31/22/02/165312202.db2.gz NHJYBJVBIQGDTL-QGZVFWFLSA-N 1 0 306.413 3.196 10 30 DGEERO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246052940 165499605 /nfs/dbraw/zinc/49/96/05/165499605.db2.gz QGUDTUSZCBQXOJ-UIAACRFSSA-N 1 0 306.409 3.470 10 30 DGEERO C=CCCC[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190508355 432166528 /nfs/dbraw/zinc/16/65/28/432166528.db2.gz HTRAYEWTNVOUOY-MRXNPFEDSA-N 1 0 310.482 3.081 10 30 DGEERO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000246947284 432183476 /nfs/dbraw/zinc/18/34/76/432183476.db2.gz ZOSDOVHKKIOZEN-SCRDCRAPSA-N 1 0 317.433 3.463 10 30 DGEERO COCc1ccccc1NC(=[NH2+])NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000128825578 227010579 /nfs/dbraw/zinc/01/05/79/227010579.db2.gz XMJRLHZOEAKDAS-SCTDSRPQSA-N 1 0 321.424 3.146 10 30 DGEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])N3CCC[C@H](C)C3)C2)cc1F ZINC000261690124 228640172 /nfs/dbraw/zinc/64/01/72/228640172.db2.gz KOYAXUQRRMDCNZ-QEJZJMRPSA-N 1 0 319.424 3.127 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CCC2(CCCCC2)O1 ZINC000262366325 228643291 /nfs/dbraw/zinc/64/32/91/228643291.db2.gz LGMDACTVESRTCY-CQSZACIVSA-N 1 0 321.490 3.077 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000330273582 228986693 /nfs/dbraw/zinc/98/66/93/228986693.db2.gz ZKHGQQPVASDMMY-RJIBLYRGSA-N 1 0 310.344 3.098 10 30 DGEERO C[C@H]1C[NH+](CCCNc2cc(C#N)nc3ccccc32)C[C@H](C)O1 ZINC000301339919 229635761 /nfs/dbraw/zinc/63/57/61/229635761.db2.gz HZCFAKHRMJEZNU-GJZGRUSLSA-N 1 0 324.428 3.018 10 30 DGEERO N#Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000374600428 269962219 /nfs/dbraw/zinc/96/22/19/269962219.db2.gz BOKGTZRASSCKHP-LSTHTHJFSA-N 1 0 321.424 3.151 10 30 DGEERO CC(C)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)[NH+]1CCCC1 ZINC000358559174 265900063 /nfs/dbraw/zinc/90/00/63/265900063.db2.gz OXIDIWUCEAMHHM-KDOFPFPSSA-N 1 0 303.425 3.468 10 30 DGEERO Cc1cc(C#N)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000376458472 267318391 /nfs/dbraw/zinc/31/83/91/267318391.db2.gz BFOHOLOTBPWLQF-NVXWUHKLSA-N 1 0 321.428 3.122 10 30 DGEERO N#Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000367347935 268295337 /nfs/dbraw/zinc/29/53/37/268295337.db2.gz NLDGXOPWDGDAPE-MOPGFXCFSA-N 1 0 318.424 3.197 10 30 DGEERO C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245717580 274300801 /nfs/dbraw/zinc/30/08/01/274300801.db2.gz UHENEZVIMGOORC-CRAIPNDOSA-N 1 0 313.832 3.471 10 30 DGEERO CC#CC[NH2+][C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494204465 276932467 /nfs/dbraw/zinc/93/24/67/276932467.db2.gz JTJALHYHFQLOFF-WBVHZDCISA-N 1 0 322.811 3.142 10 30 DGEERO C[N@@H+]1CCC[C@@H]2CN(CC#Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000247946698 277068208 /nfs/dbraw/zinc/06/82/08/277068208.db2.gz DOZCOVNERIDOFM-SJLPKXTDSA-N 1 0 302.849 3.108 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091978929 279181048 /nfs/dbraw/zinc/18/10/48/279181048.db2.gz STYPWLLSOCBLHC-JLSDUUJJSA-N 1 0 300.402 3.121 10 30 DGEERO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000007738108 431362589 /nfs/dbraw/zinc/36/25/89/431362589.db2.gz AKGKOJXDNANDPI-HYVNUMGLSA-N 1 0 311.429 3.397 10 30 DGEERO C=C(C)C[N@@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114197950 431374144 /nfs/dbraw/zinc/37/41/44/431374144.db2.gz FKYKUGQEGVYNRW-UHFFFAOYSA-N 1 0 302.466 3.350 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000076735861 431560002 /nfs/dbraw/zinc/56/00/02/431560002.db2.gz CCCKFQVUVPLRJR-CQSZACIVSA-N 1 0 322.424 3.079 10 30 DGEERO N#Cc1ccc(N2CCC[N@@H+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000077939213 431629746 /nfs/dbraw/zinc/62/97/46/431629746.db2.gz SVVXUXSVUTWNQY-UHFFFAOYSA-N 1 0 309.335 3.252 10 30 DGEERO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000119653193 431713018 /nfs/dbraw/zinc/71/30/18/431713018.db2.gz MAUYSPAEFWAYEC-SFHVURJKSA-N 1 0 322.412 3.291 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000121667483 431803584 /nfs/dbraw/zinc/80/35/84/431803584.db2.gz WKEVQCCVFMSATM-OAHLLOKOSA-N 1 0 323.506 3.422 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000122072438 431810618 /nfs/dbraw/zinc/81/06/18/431810618.db2.gz LMXWLOXEYKPDOS-INIZCTEOSA-N 1 0 324.428 3.086 10 30 DGEERO Cc1cc[n+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000182240890 280712721 /nfs/dbraw/zinc/71/27/21/280712721.db2.gz NPRGJQHABSJFER-OAHLLOKOSA-N 1 0 305.760 3.053 10 30 DGEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000122799115 431844076 /nfs/dbraw/zinc/84/40/76/431844076.db2.gz HMFJVHNGNIYKRQ-HNNXBMFYSA-N 1 0 300.431 3.307 10 30 DGEERO C#CCOc1ccccc1C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000123061876 431853487 /nfs/dbraw/zinc/85/34/87/431853487.db2.gz GXQOZUTVXDERRF-SFHVURJKSA-N 1 0 309.413 3.041 10 30 DGEERO C=C(Br)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000040491106 431857085 /nfs/dbraw/zinc/85/70/85/431857085.db2.gz KECPMUIMZNQQTO-SNVBAGLBSA-N 1 0 300.196 3.263 10 30 DGEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(OCCCC#N)c1 ZINC000123393543 431863844 /nfs/dbraw/zinc/86/38/44/431863844.db2.gz ZMLWWKFDJHVPIG-SFHVURJKSA-N 1 0 315.461 3.285 10 30 DGEERO Cc1ccccc1C1(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123567789 431868377 /nfs/dbraw/zinc/86/83/77/431868377.db2.gz BNGFKYDPODVZJU-UHFFFAOYSA-N 1 0 316.408 3.336 10 30 DGEERO N#Cc1ccccc1OC[C@H](c1ccccc1)N1CCC([NH3+])CC1 ZINC000085223898 431837349 /nfs/dbraw/zinc/83/73/49/431837349.db2.gz SQRNIOYQANFIKE-LJQANCHMSA-N 1 0 321.424 3.101 10 30 DGEERO C=C[C@](C)(O)C[N@H+](Cc1cccc(OC)c1OC)CC(C)C ZINC000036115467 431837642 /nfs/dbraw/zinc/83/76/42/431837642.db2.gz ITQPONXASNNYAY-SFHVURJKSA-N 1 0 307.434 3.099 10 30 DGEERO COc1cc(F)ccc1N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093440620 431914393 /nfs/dbraw/zinc/91/43/93/431914393.db2.gz SVGPTEDEBXJLBG-UHFFFAOYSA-N 1 0 319.424 3.286 10 30 DGEERO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc2c(c1)OCCO2 ZINC000093492131 431916196 /nfs/dbraw/zinc/91/61/96/431916196.db2.gz QWDUUHYZKNYXIG-LLVKDONJSA-N 1 0 300.383 3.242 10 30 DGEERO O[C@@]12CCCC[C@H]1C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000248185590 432273398 /nfs/dbraw/zinc/27/33/98/432273398.db2.gz XGIGOGZCNRTDIX-FUHWJXTLSA-N 1 0 303.833 3.319 10 30 DGEERO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000191964311 432318437 /nfs/dbraw/zinc/31/84/37/432318437.db2.gz KAEJUOXVNQHKIX-HKUYNNGSSA-N 1 0 312.457 3.055 10 30 DGEERO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000191964326 432319022 /nfs/dbraw/zinc/31/90/22/432319022.db2.gz KAEJUOXVNQHKIX-MJGOQNOKSA-N 1 0 312.457 3.055 10 30 DGEERO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C12CCOCC2 ZINC000248909915 432328664 /nfs/dbraw/zinc/32/86/64/432328664.db2.gz BUHXUKHZFJHGDO-ZTFGCOKTSA-N 1 0 314.429 3.183 10 30 DGEERO CCN(C[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)CC(F)(F)F ZINC000192055379 432329477 /nfs/dbraw/zinc/32/94/77/432329477.db2.gz NRDVCLKMXIWRAO-QGZVFWFLSA-N 1 0 324.390 3.244 10 30 DGEERO OCCC[N@H+](CC#Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000192059065 432329552 /nfs/dbraw/zinc/32/95/52/432329552.db2.gz MHFPWCHXPRSPSX-OAQYLSRUSA-N 1 0 305.421 3.410 10 30 DGEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000248969303 432331108 /nfs/dbraw/zinc/33/11/08/432331108.db2.gz SIEVJKZASFFMHE-WBVHZDCISA-N 1 0 306.413 3.448 10 30 DGEERO COC(=O)[C@H](C)[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000192115126 432333647 /nfs/dbraw/zinc/33/36/47/432333647.db2.gz NCGGAVXTBXLTCX-VQIMIIECSA-N 1 0 307.393 3.178 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000248733550 432315379 /nfs/dbraw/zinc/31/53/79/432315379.db2.gz DJGJQULMSGTUFL-FDQGKXFDSA-N 1 0 300.402 3.197 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000174557734 432356227 /nfs/dbraw/zinc/35/62/27/432356227.db2.gz GATBVQNWDPPEFL-UHFFFAOYSA-N 1 0 318.323 3.328 10 30 DGEERO C=CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000175591362 432450877 /nfs/dbraw/zinc/45/08/77/432450877.db2.gz ZNLIBEYENNAQIW-HOCLYGCPSA-N 1 0 317.433 3.198 10 30 DGEERO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000192867469 432423785 /nfs/dbraw/zinc/42/37/85/432423785.db2.gz RHSHPHAUQQZKBS-JTQLQIEISA-N 1 0 305.428 3.361 10 30 DGEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1c2ccccc2O[C@@H]1C ZINC000262316938 432482013 /nfs/dbraw/zinc/48/20/13/432482013.db2.gz USGQYTXUNMWEAP-PXAZEXFGSA-N 1 0 311.385 3.082 10 30 DGEERO C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000185985706 432551500 /nfs/dbraw/zinc/55/15/00/432551500.db2.gz BGALENSHWKLFCC-CQSZACIVSA-N 1 0 309.413 3.407 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185838092 432538506 /nfs/dbraw/zinc/53/85/06/432538506.db2.gz ANBCEPVDQXVDGK-BQFCYCMXSA-N 1 0 300.446 3.368 10 30 DGEERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C12CCOCC2 ZINC000186366966 432588267 /nfs/dbraw/zinc/58/82/67/432588267.db2.gz LEYTYPODRYOOEA-JCGIZDLHSA-N 1 0 314.429 3.183 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000186708338 432623994 /nfs/dbraw/zinc/62/39/94/432623994.db2.gz PNNNQKPXUOYZDX-GXSJLCMTSA-N 1 0 302.187 3.176 10 30 DGEERO CO[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C ZINC000189363951 432781647 /nfs/dbraw/zinc/78/16/47/432781647.db2.gz UXGDBOMZDFKNET-CJNGLKHVSA-N 1 0 311.347 3.414 10 30 DGEERO CC1(C)CC[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)O1 ZINC000189720718 432813236 /nfs/dbraw/zinc/81/32/36/432813236.db2.gz YUNOVBDQIAYXOY-KRWDZBQOSA-N 1 0 302.418 3.416 10 30 DGEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2C)[C@@H](C)C1 ZINC000246008704 432874448 /nfs/dbraw/zinc/87/44/48/432874448.db2.gz KQPMVMMILRRJAC-WMLDXEAASA-N 1 0 314.433 3.061 10 30 DGEERO C=C(CNC(=O)c1ccccc1OCC[NH+](C)C)c1ccccc1 ZINC000288271810 432891030 /nfs/dbraw/zinc/89/10/30/432891030.db2.gz RURZUSGANFVNTR-UHFFFAOYSA-N 1 0 324.424 3.070 10 30 DGEERO CC(C)c1nc(C2(NC(=O)[C@H]3CCCN3C)CCCC2)no1 ZINC000330074685 432891980 /nfs/dbraw/zinc/89/19/80/432891980.db2.gz FSUUSVXKLGAYOI-GFCCVEGCSA-N 1 0 306.410 3.013 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000330246216 432899759 /nfs/dbraw/zinc/89/97/59/432899759.db2.gz YCGCJZLBJAPAEZ-KNXALSJPSA-N 1 0 306.381 3.268 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)c(C)c1 ZINC000330271696 432900587 /nfs/dbraw/zinc/90/05/87/432900587.db2.gz WIDCWWBNHQJZDE-IAOVAPTHSA-N 1 0 302.418 3.437 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000330269144 432901377 /nfs/dbraw/zinc/90/13/77/432901377.db2.gz RSLNMWACECQGSQ-FGEZKYSXSA-N 1 0 310.344 3.098 10 30 DGEERO C#CCOc1ccc([C@H](C)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000373523299 433153710 /nfs/dbraw/zinc/15/37/10/433153710.db2.gz OYTNOKSXBWPEEH-IVMQYODDSA-N 1 0 312.457 3.366 10 30 DGEERO C=CCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374826571 433288621 /nfs/dbraw/zinc/28/86/21/433288621.db2.gz ZCKOUQNQTHNNRV-HNNXBMFYSA-N 1 0 316.449 3.294 10 30 DGEERO C=CCCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000447962716 433332217 /nfs/dbraw/zinc/33/22/17/433332217.db2.gz BFTGQCUYKDUZLH-UHFFFAOYSA-N 1 0 315.461 3.164 10 30 DGEERO C=CCCCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000447961237 433335086 /nfs/dbraw/zinc/33/50/86/433335086.db2.gz AWCOPVNTMBHKER-INIZCTEOSA-N 1 0 315.461 3.477 10 30 DGEERO C=CCCCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000447990466 433341152 /nfs/dbraw/zinc/34/11/52/433341152.db2.gz RUJGXQFEAJCSTC-DOTOQJQBSA-N 1 0 301.434 3.087 10 30 DGEERO C=CCCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000448391538 433402201 /nfs/dbraw/zinc/40/22/01/433402201.db2.gz WJZZHEUHCVLFIQ-KRWDZBQOSA-N 1 0 307.482 3.250 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1OC ZINC000375301793 433417258 /nfs/dbraw/zinc/41/72/58/433417258.db2.gz HZTDRHDOMWOJTD-IBGZPJMESA-N 1 0 317.429 3.263 10 30 DGEERO N#Cc1ccc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000301102907 433417573 /nfs/dbraw/zinc/41/75/73/433417573.db2.gz OUDUGUMDFZFYEZ-GOSISDBHSA-N 1 0 306.413 3.420 10 30 DGEERO CC(C)CC[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301328347 433510645 /nfs/dbraw/zinc/51/06/45/433510645.db2.gz AFZGXSJGVKGBRY-UHFFFAOYSA-N 1 0 308.429 3.275 10 30 DGEERO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cnc(C#N)cn1 ZINC000375696128 433529316 /nfs/dbraw/zinc/52/93/16/433529316.db2.gz GSDFWODALJDWMX-QGZVFWFLSA-N 1 0 321.428 3.061 10 30 DGEERO N#Cc1cccc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000301296028 433493104 /nfs/dbraw/zinc/49/31/04/433493104.db2.gz XSMLIQKMMCCIPD-SFHVURJKSA-N 1 0 306.413 3.420 10 30 DGEERO N#Cc1ccc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000301535840 433599646 /nfs/dbraw/zinc/59/96/46/433599646.db2.gz TYZLEFWBKGIGLU-LJQANCHMSA-N 1 0 306.413 3.420 10 30 DGEERO N#Cc1cnccc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000376197253 433690570 /nfs/dbraw/zinc/69/05/70/433690570.db2.gz JSTUQQKWHDBXPA-FQEVSTJZSA-N 1 0 318.424 3.056 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414563692 433723361 /nfs/dbraw/zinc/72/33/61/433723361.db2.gz UTOBKXNPTWRFPY-QGZVFWFLSA-N 1 0 315.388 3.256 10 30 DGEERO C=CCO[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302149150 433815858 /nfs/dbraw/zinc/81/58/58/433815858.db2.gz LLZSKBRRCUSVQX-CQSZACIVSA-N 1 0 313.357 3.233 10 30 DGEERO C=CCO[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302149149 433817253 /nfs/dbraw/zinc/81/72/53/433817253.db2.gz LLZSKBRRCUSVQX-AWEZNQCLSA-N 1 0 313.357 3.233 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC3(CCC3)[C@H]2C2CC2)CC1 ZINC000378049970 434064707 /nfs/dbraw/zinc/06/47/07/434064707.db2.gz GVXSNZKVXRSBID-QGZVFWFLSA-N 1 0 317.477 3.001 10 30 DGEERO C=CC[N@@H+](CCc1cscn1)Cc1cccc([N+](=O)[O-])c1 ZINC000450296730 434087960 /nfs/dbraw/zinc/08/79/60/434087960.db2.gz FVGHYHOIFGSPTD-UHFFFAOYSA-N 1 0 303.387 3.282 10 30 DGEERO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCC(=O)CC1 ZINC000450302895 434094113 /nfs/dbraw/zinc/09/41/13/434094113.db2.gz YURBWBUMHYUFTB-UHFFFAOYSA-N 1 0 302.374 3.342 10 30 DGEERO C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328614133 434287933 /nfs/dbraw/zinc/28/79/33/434287933.db2.gz VLWAZIDSHKUWRZ-YXJHDRRASA-N 1 0 302.418 3.205 10 30 DGEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3cc(C)oc3C)C2)n1 ZINC000328629536 434294045 /nfs/dbraw/zinc/29/40/45/434294045.db2.gz OXPDBTJAQNYYGQ-HNNXBMFYSA-N 1 0 302.378 3.148 10 30 DGEERO C#CCC1(C(=O)NC2CC([NH+]3CCCCC3)C2)CCCCC1 ZINC000365433486 434298772 /nfs/dbraw/zinc/29/87/72/434298772.db2.gz XLJADRUKEDFNKG-UHFFFAOYSA-N 1 0 302.462 3.093 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCCCNC1=O ZINC000329248259 434379547 /nfs/dbraw/zinc/37/95/47/434379547.db2.gz AHJVAEKRZMCBSH-LSDHHAIUSA-N 1 0 309.454 3.210 10 30 DGEERO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C(=O)OCC)cn1 ZINC000450701717 434354747 /nfs/dbraw/zinc/35/47/47/434354747.db2.gz XOHDWQGMHKNDBH-UHFFFAOYSA-N 1 0 314.385 3.082 10 30 DGEERO C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358949501 434410107 /nfs/dbraw/zinc/41/01/07/434410107.db2.gz HGLAVISDFJGZOZ-ZBFHGGJFSA-N 1 0 317.481 3.041 10 30 DGEERO N#CCC[C@H](C#N)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000371613585 294807545 /nfs/dbraw/zinc/80/75/45/294807545.db2.gz LANOTUAQKNAQDR-QZTJIDSGSA-N 1 0 302.466 3.018 10 30 DGEERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000397471706 434436237 /nfs/dbraw/zinc/43/62/37/434436237.db2.gz ZRSBYWUEADJXGW-UHFFFAOYSA-N 1 0 317.433 3.341 10 30 DGEERO O=C(C[n+]1ccc(-c2cccs2)nc1)c1ccc(Cl)cc1 ZINC000368065566 434565584 /nfs/dbraw/zinc/56/55/84/434565584.db2.gz DSRHFFWWGQZMAK-PEZBUJJGSA-N 1 0 315.805 3.047 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000424176889 434645962 /nfs/dbraw/zinc/64/59/62/434645962.db2.gz SCOMWFWYFOPUSQ-AAEUAGOBSA-N 1 0 311.809 3.038 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)c(Br)c1 ZINC000424173427 434644715 /nfs/dbraw/zinc/64/47/15/434644715.db2.gz NFKIHIUHRMELSP-ZFWWWQNUSA-N 1 0 310.235 3.438 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000424178698 434646693 /nfs/dbraw/zinc/64/66/93/434646693.db2.gz WQCMSBCYQTUQDQ-JSGCOSHPSA-N 1 0 323.458 3.106 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000424177244 434646784 /nfs/dbraw/zinc/64/67/84/434646784.db2.gz SXGVFNDVXCDDDN-KANFNMMFSA-N 1 0 300.446 3.003 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000424290388 434679338 /nfs/dbraw/zinc/67/93/38/434679338.db2.gz BQDRHQGWHTUSNW-JLJPHGGASA-N 1 0 316.401 3.411 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1F)C1CC1 ZINC000424291532 434679617 /nfs/dbraw/zinc/67/96/17/434679617.db2.gz DPELUQMVVYDNHJ-KKXDTOCCSA-N 1 0 305.393 3.466 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000424294302 434680184 /nfs/dbraw/zinc/68/01/84/434680184.db2.gz KLENWCPNCLLAQC-INWMFGNUSA-N 1 0 320.389 3.235 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000424293145 434680753 /nfs/dbraw/zinc/68/07/53/434680753.db2.gz ICOUCJHSSNZBBD-ZVZYQTTQSA-N 1 0 316.445 3.201 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000424298873 434683698 /nfs/dbraw/zinc/68/36/98/434683698.db2.gz UGJJPWULUAERNB-RYRKJORJSA-N 1 0 316.445 3.201 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000424297536 434683774 /nfs/dbraw/zinc/68/37/74/434683774.db2.gz QWCKNYFXUFLHEF-ZYSHUDEJSA-N 1 0 312.388 3.491 10 30 DGEERO C=CCC1(C(=O)NCCC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000424569725 434744999 /nfs/dbraw/zinc/74/49/99/434744999.db2.gz RRMQMFGKORAVEZ-UHFFFAOYSA-N 1 0 322.493 3.130 10 30 DGEERO C=CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1cccc(C)c1 ZINC000460451400 434758243 /nfs/dbraw/zinc/75/82/43/434758243.db2.gz POHJDSVOQPDYDO-AWEZNQCLSA-N 1 0 316.474 3.482 10 30 DGEERO C=CCCCCCN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000372640259 434845138 /nfs/dbraw/zinc/84/51/38/434845138.db2.gz MWDOEOKBZQBYCZ-ALOPSCKCSA-N 1 0 307.482 3.390 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463440929 434961033 /nfs/dbraw/zinc/96/10/33/434961033.db2.gz HFSKROMBNCJTML-KGLIPLIRSA-N 1 0 320.399 3.464 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000528547418 435025736 /nfs/dbraw/zinc/02/57/36/435025736.db2.gz XGYAGNFMBIYJCH-BPQIPLTHSA-N 1 0 314.429 3.022 10 30 DGEERO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773083 435029167 /nfs/dbraw/zinc/02/91/67/435029167.db2.gz GTGBLLFWTUCCIU-DLBZAZTESA-N 1 0 316.420 3.181 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1 ZINC000466917811 435098980 /nfs/dbraw/zinc/09/89/80/435098980.db2.gz TWGNMTJBGAFSSU-LJQANCHMSA-N 1 0 311.425 3.253 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H](CO)Cc1ccccc1C ZINC000466918506 435099953 /nfs/dbraw/zinc/09/99/53/435099953.db2.gz ZNTLPRVPTAZXGS-LJQANCHMSA-N 1 0 311.425 3.253 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000533300601 435223211 /nfs/dbraw/zinc/22/32/11/435223211.db2.gz GKVNHYIBLWPYMC-UHFFFAOYSA-N 1 0 318.465 3.300 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000566323677 435286044 /nfs/dbraw/zinc/28/60/44/435286044.db2.gz YSHZNZUEWJQNFL-IDMDMSBLSA-N 1 0 319.493 3.151 10 30 DGEERO C=CCC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)C1CC1 ZINC000477949799 435286298 /nfs/dbraw/zinc/28/62/98/435286298.db2.gz XRZPBRAANNPASV-KDOFPFPSSA-N 1 0 309.400 3.450 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000567662838 435339885 /nfs/dbraw/zinc/33/98/85/435339885.db2.gz UBUIENRXFJYHGX-JDFRZJQESA-N 1 0 314.429 3.158 10 30 DGEERO C=CCNC(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000513897021 435404581 /nfs/dbraw/zinc/40/45/81/435404581.db2.gz JFDILVMZABQXIK-GOSISDBHSA-N 1 0 315.461 3.259 10 30 DGEERO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000512659704 435366103 /nfs/dbraw/zinc/36/61/03/435366103.db2.gz JJFQCWVWVLFNTF-CABCVRRESA-N 1 0 303.425 3.470 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000537693335 435462367 /nfs/dbraw/zinc/46/23/67/435462367.db2.gz URAVPXLPHXPERO-ROUUACIJSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000537186138 435428078 /nfs/dbraw/zinc/42/80/78/435428078.db2.gz IZFHEIHEYQHDHY-JQHSSLGASA-N 1 0 315.461 3.476 10 30 DGEERO CC[NH+]1CCC(CCNC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000539784452 435567192 /nfs/dbraw/zinc/56/71/92/435567192.db2.gz LVXHFAHPCJQONC-UHFFFAOYSA-N 1 0 319.836 3.063 10 30 DGEERO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000488595534 435639946 /nfs/dbraw/zinc/63/99/46/435639946.db2.gz SRCJSPFHBHCKCP-AWEZNQCLSA-N 1 0 304.459 3.412 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000519690933 435699152 /nfs/dbraw/zinc/69/91/52/435699152.db2.gz CGRCDQOSRKYBPL-IBGZPJMESA-N 1 0 314.473 3.415 10 30 DGEERO COc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1Cl ZINC000174559873 312764151 /nfs/dbraw/zinc/76/41/51/312764151.db2.gz CTIJCDPCDVUPFQ-UHFFFAOYSA-N 1 0 316.788 3.389 10 30 DGEERO N#Cc1csc(C[NH2+]CCc2csc(N3CCCC3)n2)c1 ZINC000177703230 312783415 /nfs/dbraw/zinc/78/34/15/312783415.db2.gz OLQANYBODPFPFZ-UHFFFAOYSA-N 1 0 318.471 3.009 10 30 DGEERO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000543416412 314133147 /nfs/dbraw/zinc/13/31/47/314133147.db2.gz KEWILPNYBWKLAE-YOEHRIQHSA-N 1 0 312.388 3.342 10 30 DGEERO Cc1cc(C#N)nc(Nc2ccc(CC[NH+]3CCCCC3)cc2)n1 ZINC000557503219 314807350 /nfs/dbraw/zinc/80/73/50/314807350.db2.gz HEZOPQZXBYBQDC-UHFFFAOYSA-N 1 0 321.428 3.429 10 30 DGEERO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[C@@H]3C3CCC3)C2=O)cc1 ZINC000558695895 314859145 /nfs/dbraw/zinc/85/91/45/314859145.db2.gz IOVXNJSYOQZSCI-QYZOEREBSA-N 1 0 323.440 3.222 10 30 DGEERO CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1nccs1 ZINC000185066298 323380826 /nfs/dbraw/zinc/38/08/26/323380826.db2.gz QIGKCEKNGUIFMA-CYBMUJFWSA-N 1 0 317.414 3.143 10 30 DGEERO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCCSCC#N)CC1 ZINC000159490217 332143499 /nfs/dbraw/zinc/14/34/99/332143499.db2.gz BFDUJNVDMCWPNQ-HNNXBMFYSA-N 1 0 321.465 3.151 10 30 DGEERO C=C(C)C[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000181273508 332189361 /nfs/dbraw/zinc/18/93/61/332189361.db2.gz JWRHYVOUVDCXHC-LLVKDONJSA-N 1 0 304.217 3.241 10 30 DGEERO C=CCCCCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000569903277 332691321 /nfs/dbraw/zinc/69/13/21/332691321.db2.gz JIMKKZVJQUWMHA-CQSZACIVSA-N 1 0 310.463 3.455 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000500249914 333236496 /nfs/dbraw/zinc/23/64/96/333236496.db2.gz MNWGPYXLGHJJJH-SFHVURJKSA-N 1 0 315.388 3.084 10 30 DGEERO [NH2+]=C(Nc1ccc2c(c1)CCC2)N[C@@H]1COc2ccc(F)cc21 ZINC000262467810 337618433 /nfs/dbraw/zinc/61/84/33/337618433.db2.gz YMQFCMHSMDCREJ-MRXNPFEDSA-N 1 0 311.360 3.175 10 30 DGEERO CC[NH+](CC)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)CC(C)C ZINC000504433815 340147812 /nfs/dbraw/zinc/14/78/12/340147812.db2.gz KOTLLUVCPCWARA-INIZCTEOSA-N 1 0 322.497 3.078 10 30 DGEERO C=CCCC[N@@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000509658249 340275957 /nfs/dbraw/zinc/27/59/57/340275957.db2.gz NEMSRSKHNYVQOI-UHFFFAOYSA-N 1 0 301.478 3.097 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542323640 341005217 /nfs/dbraw/zinc/00/52/17/341005217.db2.gz WDVZMYQQSNZPLV-PKOBYXMFSA-N 1 0 312.457 3.373 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544192047 341074028 /nfs/dbraw/zinc/07/40/28/341074028.db2.gz WPYZPEXAVNUVAX-GOSISDBHSA-N 1 0 300.446 3.209 10 30 DGEERO C=C(Br)COc1cc(C[C@H]([NH3+])CC)ccc1OC ZINC000037728227 517316495 /nfs/dbraw/zinc/31/64/95/517316495.db2.gz GLJFHGAPIPXTMV-GFCCVEGCSA-N 1 0 314.223 3.262 10 30 DGEERO C=CC(C)(C)CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000458989648 534506712 /nfs/dbraw/zinc/50/67/12/534506712.db2.gz PWSCEASAUNWRCP-KRWDZBQOSA-N 1 0 321.509 3.496 10 30 DGEERO C=CC(C)(C)CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000458989650 534507190 /nfs/dbraw/zinc/50/71/90/534507190.db2.gz PWSCEASAUNWRCP-QGZVFWFLSA-N 1 0 321.509 3.496 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000449547564 534573025 /nfs/dbraw/zinc/57/30/25/534573025.db2.gz IRMSXVCSDNWLIA-KGLIPLIRSA-N 1 0 314.198 3.411 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000449549214 534576256 /nfs/dbraw/zinc/57/62/56/534576256.db2.gz VSUBPWOLIGLDOC-VMGRFDJRSA-N 1 0 318.417 3.038 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CCCC1 ZINC000459055321 534597567 /nfs/dbraw/zinc/59/75/67/534597567.db2.gz UYQLXNFDQZFTEX-IAGOWNOFSA-N 1 0 321.509 3.495 10 30 DGEERO [NH2+]=C(NC[C@@H]1CC12CCSCC2)Nc1ccc2c(c1)CCC2 ZINC000263148181 534833295 /nfs/dbraw/zinc/83/32/95/534833295.db2.gz PBUISSNXMRJAQJ-HNNXBMFYSA-N 1 0 315.486 3.435 10 30 DGEERO C[NH+]=C(NCC1(C2CC2)CCC1)N[C@@H]1CCOc2ccccc21 ZINC000261957978 526349685 /nfs/dbraw/zinc/34/96/85/526349685.db2.gz ZWGBTCKLVRWVIB-MRXNPFEDSA-N 1 0 313.445 3.256 10 30 DGEERO C[NH+]=C(N[C@H](C)c1ccccc1Br)NC1CCC1 ZINC000262805465 526395404 /nfs/dbraw/zinc/39/54/04/526395404.db2.gz SPAXVDSHOHUMJI-SNVBAGLBSA-N 1 0 310.239 3.228 10 30 DGEERO C=CC[NH+]1CCC(Nc2nc(C)c(CC(C)C)c(C)n2)CC1 ZINC000431805985 526453816 /nfs/dbraw/zinc/45/38/16/526453816.db2.gz YIHFUFRFTGAMQS-UHFFFAOYSA-N 1 0 302.466 3.354 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444700642 526542488 /nfs/dbraw/zinc/54/24/88/526542488.db2.gz ODUPIYIGQSYFOD-STQMWFEESA-N 1 0 306.372 3.074 10 30 DGEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)C1CCCCC1 ZINC000352816589 526558767 /nfs/dbraw/zinc/55/87/67/526558767.db2.gz PLTPCEADMQPCKW-GOSISDBHSA-N 1 0 307.434 3.091 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000184989819 526702947 /nfs/dbraw/zinc/70/29/47/526702947.db2.gz FASULZVWMSSTFU-MRXNPFEDSA-N 1 0 315.461 3.288 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000343854289 526702982 /nfs/dbraw/zinc/70/29/82/526702982.db2.gz IRSIJMAKKNDWRK-OAHLLOKOSA-N 1 0 316.445 3.184 10 30 DGEERO C=C(CC)C[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000429584111 526850627 /nfs/dbraw/zinc/85/06/27/526850627.db2.gz DBXQWPWVDRUSOE-UHFFFAOYSA-N 1 0 308.447 3.465 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000353515308 526867634 /nfs/dbraw/zinc/86/76/34/526867634.db2.gz DQMAIBVBARHQRE-HUUCEWRRSA-N 1 0 315.335 3.139 10 30 DGEERO C=C(CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000352996586 526870725 /nfs/dbraw/zinc/87/07/25/526870725.db2.gz HZDPQPZLFKRMMD-CALCHBBNSA-N 1 0 315.461 3.262 10 30 DGEERO C=CCOc1ccccc1C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000353913983 526931239 /nfs/dbraw/zinc/93/12/39/526931239.db2.gz JQUOQWHIPPVXIN-MRXNPFEDSA-N 1 0 315.413 3.027 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000349040652 526932850 /nfs/dbraw/zinc/93/28/50/526932850.db2.gz UZYLYBSZTNUUIS-WMZOPIPTSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCC(C)(C)C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000340430504 527019474 /nfs/dbraw/zinc/01/94/74/527019474.db2.gz WYLRVEFPMCNUIR-LLVKDONJSA-N 1 0 300.244 3.226 10 30 DGEERO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000413980693 527111875 /nfs/dbraw/zinc/11/18/75/527111875.db2.gz CRFSNABSQVRIFG-SFHVURJKSA-N 1 0 323.440 3.060 10 30 DGEERO C=CCCC[N@@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000341888322 527191748 /nfs/dbraw/zinc/19/17/48/527191748.db2.gz IUZZOTPJXYIJRT-LJQANCHMSA-N 1 0 302.462 3.176 10 30 DGEERO C=CCCC[N@@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000346957146 527192543 /nfs/dbraw/zinc/19/25/43/527192543.db2.gz FRWJGNINLZYBFA-GOSISDBHSA-N 1 0 300.446 3.468 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000349758166 527211060 /nfs/dbraw/zinc/21/10/60/527211060.db2.gz MGHSKQSBDMESOB-CMPLNLGQSA-N 1 0 316.214 3.046 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415585547 527259424 /nfs/dbraw/zinc/25/94/24/527259424.db2.gz UPSIAIAETOEDCB-MRXNPFEDSA-N 1 0 301.434 3.397 10 30 DGEERO C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415966987 527293111 /nfs/dbraw/zinc/29/31/11/527293111.db2.gz CSYIQMRJUFVDTN-LBPRGKRZSA-N 1 0 305.397 3.338 10 30 DGEERO C=CCC[N@@H+](C)Cc1cc(Br)ccc1C(=O)OC ZINC000338340615 527320894 /nfs/dbraw/zinc/32/08/94/527320894.db2.gz CWQCHRVOJMNDRE-UHFFFAOYSA-N 1 0 312.207 3.244 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000424298821 527498860 /nfs/dbraw/zinc/49/88/60/527498860.db2.gz TWWCSWXLKFTRRQ-QRTARXTBSA-N 1 0 304.390 3.097 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000429305865 527624947 /nfs/dbraw/zinc/62/49/47/527624947.db2.gz GZMPBPMDCSTRBG-QGZVFWFLSA-N 1 0 300.446 3.324 10 30 DGEERO CC1=CCN(CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000358127870 528118709 /nfs/dbraw/zinc/11/87/09/528118709.db2.gz CKMCPXKSESASCV-UHFFFAOYSA-N 1 0 313.445 3.111 10 30 DGEERO CCOC[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177366674 529030218 /nfs/dbraw/zinc/03/02/18/529030218.db2.gz RITPJUJNXLSTEA-HNNXBMFYSA-N 1 0 311.347 3.415 10 30 DGEERO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180722815 546148016 /nfs/dbraw/zinc/14/80/16/546148016.db2.gz XBAOXPMDIVEVBU-LBPRGKRZSA-N 1 0 310.800 3.330 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000733327653 574616426 /nfs/dbraw/zinc/61/64/26/574616426.db2.gz ALSQZFDVJRDTDO-IRXDYDNUSA-N 1 0 300.446 3.051 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)cc1 ZINC000742374299 574993317 /nfs/dbraw/zinc/99/33/17/574993317.db2.gz MKRQCGPPKOLDTG-LJQANCHMSA-N 1 0 315.413 3.459 10 30 DGEERO CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(O)c1 ZINC000729855314 575264502 /nfs/dbraw/zinc/26/45/02/575264502.db2.gz PMSUWJLCXILVNR-UHFFFAOYSA-N 1 0 300.333 3.091 10 30 DGEERO C#Cc1cccc(NC(=S)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000727087138 576105743 /nfs/dbraw/zinc/10/57/43/576105743.db2.gz BAIZMYULODJELD-UHFFFAOYSA-N 1 0 319.393 3.058 10 30 DGEERO Cc1ccc(N=NC(C)c2cccc(OCC[NH+](C)C)c2)nc1 ZINC000727259263 576116265 /nfs/dbraw/zinc/11/62/65/576116265.db2.gz AACLTUDGTVJZKN-UHFFFAOYSA-N 1 0 312.417 3.167 10 30 DGEERO C[N@H+](CCCOC(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000129556426 625678659 /nfs/dbraw/zinc/67/86/59/625678659.db2.gz XHXZETBYYQOQJC-UHFFFAOYSA-N 1 0 308.381 3.237 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000129786298 625773620 /nfs/dbraw/zinc/77/36/20/625773620.db2.gz GZKOJSNDHHEELO-GOSISDBHSA-N 1 0 320.392 3.298 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CC1CCCC1 ZINC000131095831 625943747 /nfs/dbraw/zinc/94/37/47/625943747.db2.gz OWZRXIZCKIFYJT-UHFFFAOYSA-N 1 0 309.417 3.205 10 30 DGEERO C[C@@H]([NH2+]CC(C)(C)C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000221270888 627217373 /nfs/dbraw/zinc/21/73/73/627217373.db2.gz CWXLPIHVHSGGCC-KGLIPLIRSA-N 1 0 309.454 3.161 10 30 DGEERO Cc1cc(C)cc(NC(=[NH2+])NCc2cnn(-c3ccccc3)c2)c1 ZINC000104159153 627411115 /nfs/dbraw/zinc/41/11/15/627411115.db2.gz UXQKRNIQGWVUDT-UHFFFAOYSA-N 1 0 319.412 3.416 10 30 DGEERO C#C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(C)C ZINC000707914865 660915196 /nfs/dbraw/zinc/91/51/96/660915196.db2.gz CRZWHIORRPIERQ-YHUYYLMFSA-N 1 0 306.450 3.022 10 30 DGEERO N#CCOc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000175992662 655690048 /nfs/dbraw/zinc/69/00/48/655690048.db2.gz VFYPBMHWWWFGJE-UHFFFAOYSA-N 1 0 318.380 3.269 10 30 DGEERO N#Cc1cc(N2CCC([NH2+]CC3CC3)CC2)nc2ccccc12 ZINC000261718243 657042676 /nfs/dbraw/zinc/04/26/76/657042676.db2.gz LSSQLZTYFYASKP-UHFFFAOYSA-N 1 0 306.413 3.075 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NCC1CCC(F)(F)CC1 ZINC000261728466 657054345 /nfs/dbraw/zinc/05/43/45/657054345.db2.gz OAFJYENHRICRPR-UHFFFAOYSA-N 1 0 301.406 3.020 10 30 DGEERO C=C(Cl)CNC(N[C@H]1CC(C)(C)Oc2ccccc21)=[NH+]C ZINC000262018553 657290362 /nfs/dbraw/zinc/29/03/62/657290362.db2.gz YIVGEONIGSOCJI-ZDUSSCGKSA-N 1 0 307.825 3.206 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCOc2cccc(Cl)c2)c1 ZINC000303872498 657569978 /nfs/dbraw/zinc/56/99/78/657569978.db2.gz GJQAETGJAPXVBK-UHFFFAOYSA-N 1 0 303.793 3.454 10 30 DGEERO COc1ccc(O[C@@H](C)CNC(=[NH2+])Nc2cccc(C)c2)cc1 ZINC000304756721 657647348 /nfs/dbraw/zinc/64/73/48/657647348.db2.gz NXFVJHYDCWSQKV-AWEZNQCLSA-N 1 0 313.401 3.198 10 30 DGEERO Cc1cc(C)cc(NC(=[NH2+])NCCOc2ccc(F)cc2F)c1 ZINC000304752294 657647385 /nfs/dbraw/zinc/64/73/85/657647385.db2.gz XVSYMKHWXNTFKE-UHFFFAOYSA-N 1 0 319.355 3.387 10 30 DGEERO Cc1c(CNC(=[NH2+])NCCc2cccs2)oc2ccccc12 ZINC000304753701 657647831 /nfs/dbraw/zinc/64/78/31/657647831.db2.gz LHNPNSZQEWOJIH-UHFFFAOYSA-N 1 0 313.426 3.450 10 30 DGEERO CCc1cnc(CCNC(=[NH2+])N[C@@H](C)CCCC(C)C)s1 ZINC000304805763 657653666 /nfs/dbraw/zinc/65/36/66/657653666.db2.gz RNYUIJKTTAKOTD-ZDUSSCGKSA-N 1 0 310.511 3.367 10 30 DGEERO CCc1cnc(CCNC(=[NH2+])Nc2cc(C)cc(C)c2)s1 ZINC000304798543 657712723 /nfs/dbraw/zinc/71/27/23/657712723.db2.gz NTCOBUCWDSNGHZ-UHFFFAOYSA-N 1 0 302.447 3.292 10 30 DGEERO [NH2+]=C(NCc1ccccc1OC1CCC1)N1CCCCCC1 ZINC000305091680 657719212 /nfs/dbraw/zinc/71/92/12/657719212.db2.gz XEUVMJFSPOTXCO-UHFFFAOYSA-N 1 0 301.434 3.309 10 30 DGEERO C=CCc1cc(OCC)cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000098051182 657793693 /nfs/dbraw/zinc/79/36/93/657793693.db2.gz JPKCJILFLKXIGY-ZIAGYGMSSA-N 1 0 305.418 3.129 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCCCC(F)(F)C1 ZINC000262709161 657956617 /nfs/dbraw/zinc/95/66/17/657956617.db2.gz OPKCPJBCOIPVON-GFCCVEGCSA-N 1 0 315.433 3.411 10 30 DGEERO CCc1nc(CNC(N[C@@H]2CCC[C@@H](CC)C2)=[NH+]C)cs1 ZINC000262756898 658014088 /nfs/dbraw/zinc/01/40/88/658014088.db2.gz BXHZNXXWQHAVBT-CHWSQXEVSA-N 1 0 308.495 3.339 10 30 DGEERO CC[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1C[C@H]1C ZINC000262811205 658039704 /nfs/dbraw/zinc/03/97/04/658039704.db2.gz ODYMXTXENQDBIO-MWLCHTKSSA-N 1 0 322.865 3.413 10 30 DGEERO CCc1ccc([C@@H](C)NC(NCc2ncccc2C)=[NH+]C)cc1 ZINC000085767181 658579147 /nfs/dbraw/zinc/57/91/47/658579147.db2.gz LLSABVOEZXRXAU-OAHLLOKOSA-N 1 0 310.445 3.379 10 30 DGEERO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cncc(C#N)c1 ZINC000721597376 658740404 /nfs/dbraw/zinc/74/04/04/658740404.db2.gz KFJKGDNYECLZQN-KRWDZBQOSA-N 1 0 320.440 3.050 10 30 DGEERO C[C@H]1CCCCN1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237513371 658775006 /nfs/dbraw/zinc/77/50/06/658775006.db2.gz ZTZAMFSVUPUSMO-KRWDZBQOSA-N 1 0 315.461 3.333 10 30 DGEERO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239274589 659992235 /nfs/dbraw/zinc/99/22/35/659992235.db2.gz AKGKOJXDNANDPI-PVAVHDDUSA-N 1 0 311.429 3.397 10 30 DGEERO C#CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)C1CCCC1 ZINC000155870424 661854071 /nfs/dbraw/zinc/85/40/71/661854071.db2.gz LPCVEVWTGUYBMK-OAHLLOKOSA-N 1 0 316.420 3.223 10 30 DGEERO C#CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C1CCCC1 ZINC000155891219 661854471 /nfs/dbraw/zinc/85/44/71/661854471.db2.gz VWUQTOUWPJDIOA-UHFFFAOYSA-N 1 0 324.877 3.238 10 30 DGEERO C#CCN(CC(=O)Nc1sc(C)c(C)c1C)C1CCCC1 ZINC000155927858 661855165 /nfs/dbraw/zinc/85/51/65/661855165.db2.gz FXKKTSRCWXVBMW-UHFFFAOYSA-N 1 0 304.459 3.490 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000075734937 661945458 /nfs/dbraw/zinc/94/54/58/661945458.db2.gz PNJHOBQRTJNEEQ-SFHVURJKSA-N 1 0 301.361 3.214 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000076736542 661995374 /nfs/dbraw/zinc/99/53/74/661995374.db2.gz DEQYUSMHOJPEJK-UHFFFAOYSA-N 1 0 313.445 3.448 10 30 DGEERO COc1ccccc1CNC(=[NH2+])NCc1ccc(C2CC2)cc1 ZINC000191161250 662055719 /nfs/dbraw/zinc/05/57/19/662055719.db2.gz ZXAFNSZTJONVQY-UHFFFAOYSA-N 1 0 309.413 3.177 10 30 DGEERO C[NH+](C)CCN1[C@]2(C#N)CCCC[C@@H]2C[C@@H]2CCCC[C@]21C#N ZINC000245380660 662231771 /nfs/dbraw/zinc/23/17/71/662231771.db2.gz GGRJHCLVWWHRGC-RDGPPVDQSA-N 1 0 314.477 3.159 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000245649745 662237783 /nfs/dbraw/zinc/23/77/83/662237783.db2.gz MOKJLLXSMDYYBW-LEWJYISDSA-N 1 0 320.436 3.234 10 30 DGEERO C#CCCOc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000245764987 662240674 /nfs/dbraw/zinc/24/06/74/662240674.db2.gz QLTKIIQPUJTDLT-AZUAARDMSA-N 1 0 313.441 3.216 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cccc(Cl)c1Br ZINC000719476847 662288752 /nfs/dbraw/zinc/28/87/52/662288752.db2.gz HSLFRWSMKVEUEJ-SNVBAGLBSA-N 1 0 304.615 3.129 10 30 DGEERO Fc1ccc(C[NH2+]CCOC(F)(F)C(F)(F)F)cc1F ZINC000720260750 662307492 /nfs/dbraw/zinc/30/74/92/662307492.db2.gz MLAKLUFGMYVTPZ-UHFFFAOYSA-N 1 0 305.193 3.226 10 30 DGEERO C#C[C@@](C)(CC)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000384130690 1177086013 /nfs/dbraw/zinc/08/60/13/1177086013.db2.gz CEZISCFWVPSHEG-AWEZNQCLSA-N 1 0 310.191 3.069 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085366874 1177712348 /nfs/dbraw/zinc/71/23/48/1177712348.db2.gz FHJUFROUZAZLBL-CHWSQXEVSA-N 1 0 312.866 3.434 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085366872 1177712707 /nfs/dbraw/zinc/71/27/07/1177712707.db2.gz FHJUFROUZAZLBL-STQMWFEESA-N 1 0 312.866 3.434 10 30 DGEERO C=C(C)CC[NH2+]Cc1cccc(I)c1 ZINC000386862008 1197708281 /nfs/dbraw/zinc/70/82/81/1197708281.db2.gz JPWWMAKDPHVSIA-UHFFFAOYSA-N 1 0 301.171 3.347 10 30 DGEERO C=CC[C@H](CC)[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401957450 1199427391 /nfs/dbraw/zinc/42/73/91/1199427391.db2.gz QELKAYMDPQOEEU-IRXDYDNUSA-N 1 0 302.418 3.342 10 30 DGEERO C[C@@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000309801865 1199709714 /nfs/dbraw/zinc/70/97/14/1199709714.db2.gz KBWLXNNYKFWXRW-NQIIRXRSSA-N 1 0 304.437 3.291 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+]CCC(F)F ZINC000311226028 1199736535 /nfs/dbraw/zinc/73/65/35/1199736535.db2.gz QXZSTKVPOLKXSJ-UHFFFAOYSA-N 1 0 318.161 3.206 10 30 DGEERO C[C@H](CNc1cc(Br)ccc1C#N)C[NH+]1CCCC1 ZINC000123259280 1200275229 /nfs/dbraw/zinc/27/52/29/1200275229.db2.gz QXNCHRUWMWJWHI-GFCCVEGCSA-N 1 0 322.250 3.465 10 30 DGEERO N#Cc1ccc(Br)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000123363050 1200276868 /nfs/dbraw/zinc/27/68/68/1200276868.db2.gz DUNBDBICLQWBST-UONOGXRCSA-N 1 0 320.234 3.359 10 30 DGEERO C[C@@H](CC[NH+](C)C)Nc1ccc(C#N)c(Br)c1F ZINC000231845041 1202600316 /nfs/dbraw/zinc/60/03/16/1202600316.db2.gz ZJSXPXQFJSQOPR-VIFPVBQESA-N 1 0 314.202 3.212 10 30 DGEERO C[C@H](CC[NH+](C)C)Nc1ccc(C#N)c(Br)c1F ZINC000231845044 1202600309 /nfs/dbraw/zinc/60/03/09/1202600309.db2.gz ZJSXPXQFJSQOPR-SECBINFHSA-N 1 0 314.202 3.212 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc(OCC(C)C)cc2)CC1 ZINC000236677122 1202619031 /nfs/dbraw/zinc/61/90/31/1202619031.db2.gz QTBPKQISIOXORY-UHFFFAOYSA-N 1 0 302.462 3.461 10 30 DGEERO C#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000174786625 1203910447 /nfs/dbraw/zinc/91/04/47/1203910447.db2.gz QSWGFEJROHMWTM-SFHVURJKSA-N 1 0 311.429 3.054 10 30 DGEERO C#CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000176383994 1087717194 /nfs/dbraw/zinc/71/71/94/1087717194.db2.gz WVVTTZRBEBOKIT-HNNXBMFYSA-N 1 0 306.450 3.121 10 30 DGEERO C=CCC[C@@H]([NH2+]Cc1c(C)nn(CCO)c1C)c1ccccc1 ZINC000158848988 1100828189 /nfs/dbraw/zinc/82/81/89/1100828189.db2.gz RYSXANVVWVDHOI-LJQANCHMSA-N 1 0 313.445 3.289 10 30 DGEERO C=CCC[C@@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)C1CC1 ZINC000278531968 214217774 /nfs/dbraw/zinc/21/77/74/214217774.db2.gz UFUMBZXXFDLECP-DLBZAZTESA-N 1 0 302.466 3.032 10 30 DGEERO N#Cc1ccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)cc1 ZINC000088755510 185264053 /nfs/dbraw/zinc/26/40/53/185264053.db2.gz FOBWMCJCKMSXDE-HNNXBMFYSA-N 1 0 313.351 3.205 10 30 DGEERO CCn1cc(C2CC[NH+](Cc3cc(C#N)cs3)CC2)cn1 ZINC000092809368 185342685 /nfs/dbraw/zinc/34/26/85/185342685.db2.gz GABYNYKYUJZKTO-UHFFFAOYSA-N 1 0 300.431 3.216 10 30 DGEERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(C#N)c1 ZINC000182053661 199379970 /nfs/dbraw/zinc/37/99/70/199379970.db2.gz KMDUOMBLVSDMFU-JTQLQIEISA-N 1 0 308.307 3.161 10 30 DGEERO N#Cc1cccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107723864 432039126 /nfs/dbraw/zinc/03/91/26/432039126.db2.gz SRRKNZDUBCMQPL-QGZVFWFLSA-N 1 0 312.417 3.040 10 30 DGEERO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000170858065 432084739 /nfs/dbraw/zinc/08/47/39/432084739.db2.gz CSKZIGOXBNTUCZ-INIZCTEOSA-N 1 0 319.408 3.001 10 30 DGEERO Cn1c2ccc(C[N@H+](C)Cc3ccc(C#N)cc3)cc2sc1=O ZINC000194985926 201321426 /nfs/dbraw/zinc/32/14/26/201321426.db2.gz YRNMZSHDOFTFNF-UHFFFAOYSA-N 1 0 323.421 3.104 10 30 DGEERO CCn1cnnc1C1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189879563 432100831 /nfs/dbraw/zinc/10/08/31/432100831.db2.gz CSMHFUJYKJARNF-AWEZNQCLSA-N 1 0 309.417 3.110 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)N(C)C ZINC000449120436 240027751 /nfs/dbraw/zinc/02/77/51/240027751.db2.gz CXHBOFAWPXKVPZ-SJLPKXTDSA-N 1 0 302.462 3.410 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC2(CF)CCOCC2)cc1OC ZINC000449483969 240236648 /nfs/dbraw/zinc/23/66/48/240236648.db2.gz DOXARMIWKUXEIG-UHFFFAOYSA-N 1 0 323.408 3.116 10 30 DGEERO C=CCC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000449694409 240373683 /nfs/dbraw/zinc/37/36/83/240373683.db2.gz BLLQZFWIXNQAAC-MAUKXSAKSA-N 1 0 318.461 3.444 10 30 DGEERO C=CCC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000449694411 240373849 /nfs/dbraw/zinc/37/38/49/240373849.db2.gz BLLQZFWIXNQAAC-YJBOKZPZSA-N 1 0 318.461 3.444 10 30 DGEERO C=CCC1(C[NH2+]Cc2c(Br)cnn2C)CCCC1 ZINC000449604534 240316297 /nfs/dbraw/zinc/31/62/97/240316297.db2.gz KOAKKKXIEAGSBM-UHFFFAOYSA-N 1 0 312.255 3.409 10 30 DGEERO C=C(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000455309605 242164999 /nfs/dbraw/zinc/16/49/99/242164999.db2.gz LIIGSURRBHXMJD-HOCLYGCPSA-N 1 0 321.490 3.396 10 30 DGEERO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868673 193321081 /nfs/dbraw/zinc/32/10/81/193321081.db2.gz SIFIHDYLNQSMIM-GDBMZVCRSA-N 1 0 314.458 3.312 10 30 DGEERO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1F ZINC000181358883 432126823 /nfs/dbraw/zinc/12/68/23/432126823.db2.gz ABMFGAYXVXJXGD-ZDUSSCGKSA-N 1 0 311.360 3.295 10 30 DGEERO COc1ccccc1[C@H]1CC(=O)C2=CN[C@H]3CCCC[C@@H]3[NH+]=C2C1 ZINC000017066463 182074138 /nfs/dbraw/zinc/07/41/38/182074138.db2.gz VNHDAOAMUWRFGL-COXVUDFISA-N 1 0 324.424 3.381 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CCC#N ZINC000042952570 183320914 /nfs/dbraw/zinc/32/09/14/183320914.db2.gz DUXPOHFECSPBPT-ZIAGYGMSSA-N 1 0 310.239 3.073 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(CC)CCC#N ZINC000043093265 183336933 /nfs/dbraw/zinc/33/69/33/183336933.db2.gz VANJZUCJJKPXEP-CABCVRRESA-N 1 0 324.266 3.463 10 30 DGEERO Cc1cc(C#N)cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342847046 254064422 /nfs/dbraw/zinc/06/44/22/254064422.db2.gz GOPWYIAZNCTMBL-RDTXWAMCSA-N 1 0 306.413 3.194 10 30 DGEERO Cc1cnn([C@@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)c1 ZINC000156232104 197097554 /nfs/dbraw/zinc/09/75/54/197097554.db2.gz DBWDGFNZHJVOLR-GOSISDBHSA-N 1 0 324.428 3.169 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000595076984 400100733 /nfs/dbraw/zinc/10/07/33/400100733.db2.gz KNGLMCCBHJCEMR-AWEZNQCLSA-N 1 0 321.417 3.324 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000091509443 400125604 /nfs/dbraw/zinc/12/56/04/400125604.db2.gz CJOKKSZSBVGPHB-AWEZNQCLSA-N 1 0 304.434 3.399 10 30 DGEERO C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754714 400138413 /nfs/dbraw/zinc/13/84/13/400138413.db2.gz WVRINGSMJIMJRR-GOSISDBHSA-N 1 0 324.424 3.165 10 30 DGEERO Cn1ccnc1C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000610272823 400230764 /nfs/dbraw/zinc/23/07/64/400230764.db2.gz RJDKPIMDHFDZBF-IBGZPJMESA-N 1 0 316.408 3.365 10 30 DGEERO C[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000025417877 400237182 /nfs/dbraw/zinc/23/71/82/400237182.db2.gz ANCMRLFOCAXYLH-HNNXBMFYSA-N 1 0 307.397 3.212 10 30 DGEERO C=C(C)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000387340710 400264692 /nfs/dbraw/zinc/26/46/92/400264692.db2.gz FDCMCIYQNXKKND-NSHDSACASA-N 1 0 304.217 3.289 10 30 DGEERO C=CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617009015 400271390 /nfs/dbraw/zinc/27/13/90/400271390.db2.gz QGJZKXIHXGDLKK-IRXDYDNUSA-N 1 0 300.446 3.335 10 30 DGEERO C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000617042509 400291042 /nfs/dbraw/zinc/29/10/42/400291042.db2.gz SFWCCXUTAYOMCP-WMLDXEAASA-N 1 0 301.434 3.008 10 30 DGEERO COc1ccccc1CC[N@H+](C)CCOc1ccccc1C#N ZINC000104711297 400315121 /nfs/dbraw/zinc/31/51/21/400315121.db2.gz OJPCZRMXITUVOD-UHFFFAOYSA-N 1 0 310.397 3.120 10 30 DGEERO C=CCOCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000611543882 400418593 /nfs/dbraw/zinc/41/85/93/400418593.db2.gz DZKHRDCMUMDBJD-UHFFFAOYSA-N 1 0 322.408 3.429 10 30 DGEERO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000611553350 400419786 /nfs/dbraw/zinc/41/97/86/400419786.db2.gz XGADHVKCXWZMMR-FQEVSTJZSA-N 1 0 323.415 3.251 10 30 DGEERO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc2ccccc2c1 ZINC000123184348 400466718 /nfs/dbraw/zinc/46/67/18/400466718.db2.gz JBRWTSUUHRZIDB-XOBRGWDASA-N 1 0 321.424 3.299 10 30 DGEERO CC(C)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(F)cc1 ZINC000123614472 400470475 /nfs/dbraw/zinc/47/04/75/400470475.db2.gz MJPBYUBZGBEQMJ-UHFFFAOYSA-N 1 0 322.387 3.412 10 30 DGEERO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047454175 400617859 /nfs/dbraw/zinc/61/78/59/400617859.db2.gz IZDZNGBBGKZOLW-CQSZACIVSA-N 1 0 323.396 3.026 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC(=O)Nc2cccc(F)c2)cc1 ZINC000051188860 400696119 /nfs/dbraw/zinc/69/61/19/400696119.db2.gz LKYGCHHAJYTHSU-UHFFFAOYSA-N 1 0 314.360 3.119 10 30 DGEERO C#CC[C@@H]([NH3+])c1cc(Br)c(Br)s1 ZINC000168567615 400758140 /nfs/dbraw/zinc/75/81/40/400758140.db2.gz WGLAPDJLYMMGPV-ZCFIWIBFSA-N 1 0 309.026 3.296 10 30 DGEERO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C1 ZINC000593636893 400884891 /nfs/dbraw/zinc/88/48/91/400884891.db2.gz OZDQYADBJPYLPK-JKSUJKDBSA-N 1 0 323.477 3.459 10 30 DGEERO C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000624788554 400952140 /nfs/dbraw/zinc/95/21/40/400952140.db2.gz VSEJKLZFNMTTME-NVXWUHKLSA-N 1 0 305.466 3.001 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000629588832 400984918 /nfs/dbraw/zinc/98/49/18/400984918.db2.gz PKJUKXBIYZSMHA-OAHLLOKOSA-N 1 0 311.853 3.409 10 30 DGEERO COc1ccccc1/C=C\C[NH2+]CCOc1ccc(C#N)cc1 ZINC000255066857 401101995 /nfs/dbraw/zinc/10/19/95/401101995.db2.gz IVTACNHGGULJPU-XQRVVYSFSA-N 1 0 308.381 3.249 10 30 DGEERO C=CCN(Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000261400999 401111475 /nfs/dbraw/zinc/11/14/75/401111475.db2.gz GMWKRWMFVDCXDU-NRFANRHFSA-N 1 0 324.468 3.168 10 30 DGEERO C=CC[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625698656 401184217 /nfs/dbraw/zinc/18/42/17/401184217.db2.gz UWYBPJANWVZBPM-ZYSHUDEJSA-N 1 0 312.457 3.225 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000625700578 401185366 /nfs/dbraw/zinc/18/53/66/401185366.db2.gz KSGYMYFUOXYGHH-NSHDSACASA-N 1 0 305.328 3.413 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(SC)cc2)C1 ZINC000625701893 401185685 /nfs/dbraw/zinc/18/56/85/401185685.db2.gz LZDBKAXWTNTPEZ-CABCVRRESA-N 1 0 307.459 3.046 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000625702241 401186416 /nfs/dbraw/zinc/18/64/16/401186416.db2.gz FXEPEODZHTWYIZ-AWEZNQCLSA-N 1 0 306.837 3.244 10 30 DGEERO C=CC[C@H]1CCN(CC(=O)Nc2ccccc2Br)C1 ZINC000625702306 401186743 /nfs/dbraw/zinc/18/67/43/401186743.db2.gz WZLNTGRXDYFRPL-LBPRGKRZSA-N 1 0 323.234 3.286 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000625703954 401188401 /nfs/dbraw/zinc/18/84/01/401188401.db2.gz QFHCUDUXHIHHPH-GJZGRUSLSA-N 1 0 304.409 3.243 10 30 DGEERO C=CCOCCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631174491 401416181 /nfs/dbraw/zinc/41/61/81/401416181.db2.gz NDTOLZMLXFJWLZ-UHFFFAOYSA-N 1 0 319.630 3.180 10 30 DGEERO C=CCC[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000627003334 401431879 /nfs/dbraw/zinc/43/18/79/401431879.db2.gz MYUWZHGECQGUEZ-OIISXLGYSA-N 1 0 301.434 3.134 10 30 DGEERO C=CCC[C@@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000627003534 401432087 /nfs/dbraw/zinc/43/20/87/401432087.db2.gz RCNUCNZKBIAECS-SJORKVTESA-N 1 0 313.445 3.278 10 30 DGEERO C=CCC[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1CC)c1ccccc1 ZINC000627002558 401432210 /nfs/dbraw/zinc/43/22/10/401432210.db2.gz BBIWEVACWOJAFE-YESZJQIVSA-N 1 0 301.434 3.134 10 30 DGEERO CC(=O)c1ccc(C#N)cc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000631446301 401471484 /nfs/dbraw/zinc/47/14/84/401471484.db2.gz WHWHKGHTOIDWOE-UHFFFAOYSA-N 1 0 311.429 3.216 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCCOC2)cc1OC ZINC000623407957 401510176 /nfs/dbraw/zinc/51/01/76/401510176.db2.gz BEHGCOSKAZHSNP-CYBMUJFWSA-N 1 0 311.809 3.182 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@@H](C)CO)cc1OC ZINC000623427509 401514951 /nfs/dbraw/zinc/51/49/51/401514951.db2.gz BMHIMXDSBIZMBM-NWDGAFQWSA-N 1 0 313.825 3.020 10 30 DGEERO C=CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCC ZINC000628058405 401518371 /nfs/dbraw/zinc/51/83/71/401518371.db2.gz JRPFJLTWRRRXBK-QZTJIDSGSA-N 1 0 300.446 3.227 10 30 DGEERO C=CCCn1cc(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)nn1 ZINC000623679492 401567943 /nfs/dbraw/zinc/56/79/43/401567943.db2.gz ZVLDFMQOOGXZLA-SAABIXHNSA-N 1 0 320.481 3.318 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000623592512 401552110 /nfs/dbraw/zinc/55/21/10/401552110.db2.gz OZNZTVBUPKCFHY-UHFFFAOYSA-N 1 0 319.371 3.362 10 30 DGEERO C=C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000628965192 401651206 /nfs/dbraw/zinc/65/12/06/401651206.db2.gz KOKIXOJGUYEKQG-QFBILLFUSA-N 1 0 312.457 3.479 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000624375031 401656515 /nfs/dbraw/zinc/65/65/15/401656515.db2.gz DVZROVWQRMOFGX-HZPDHXFCSA-N 1 0 305.466 3.001 10 30 DGEERO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1C[C@H]1C ZINC000629107817 401663839 /nfs/dbraw/zinc/66/38/39/401663839.db2.gz YTJGXRNSEVMJNB-HUUCEWRRSA-N 1 0 320.506 3.241 10 30 DGEERO C[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000173817908 164707668 /nfs/dbraw/zinc/70/76/68/164707668.db2.gz PJTBDXHFXIPROZ-CXAGYDPISA-N 1 0 305.381 3.335 10 30 DGEERO CC(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000185365232 165001665 /nfs/dbraw/zinc/00/16/65/165001665.db2.gz IBRRDBYEWTXKBF-MRXNPFEDSA-N 1 0 315.461 3.131 10 30 DGEERO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191386858 165248464 /nfs/dbraw/zinc/24/84/64/165248464.db2.gz SFLOIOXUJDPVIQ-WMLDXEAASA-N 1 0 309.413 3.283 10 30 DGEERO N#Cc1cccc(OCC[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195356069 165366899 /nfs/dbraw/zinc/36/68/99/165366899.db2.gz QRVOVHXZKSPDGU-HNNXBMFYSA-N 1 0 313.426 3.273 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000228719894 165390196 /nfs/dbraw/zinc/39/01/96/165390196.db2.gz CJNLAFYBKSLVFU-DOTOQJQBSA-N 1 0 304.821 3.339 10 30 DGEERO CCC[NH+]1CCC(CNC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000171737797 432167076 /nfs/dbraw/zinc/16/70/76/432167076.db2.gz KZKFHGHMDIGJNF-UHFFFAOYSA-N 1 0 314.433 3.110 10 30 DGEERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)cn1 ZINC000128419578 227009452 /nfs/dbraw/zinc/00/94/52/227009452.db2.gz JEZBVZKZNXAVHN-QGZVFWFLSA-N 1 0 324.428 3.092 10 30 DGEERO [NH2+]=C(NCCC1=CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000133905013 227038551 /nfs/dbraw/zinc/03/85/51/227038551.db2.gz NINYWYBBDHEMIA-UHFFFAOYSA-N 1 0 301.390 3.075 10 30 DGEERO [NH2+]=C(NCCc1csc(-c2ccc(Cl)cc2)n1)NC1CC1 ZINC000179392607 228350742 /nfs/dbraw/zinc/35/07/42/228350742.db2.gz ANSCUVKFBBHGII-UHFFFAOYSA-N 1 0 320.849 3.073 10 30 DGEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC000328787147 228913549 /nfs/dbraw/zinc/91/35/49/228913549.db2.gz WXTXZSDANAANKD-QWHCGFSZSA-N 1 0 307.438 3.344 10 30 DGEERO C[C@H](NC(=O)C1CCCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330114229 228977647 /nfs/dbraw/zinc/97/76/47/228977647.db2.gz SQBKNTMRYGVRJT-JEYLPNPQSA-N 1 0 321.465 3.495 10 30 DGEERO CSC1(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CCOCC1 ZINC000358587959 270004099 /nfs/dbraw/zinc/00/40/99/270004099.db2.gz LIWAVDQBBOBPQA-GFCCVEGCSA-N 1 0 308.422 3.260 10 30 DGEERO C[C@@]1(CNc2cnccc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000397912223 267115730 /nfs/dbraw/zinc/11/57/30/267115730.db2.gz IFBTZBNGHXCYQK-IBGZPJMESA-N 1 0 306.413 3.420 10 30 DGEERO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358576444 267164853 /nfs/dbraw/zinc/16/48/53/267164853.db2.gz UDZXRZKXSZDXIS-NXEZZACHSA-N 1 0 304.287 3.315 10 30 DGEERO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358580445 267322402 /nfs/dbraw/zinc/32/24/02/267322402.db2.gz XVPBEARQWUYYNB-AWEZNQCLSA-N 1 0 300.381 3.252 10 30 DGEERO N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000378614625 268127568 /nfs/dbraw/zinc/12/75/68/268127568.db2.gz GRUFCNWOZWODNP-MOPGFXCFSA-N 1 0 318.424 3.197 10 30 DGEERO N#Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000366750622 268302335 /nfs/dbraw/zinc/30/23/35/268302335.db2.gz XJFCMPZUYJNXNU-HNNXBMFYSA-N 1 0 317.458 3.147 10 30 DGEERO Cc1cc(C)c2ncc(C#N)c(N3CCC([NH+](C)C)CC3)c2c1 ZINC000301362103 274688393 /nfs/dbraw/zinc/68/83/93/274688393.db2.gz QRJLJXDPCJLQOF-UHFFFAOYSA-N 1 0 308.429 3.254 10 30 DGEERO N#Cc1cccnc1N1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000101543845 274928656 /nfs/dbraw/zinc/92/86/56/274928656.db2.gz DCSFLSIOJNVDLO-IBGZPJMESA-N 1 0 318.424 3.153 10 30 DGEERO C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159640971 275382043 /nfs/dbraw/zinc/38/20/43/275382043.db2.gz SHKSQBYAVFPTLQ-KXBFYZLASA-N 1 0 310.441 3.086 10 30 DGEERO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1C ZINC000442875929 276287681 /nfs/dbraw/zinc/28/76/81/276287681.db2.gz XFFVFHSSLUQBRR-LMCYLSQRSA-N 1 0 306.450 3.274 10 30 DGEERO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000328623777 277262914 /nfs/dbraw/zinc/26/29/14/277262914.db2.gz JNNDWDDTFYGZKQ-OAGGEKHMSA-N 1 0 315.417 3.175 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCCNC2=O)C1 ZINC000330315918 277395020 /nfs/dbraw/zinc/39/50/20/277395020.db2.gz PUIUQUMQYJCAHP-RHSMWYFYSA-N 1 0 309.454 3.068 10 30 DGEERO C#CCCOc1ccc(C[NH2+][C@H](CN(C)C)c2ccccc2)cc1 ZINC000113315826 431342597 /nfs/dbraw/zinc/34/25/97/431342597.db2.gz UXHOXWXITLUQPE-OAQYLSRUSA-N 1 0 322.452 3.481 10 30 DGEERO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000008247903 431386527 /nfs/dbraw/zinc/38/65/27/431386527.db2.gz YDHSPRBDTWHIOY-LLVKDONJSA-N 1 0 315.323 3.126 10 30 DGEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116289580 431499370 /nfs/dbraw/zinc/49/93/70/431499370.db2.gz DZIXXFURIDJGEW-MRXNPFEDSA-N 1 0 309.369 3.317 10 30 DGEERO CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)[NH+]1CCCCC1 ZINC000329101814 280133853 /nfs/dbraw/zinc/13/38/53/280133853.db2.gz FGUIASKJQMQPOI-DJIMGWMZSA-N 1 0 321.465 3.351 10 30 DGEERO C=CC[N@@H+](C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000121576817 431802423 /nfs/dbraw/zinc/80/24/23/431802423.db2.gz WNGWHYQYXKXJHY-LJQANCHMSA-N 1 0 311.425 3.271 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000121667327 431802682 /nfs/dbraw/zinc/80/26/82/431802682.db2.gz WKEVQCCVFMSATM-HNNXBMFYSA-N 1 0 323.506 3.422 10 30 DGEERO N#Cc1csc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000088755376 431859563 /nfs/dbraw/zinc/85/95/63/431859563.db2.gz STVPZTULZRMRSK-LBPRGKRZSA-N 1 0 319.380 3.266 10 30 DGEERO CCOCc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000123271198 431859592 /nfs/dbraw/zinc/85/95/92/431859592.db2.gz BFUVMGKYOWZJLD-UHFFFAOYSA-N 1 0 320.396 3.032 10 30 DGEERO N#C[C@H]1CCC[C@H]1NCc1cc(Br)cc2c1OCC2 ZINC000122406259 431831224 /nfs/dbraw/zinc/83/12/24/431831224.db2.gz MJTZZEUFHCNQFK-BXUZGUMPSA-N 1 0 321.218 3.166 10 30 DGEERO C=C(C)COc1cc(C[N@H+](C[C@H](C)O)C(C)C)ccc1OC ZINC000093145744 431912875 /nfs/dbraw/zinc/91/28/75/431912875.db2.gz XVMYBCVRBXBSIY-HNNXBMFYSA-N 1 0 307.434 3.241 10 30 DGEERO CC(C)(CCC#N)C[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000093385978 431914908 /nfs/dbraw/zinc/91/49/08/431914908.db2.gz FZNDOWHALYITDO-UHFFFAOYSA-N 1 0 319.474 3.226 10 30 DGEERO C=CCOc1ccc(C[NH+]2CCC(OCCCOC)CC2)cc1 ZINC000093561260 431915728 /nfs/dbraw/zinc/91/57/28/431915728.db2.gz QJYCVTDNKLCOSS-UHFFFAOYSA-N 1 0 319.445 3.269 10 30 DGEERO C=CCOc1ccc(CN2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000093692751 431917829 /nfs/dbraw/zinc/91/78/29/431917829.db2.gz GOHQERGITXUPRH-GOSISDBHSA-N 1 0 302.462 3.415 10 30 DGEERO CCCCCCCCC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000124307626 431889530 /nfs/dbraw/zinc/88/95/30/431889530.db2.gz FIWXBRDUAOVFHN-QGZVFWFLSA-N 1 0 324.509 3.449 10 30 DGEERO CCCCCCCCC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000124307852 431889888 /nfs/dbraw/zinc/88/98/88/431889888.db2.gz FIWXBRDUAOVFHN-KRWDZBQOSA-N 1 0 324.509 3.449 10 30 DGEERO C=CCOc1ccc(CN2CCC([NH+](C)C)CC2)cc1Cl ZINC000091669263 431905296 /nfs/dbraw/zinc/90/52/96/431905296.db2.gz MURCHOKIVPJYJA-UHFFFAOYSA-N 1 0 308.853 3.431 10 30 DGEERO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000102497038 431994683 /nfs/dbraw/zinc/99/46/83/431994683.db2.gz AKGKOJXDNANDPI-DJIMGWMZSA-N 1 0 311.429 3.397 10 30 DGEERO C=C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248062661 432266489 /nfs/dbraw/zinc/26/64/89/432266489.db2.gz PIZMOBZUZVCDMW-BHIYHBOVSA-N 1 0 312.457 3.289 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000248733553 432314035 /nfs/dbraw/zinc/31/40/35/432314035.db2.gz DJGJQULMSGTUFL-QANKJYHBSA-N 1 0 300.402 3.197 10 30 DGEERO CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000248758737 432315596 /nfs/dbraw/zinc/31/55/96/432315596.db2.gz GJIQSTXVMPSATE-AQNCSGRASA-N 1 0 319.399 3.382 10 30 DGEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000252931055 432389151 /nfs/dbraw/zinc/38/91/51/432389151.db2.gz UHTJOEOZNFTHLQ-BBRMVZONSA-N 1 0 303.837 3.270 10 30 DGEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000193113200 432451098 /nfs/dbraw/zinc/45/10/98/432451098.db2.gz CTBPHKPHTSBESP-HZMBPMFUSA-N 1 0 313.854 3.107 10 30 DGEERO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000193123818 432451652 /nfs/dbraw/zinc/45/16/52/432451652.db2.gz HRPRTAWQMXVAAR-HIFRSBDPSA-N 1 0 320.458 3.060 10 30 DGEERO COc1ccc(C#N)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000153524396 432417880 /nfs/dbraw/zinc/41/78/80/432417880.db2.gz NZXIPJJXEYJNLI-GOSISDBHSA-N 1 0 314.429 3.490 10 30 DGEERO C=C(C)C[NH+]1CCC(NCc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000175993196 432485707 /nfs/dbraw/zinc/48/57/07/432485707.db2.gz NFJORHOIDDXQPU-UHFFFAOYSA-N 1 0 310.445 3.207 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000185518010 432507362 /nfs/dbraw/zinc/50/73/62/432507362.db2.gz HJKAHCKGGYNLKJ-CQSZACIVSA-N 1 0 317.433 3.118 10 30 DGEERO CN(c1ccc(C#N)c(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261956570 432463317 /nfs/dbraw/zinc/46/33/17/432463317.db2.gz OAQHFFZMUTXZCL-ONXXMXGDSA-N 1 0 309.335 3.296 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000185919597 432546474 /nfs/dbraw/zinc/54/64/74/432546474.db2.gz KJZYOVIFJVRCGK-JKSUJKDBSA-N 1 0 315.461 3.326 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccc(Br)cc1SC ZINC000273510536 432606398 /nfs/dbraw/zinc/60/63/98/432606398.db2.gz QTQXEPIKQXGFGQ-GFCCVEGCSA-N 1 0 316.264 3.198 10 30 DGEERO C[C@H]1C[C@@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000177292110 432608971 /nfs/dbraw/zinc/60/89/71/432608971.db2.gz IIQJTAUYKCECTC-YOEHRIQHSA-N 1 0 324.390 3.471 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-n2cncn2)cc1 ZINC000176942428 432567880 /nfs/dbraw/zinc/56/78/80/432567880.db2.gz TUKZEIDNKKXZTR-GFCCVEGCSA-N 1 0 309.398 3.051 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000186708357 432624527 /nfs/dbraw/zinc/62/45/27/432624527.db2.gz PNNNQKPXUOYZDX-MWLCHTKSSA-N 1 0 302.187 3.176 10 30 DGEERO CC(C)(C)[NH+]1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1 ZINC000208796415 432639222 /nfs/dbraw/zinc/63/92/22/432639222.db2.gz IVXXNLVVNNKUGS-UHFFFAOYSA-N 1 0 315.537 3.231 10 30 DGEERO C=CCOc1ccc(CNC[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000236697226 432757929 /nfs/dbraw/zinc/75/79/29/432757929.db2.gz MOLHHSIDXAAINY-LJQANCHMSA-N 1 0 302.462 3.461 10 30 DGEERO C=CC[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000189057634 432762297 /nfs/dbraw/zinc/76/22/97/432762297.db2.gz XYTHJENKDREOGD-LJQANCHMSA-N 1 0 312.457 3.433 10 30 DGEERO COc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)cc1C#N ZINC000189237001 432771758 /nfs/dbraw/zinc/77/17/58/432771758.db2.gz WXAGDCQKYHRZBL-PBHICJAKSA-N 1 0 302.418 3.108 10 30 DGEERO Cc1ccc(NCc2ccccc2C[NH+]2CCCC2)nc1C#N ZINC000189594002 432801940 /nfs/dbraw/zinc/80/19/40/432801940.db2.gz AYEZOSGQCVWXCX-UHFFFAOYSA-N 1 0 306.413 3.470 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1OC ZINC000277633438 432866137 /nfs/dbraw/zinc/86/61/37/432866137.db2.gz CHVZWNHEPZQSJJ-ZBFHGGJFSA-N 1 0 305.418 3.165 10 30 DGEERO C=C(CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000288017381 432883607 /nfs/dbraw/zinc/88/36/07/432883607.db2.gz NKDHPEKEHHLTEW-AYHJJNSGSA-N 1 0 313.445 3.014 10 30 DGEERO Cc1nc(CC2CC2)oc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330110635 432893576 /nfs/dbraw/zinc/89/35/76/432893576.db2.gz QQYLGQOZOVTHOI-UHFFFAOYSA-N 1 0 317.433 3.257 10 30 DGEERO C=C(C)CCc1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000289252599 432937639 /nfs/dbraw/zinc/93/76/39/432937639.db2.gz PZYOPDIFZMYZGU-UHFFFAOYSA-N 1 0 301.390 3.186 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000330242013 432899485 /nfs/dbraw/zinc/89/94/85/432899485.db2.gz FYNJMVBGRQAPRB-AMFBXLIHSA-N 1 0 310.344 3.098 10 30 DGEERO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000330240494 432899645 /nfs/dbraw/zinc/89/96/45/432899645.db2.gz FFYPBSYFYKRZBO-IAOVAPTHSA-N 1 0 302.418 3.437 10 30 DGEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000280585448 433096693 /nfs/dbraw/zinc/09/66/93/433096693.db2.gz HXZFMRUERUUABQ-BXKDBHETSA-N 1 0 306.353 3.233 10 30 DGEERO N#Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000374600430 433233218 /nfs/dbraw/zinc/23/32/18/433233218.db2.gz BOKGTZRASSCKHP-NSISKUIASA-N 1 0 321.424 3.151 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC000425601705 433316437 /nfs/dbraw/zinc/31/64/37/433316437.db2.gz GUWDNWAQJICMMA-RDJZCZTQSA-N 1 0 300.446 3.498 10 30 DGEERO C=CCCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000448028513 433350919 /nfs/dbraw/zinc/35/09/19/433350919.db2.gz DDJZTUYWHHFBDF-GOEBONIOSA-N 1 0 321.490 3.396 10 30 DGEERO C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036289 433354727 /nfs/dbraw/zinc/35/47/27/433354727.db2.gz XDXWOCVZDPGCBY-GUYCJALGSA-N 1 0 303.425 3.468 10 30 DGEERO C=CCC1(CNC(=O)c2ccc(C[NH+](C)C)nc2)CCCC1 ZINC000456507823 433695762 /nfs/dbraw/zinc/69/57/62/433695762.db2.gz ORPWWPGAWXMHKX-UHFFFAOYSA-N 1 0 301.434 3.010 10 30 DGEERO C=CCN1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284558054 433898374 /nfs/dbraw/zinc/89/83/74/433898374.db2.gz YEJWNXIMDUBNJJ-CDHQVMDDSA-N 1 0 314.473 3.427 10 30 DGEERO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000449934141 433880130 /nfs/dbraw/zinc/88/01/30/433880130.db2.gz HTFGHAYTANVPFS-DZGCQCFKSA-N 1 0 306.475 3.459 10 30 DGEERO Cc1cc(C#N)cc(NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000340026418 433893335 /nfs/dbraw/zinc/89/33/35/433893335.db2.gz ZOBBJWSPGOTLMM-UHFFFAOYSA-N 1 0 320.440 3.586 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000294012355 433964543 /nfs/dbraw/zinc/96/45/43/433964543.db2.gz DIJKTYLODIYQSA-SCZZXKLOSA-N 1 0 302.237 3.025 10 30 DGEERO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000294369676 434104922 /nfs/dbraw/zinc/10/49/22/434104922.db2.gz QUOKQKGLKDWDCH-CYBMUJFWSA-N 1 0 321.417 3.230 10 30 DGEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3sccc3C)C2)n1 ZINC000328645537 434292469 /nfs/dbraw/zinc/29/24/69/434292469.db2.gz ZTQRVJAIAYVBQX-ZDUSSCGKSA-N 1 0 304.419 3.308 10 30 DGEERO CC(=O)Nc1ccn([C@@H]2CCN(Cc3ncoc3C(C)C)C2)n1 ZINC000328620886 434292748 /nfs/dbraw/zinc/29/27/48/434292748.db2.gz HIDHIWIUZJTNHB-CYBMUJFWSA-N 1 0 317.393 3.049 10 30 DGEERO CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nc2C2CCCCC2)C1 ZINC000328705889 434302488 /nfs/dbraw/zinc/30/24/88/434302488.db2.gz AEPWXTJHGNZTCN-HNNXBMFYSA-N 1 0 318.465 3.257 10 30 DGEERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1CCCCNC1=O ZINC000328754609 434304572 /nfs/dbraw/zinc/30/45/72/434304572.db2.gz DURMRGIBARJIKX-ILXRZTDVSA-N 1 0 309.454 3.210 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329317685 434389396 /nfs/dbraw/zinc/38/93/96/434389396.db2.gz DEZGJNOFFZCUOE-CVEARBPZSA-N 1 0 323.481 3.458 10 30 DGEERO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1F ZINC000358557383 434397033 /nfs/dbraw/zinc/39/70/33/434397033.db2.gz BNAFSFKDZASREV-LBPRGKRZSA-N 1 0 312.344 3.319 10 30 DGEERO C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(C#N)cc1F ZINC000358570708 434398661 /nfs/dbraw/zinc/39/86/61/434398661.db2.gz NYLGTFCLODMZQN-LLVKDONJSA-N 1 0 317.330 3.232 10 30 DGEERO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(C#N)cc1F ZINC000358580441 434399258 /nfs/dbraw/zinc/39/92/58/434399258.db2.gz XVHDNNIHLIJDOE-ZFWWWQNUSA-N 1 0 318.392 3.076 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(C#N)cc1F ZINC000358576475 434399383 /nfs/dbraw/zinc/39/93/83/434399383.db2.gz UDZXRZKXSZDXIS-VHSXEESVSA-N 1 0 304.287 3.315 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(C#N)cc1F ZINC000358599167 434399517 /nfs/dbraw/zinc/39/95/17/434399517.db2.gz ZHINEVXNVFGBBN-LLVKDONJSA-N 1 0 312.348 3.039 10 30 DGEERO C=C(Br)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000368065722 434565712 /nfs/dbraw/zinc/56/57/12/434565712.db2.gz UUIRGWWMTKBLQP-KBPBESRZSA-N 1 0 313.214 3.069 10 30 DGEERO C=CCOc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)cc1 ZINC000423975298 434594603 /nfs/dbraw/zinc/59/46/03/434594603.db2.gz LSVWYCMFXOPEJW-LJQANCHMSA-N 1 0 324.424 3.244 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000424170871 434643387 /nfs/dbraw/zinc/64/33/87/434643387.db2.gz KAOQXILTDSSZOI-HKUYNNGSSA-N 1 0 324.424 3.341 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000424172327 434644973 /nfs/dbraw/zinc/64/49/73/434644973.db2.gz LTFBXERHWJJXKQ-BBRMVZONSA-N 1 0 317.458 3.262 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000424179359 434647467 /nfs/dbraw/zinc/64/74/67/434647467.db2.gz YHBGUFAQCJQUDU-IRXDYDNUSA-N 1 0 317.429 3.323 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000424294378 434679674 /nfs/dbraw/zinc/67/96/74/434679674.db2.gz KTXMKEVOOGOQNB-KANFNMMFSA-N 1 0 301.430 3.335 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000424289706 434679751 /nfs/dbraw/zinc/67/97/51/434679751.db2.gz ABQJZTMBDWDDCW-SNRMKQJTSA-N 1 0 312.388 3.491 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000424298747 434682818 /nfs/dbraw/zinc/68/28/18/434682818.db2.gz TVVSVXJZDWNKSL-WDSOQIARSA-N 1 0 301.430 3.197 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CC(=O)NC)c2ccccc2)cc1 ZINC000360774068 434690947 /nfs/dbraw/zinc/69/09/47/434690947.db2.gz WKBAQEKNFHUWEC-IBGZPJMESA-N 1 0 324.424 3.218 10 30 DGEERO CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cccs1 ZINC000442791157 434771514 /nfs/dbraw/zinc/77/15/14/434771514.db2.gz NEMNLSZDAZZJOG-KCYZZUKISA-N 1 0 303.475 3.413 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000361115193 434802114 /nfs/dbraw/zinc/80/21/14/434802114.db2.gz WOPNXSGCWBYWKL-VQIMIIECSA-N 1 0 317.429 3.021 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000412043187 434861513 /nfs/dbraw/zinc/86/15/13/434861513.db2.gz PMQQOLSJUADGJU-IEBWSBKVSA-N 1 0 316.420 3.028 10 30 DGEERO C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000372384868 434821398 /nfs/dbraw/zinc/82/13/98/434821398.db2.gz MZVKIOHDLLCADO-HZPDHXFCSA-N 1 0 306.450 3.121 10 30 DGEERO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000453246283 434840686 /nfs/dbraw/zinc/84/06/86/434840686.db2.gz MZCBFLITIUELDD-BLLLJJGKSA-N 1 0 316.351 3.091 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000464057511 434975784 /nfs/dbraw/zinc/97/57/84/434975784.db2.gz NWKNJKAXGHREBF-YQVWRLOYSA-N 1 0 306.494 3.212 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000527924142 435016709 /nfs/dbraw/zinc/01/67/09/435016709.db2.gz HCZPJAMRXORVPI-FUHWJXTLSA-N 1 0 301.478 3.484 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527911941 435017159 /nfs/dbraw/zinc/01/71/59/435017159.db2.gz UNNYDBNQYDZBDZ-ALKREAHSSA-N 1 0 311.429 3.329 10 30 DGEERO C=CCC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)C1CC1 ZINC000477949800 435285259 /nfs/dbraw/zinc/28/52/59/435285259.db2.gz XRZPBRAANNPASV-KSSFIOAISA-N 1 0 309.400 3.450 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000567403713 435314152 /nfs/dbraw/zinc/31/41/52/435314152.db2.gz RAKVROYLOYOFEU-HOTGVXAUSA-N 1 0 304.438 3.222 10 30 DGEERO C=CCCCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000568187508 435403359 /nfs/dbraw/zinc/40/33/59/435403359.db2.gz DBMGGCWJGPVWJS-UHFFFAOYSA-N 1 0 307.482 3.250 10 30 DGEERO C[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(C#N)cc1F ZINC000480669515 435390460 /nfs/dbraw/zinc/39/04/60/435390460.db2.gz BRUDTGIVUOBBMH-CYBMUJFWSA-N 1 0 322.387 3.477 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000537693331 435463874 /nfs/dbraw/zinc/46/38/74/435463874.db2.gz URAVPXLPHXPERO-QZTJIDSGSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000537186139 435428856 /nfs/dbraw/zinc/42/88/56/435428856.db2.gz IZFHEIHEYQHDHY-RYQLBKOJSA-N 1 0 315.461 3.476 10 30 DGEERO C=CCCCCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000569986450 435578297 /nfs/dbraw/zinc/57/82/97/435578297.db2.gz WRFIPJYZQGDKOU-UHFFFAOYSA-N 1 0 309.498 3.496 10 30 DGEERO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000571134492 435680548 /nfs/dbraw/zinc/68/05/48/435680548.db2.gz LMMHJWRSZGXJCO-UHFFFAOYSA-N 1 0 317.481 3.044 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(-n2ccnn2)cc1 ZINC000179098442 312797308 /nfs/dbraw/zinc/79/73/08/312797308.db2.gz YIDJEDMVZNNCKX-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO CC(=O)c1ccc(C#N)cc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000542521576 314082106 /nfs/dbraw/zinc/08/21/06/314082106.db2.gz VUHPRFBWAXMVRF-UHFFFAOYSA-N 1 0 313.445 3.317 10 30 DGEERO CC1CC[NH+](Cc2ccc(CNc3ccncc3C#N)cc2)CC1 ZINC000545947907 314277716 /nfs/dbraw/zinc/27/77/16/314277716.db2.gz VDJLDEMMQNXMLL-UHFFFAOYSA-N 1 0 320.440 3.219 10 30 DGEERO CCC(CC)(C[NH2+][C@H](C)c1ccc(C#N)cc1F)C(=O)OC ZINC000546166565 314293969 /nfs/dbraw/zinc/29/39/69/314293969.db2.gz LQXSLQMCDMWAAP-GFCCVEGCSA-N 1 0 306.381 3.327 10 30 DGEERO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(-n2ccnn2)cc1 ZINC000182004106 323279474 /nfs/dbraw/zinc/27/94/74/323279474.db2.gz UJWCRJGYSURQRH-CYBMUJFWSA-N 1 0 321.359 3.129 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000298059273 331626571 /nfs/dbraw/zinc/62/65/71/331626571.db2.gz DWXUUGYSQDZDSB-CABCVRRESA-N 1 0 304.434 3.159 10 30 DGEERO C=CCCCCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000583451439 332423693 /nfs/dbraw/zinc/42/36/93/332423693.db2.gz UXBVVTJVKDEFBN-OAHLLOKOSA-N 1 0 324.490 3.348 10 30 DGEERO C=CCc1cc(C[NH2+][C@H](CO)[C@@H](C)CCC)cc(OC)c1O ZINC000563254381 333512866 /nfs/dbraw/zinc/51/28/66/333512866.db2.gz CAIJVJLTROFDGA-XJKSGUPXSA-N 1 0 307.434 3.016 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H](CO)[C@H](C)CCC)cc(OC)c1O ZINC000563254379 333513052 /nfs/dbraw/zinc/51/30/52/333513052.db2.gz CAIJVJLTROFDGA-CJNGLKHVSA-N 1 0 307.434 3.016 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000101583042 334332059 /nfs/dbraw/zinc/33/20/59/334332059.db2.gz IRGRKKOIDODMDR-JKSUJKDBSA-N 1 0 318.461 3.453 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000185064208 337202733 /nfs/dbraw/zinc/20/27/33/337202733.db2.gz KNWAAIJFZNLFTI-HOTGVXAUSA-N 1 0 300.446 3.152 10 30 DGEERO CCOC(=O)c1csc(C2CC[NH+](CCCCC#N)CC2)n1 ZINC000191567954 337299036 /nfs/dbraw/zinc/29/90/36/337299036.db2.gz HJDFRERGLYRWOC-UHFFFAOYSA-N 1 0 321.446 3.193 10 30 DGEERO Cc1cc(C)cc(NC(=[NH2+])NCc2nnc(C(C)C)s2)c1 ZINC000262467224 337618403 /nfs/dbraw/zinc/61/84/03/337618403.db2.gz YJQIJKWJBOARPD-UHFFFAOYSA-N 1 0 303.435 3.205 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c1ccco1 ZINC000509566342 340273644 /nfs/dbraw/zinc/27/36/44/340273644.db2.gz DYVIFFPHRNSQGY-LSDHHAIUSA-N 1 0 307.438 3.316 10 30 DGEERO C=CCC[C@H](CC)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510993947 340317459 /nfs/dbraw/zinc/31/74/59/340317459.db2.gz PARPSCMKZVQKAG-IRXDYDNUSA-N 1 0 316.445 3.001 10 30 DGEERO C=CC[C@@H](CO)C[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000542486905 341009812 /nfs/dbraw/zinc/00/98/12/341009812.db2.gz VNGSOHHTPNOIHX-KLHKWILBSA-N 1 0 303.446 3.496 10 30 DGEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000246115854 341327320 /nfs/dbraw/zinc/32/73/20/341327320.db2.gz CSZAMPNLSKHZHA-YOEHRIQHSA-N 1 0 322.374 3.225 10 30 DGEERO C=CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000249130054 341394393 /nfs/dbraw/zinc/39/43/93/341394393.db2.gz DHVSMGLSQDURRP-ZWKOTPCHSA-N 1 0 300.446 3.289 10 30 DGEERO C#CCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156720426 341625611 /nfs/dbraw/zinc/62/56/11/341625611.db2.gz OFZUITUFCWXZTM-JKSUJKDBSA-N 1 0 308.466 3.415 10 30 DGEERO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(-n2cncn2)cc1 ZINC000442870504 533838979 /nfs/dbraw/zinc/83/89/79/533838979.db2.gz DFYHCXFAIDIDOZ-FHERZECASA-N 1 0 309.417 3.248 10 30 DGEERO C=CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454878944 534726307 /nfs/dbraw/zinc/72/63/07/534726307.db2.gz UNDAGUGCENCRKH-QGZVFWFLSA-N 1 0 315.461 3.116 10 30 DGEERO C[NH+]=C(NCc1ncccc1C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000157245208 526391334 /nfs/dbraw/zinc/39/13/34/526391334.db2.gz DTRPUTQGHQLRLJ-AWEZNQCLSA-N 1 0 314.408 3.264 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181541002 526525840 /nfs/dbraw/zinc/52/58/40/526525840.db2.gz SXQLKRZKWZDSBF-MRXNPFEDSA-N 1 0 319.405 3.060 10 30 DGEERO C=C(C)C[N@@H+](CCn1cc(C)cn1)Cc1cnn(C(C)C)c1 ZINC000352904164 526552928 /nfs/dbraw/zinc/55/29/28/526552928.db2.gz SXIOWXBSVKRODU-UHFFFAOYSA-N 1 0 301.438 3.047 10 30 DGEERO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000348639803 526558262 /nfs/dbraw/zinc/55/82/62/526558262.db2.gz ZMCGMXJNRCGPHU-CVEARBPZSA-N 1 0 307.434 3.355 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N(CC)C2CC(C)(C)C2)CC1 ZINC000413248633 526583633 /nfs/dbraw/zinc/58/36/33/526583633.db2.gz XPXAKNZGWHPWIY-UHFFFAOYSA-N 1 0 307.482 3.247 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000162924501 526616637 /nfs/dbraw/zinc/61/66/37/526616637.db2.gz CJNLAFYBKSLVFU-WBVHZDCISA-N 1 0 304.821 3.339 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000343854287 526714402 /nfs/dbraw/zinc/71/44/02/526714402.db2.gz IRSIJMAKKNDWRK-HNNXBMFYSA-N 1 0 316.445 3.184 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185392736 526715099 /nfs/dbraw/zinc/71/50/99/526715099.db2.gz ZCPDZXGOLSFSFI-INIZCTEOSA-N 1 0 315.461 3.369 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000435752648 526802204 /nfs/dbraw/zinc/80/22/04/526802204.db2.gz YZASNDWFICXSQZ-HOCLYGCPSA-N 1 0 315.442 3.276 10 30 DGEERO C=C(C)[C@H]([NH2+][C@H](CC)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000340502637 526822025 /nfs/dbraw/zinc/82/20/25/526822025.db2.gz MCHIKOWNXFGVAB-CJNGLKHVSA-N 1 0 306.360 3.242 10 30 DGEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000435752646 526834662 /nfs/dbraw/zinc/83/46/62/526834662.db2.gz YZASNDWFICXSQZ-GDBMZVCRSA-N 1 0 315.442 3.276 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000348670137 526865114 /nfs/dbraw/zinc/86/51/14/526865114.db2.gz IDDCQRDPBRPURA-UHFFFAOYSA-N 1 0 309.413 3.274 10 30 DGEERO C=CCOc1ccc(C[NH2+]C2(CCO)CCCC2)cc1OC ZINC000285577782 526884219 /nfs/dbraw/zinc/88/42/19/526884219.db2.gz TTYJUSHNVPVNFU-UHFFFAOYSA-N 1 0 305.418 3.045 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000344363562 526890382 /nfs/dbraw/zinc/89/03/82/526890382.db2.gz DMEWYJVFVZHBDH-GOSISDBHSA-N 1 0 301.361 3.214 10 30 DGEERO C=CCOc1ccccc1CN(CC[NH+](C)C)Cc1ccco1 ZINC000349323191 526928979 /nfs/dbraw/zinc/92/89/79/526928979.db2.gz ZYKLCDMNXBFHOR-UHFFFAOYSA-N 1 0 314.429 3.408 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000348677817 526932070 /nfs/dbraw/zinc/93/20/70/526932070.db2.gz VVLJDSRFJIJWQP-UHFFFAOYSA-N 1 0 309.413 3.274 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000349040651 526933116 /nfs/dbraw/zinc/93/31/16/526933116.db2.gz UZYLYBSZTNUUIS-SJLPKXTDSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000355647509 526935609 /nfs/dbraw/zinc/93/56/09/526935609.db2.gz HGORPULIKCRMFD-LJQANCHMSA-N 1 0 317.429 3.021 10 30 DGEERO C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342098168 527024719 /nfs/dbraw/zinc/02/47/19/527024719.db2.gz DUOARFFNFVQVLF-AEFFLSMTSA-N 1 0 315.461 3.305 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184282780 527100970 /nfs/dbraw/zinc/10/09/70/527100970.db2.gz YROPVCDNEIWKKQ-ZDUSSCGKSA-N 1 0 318.398 3.350 10 30 DGEERO C=CCCCN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176502862 527183444 /nfs/dbraw/zinc/18/34/44/527183444.db2.gz JCLZIWRJVUKPLL-UHFFFAOYSA-N 1 0 307.482 3.391 10 30 DGEERO C=CC[C@H](CO)Nc1cc[nH+]c2cc(OCC)c(OCC)cc12 ZINC000182662287 527212455 /nfs/dbraw/zinc/21/24/55/527212455.db2.gz XGGWNOJHOVPROA-CYBMUJFWSA-N 1 0 316.401 3.381 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000415580316 527259300 /nfs/dbraw/zinc/25/93/00/527259300.db2.gz LSFJECXPCIEMJV-HNNXBMFYSA-N 1 0 301.434 3.364 10 30 DGEERO C=CCC[N@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000338569810 527325396 /nfs/dbraw/zinc/32/53/96/527325396.db2.gz WTIXQVHMJLLNOJ-LPHOPBHVSA-N 1 0 301.478 3.498 10 30 DGEERO C=CCn1c(Cc2ccccc2)nnc1SC[C@H](C)[NH+](C)C ZINC000358852937 527327422 /nfs/dbraw/zinc/32/74/22/527327422.db2.gz HODJDISWWSYYAW-AWEZNQCLSA-N 1 0 316.474 3.097 10 30 DGEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000131408254 545956536 /nfs/dbraw/zinc/95/65/36/545956536.db2.gz UZCRADBKFNTZSB-GJZGRUSLSA-N 1 0 304.434 3.063 10 30 DGEERO C=C(C)CN(CC)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000181064616 546152526 /nfs/dbraw/zinc/15/25/26/546152526.db2.gz DYLDZPFHSGERLC-INIZCTEOSA-N 1 0 303.450 3.115 10 30 DGEERO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)c1C ZINC000342042816 546554722 /nfs/dbraw/zinc/55/47/22/546554722.db2.gz YMTKFVQDKNFITL-QGZVFWFLSA-N 1 0 318.461 3.101 10 30 DGEERO C#CCCOc1ccc(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)cc1 ZINC000733328313 574616248 /nfs/dbraw/zinc/61/62/48/574616248.db2.gz QSUYGMIDFVJGAY-QZTJIDSGSA-N 1 0 314.473 3.441 10 30 DGEERO CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779161 574641536 /nfs/dbraw/zinc/64/15/36/574641536.db2.gz QOBJQAIMLDTONM-JKSUJKDBSA-N 1 0 306.450 3.121 10 30 DGEERO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCOC1 ZINC000735311681 574697225 /nfs/dbraw/zinc/69/72/25/574697225.db2.gz UDIRFAPENWWUDO-CYBMUJFWSA-N 1 0 308.809 3.101 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000742388300 574995994 /nfs/dbraw/zinc/99/59/94/574995994.db2.gz RGACUWUBCVAQHE-SFHVURJKSA-N 1 0 311.429 3.290 10 30 DGEERO Cc1ccc(N=NC(C)c2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000727260431 576116772 /nfs/dbraw/zinc/11/67/72/576116772.db2.gz WNNKRFSSIFDCMT-UHFFFAOYSA-N 1 0 312.417 3.167 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000121338568 621268300 /nfs/dbraw/zinc/26/83/00/621268300.db2.gz XKBUTYNFFAXBQD-CABCVRRESA-N 1 0 305.393 3.206 10 30 DGEERO C=CCCCN(C)CC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000121111377 622131882 /nfs/dbraw/zinc/13/18/82/622131882.db2.gz NXFXQFARDQGHKV-UHFFFAOYSA-N 1 0 315.417 3.471 10 30 DGEERO C#CCOc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3CC)C2)cc1 ZINC000122908573 622427855 /nfs/dbraw/zinc/42/78/55/622427855.db2.gz WWZQSCWFJWOHHY-GOSISDBHSA-N 1 0 323.440 3.295 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000131134966 625950026 /nfs/dbraw/zinc/95/00/26/625950026.db2.gz MDWAPNWDRTXQFB-SFHVURJKSA-N 1 0 321.428 3.347 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000132091614 626699208 /nfs/dbraw/zinc/69/92/08/626699208.db2.gz CBYWJIDHOURFBH-HXUWFJFHSA-N 1 0 309.409 3.175 10 30 DGEERO C[C@@H]1[C@@H]([NH2+]Cc2cc(C#N)cs2)CCN1C(=O)OC(C)(C)C ZINC000700755857 660633093 /nfs/dbraw/zinc/63/30/93/660633093.db2.gz FMAHKFMAGQCCTK-RISCZKNCSA-N 1 0 321.446 3.107 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000700849287 660640391 /nfs/dbraw/zinc/64/03/91/660640391.db2.gz VGJJKDOHQVTVNM-CABCVRRESA-N 1 0 312.454 3.005 10 30 DGEERO C#C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000702235842 660716889 /nfs/dbraw/zinc/71/68/89/660716889.db2.gz FFEIEMOIWVXSRW-LSDHHAIUSA-N 1 0 308.466 3.271 10 30 DGEERO N#Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1C(F)(F)F ZINC000262044322 655683489 /nfs/dbraw/zinc/68/34/89/655683489.db2.gz CFNWYUWUGDBHKR-XEGUGMAKSA-N 1 0 309.335 3.141 10 30 DGEERO CC(C)(C)OC(=O)NC1CC(C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000715078018 661207599 /nfs/dbraw/zinc/20/75/99/661207599.db2.gz YPGBHOWOTLMEOT-UHFFFAOYSA-N 1 0 321.446 3.013 10 30 DGEERO N#C[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716655241 661226072 /nfs/dbraw/zinc/22/60/72/661226072.db2.gz NYOMDYLVALLHMS-HVTWWXFQSA-N 1 0 309.457 3.321 10 30 DGEERO C[C@@H](NCc1ccc(F)cc1C#N)c1ccc(-n2cncn2)cc1 ZINC000181909841 656511292 /nfs/dbraw/zinc/51/12/92/656511292.db2.gz AIPJYFCZZPTREQ-CYBMUJFWSA-N 1 0 321.359 3.129 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000303878090 657570180 /nfs/dbraw/zinc/57/01/80/657570180.db2.gz IZTPVKQUAFHPCV-UHFFFAOYSA-N 1 0 323.375 3.247 10 30 DGEERO CC(C)(CNC(=[NH2+])NCCc1cccs1)c1ccc(F)cc1 ZINC000303986428 657584826 /nfs/dbraw/zinc/58/48/26/657584826.db2.gz UMGVWHOEVWWBNZ-UHFFFAOYSA-N 1 0 319.449 3.312 10 30 DGEERO CCCCCCNC(=[NH2+])NCCc1c[nH]c2ccc(F)cc12 ZINC000304754309 657647028 /nfs/dbraw/zinc/64/70/28/657647028.db2.gz LUCFOYXUAFXLAD-UHFFFAOYSA-N 1 0 304.413 3.334 10 30 DGEERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000253354692 657675996 /nfs/dbraw/zinc/67/59/96/657675996.db2.gz HXZUSLHBYYZWLT-UGUYLWEFSA-N 1 0 321.465 3.304 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2cccc3c2OCCCO3)c1 ZINC000305121741 657684255 /nfs/dbraw/zinc/68/42/55/657684255.db2.gz MVTIHCWCZSPZNT-UHFFFAOYSA-N 1 0 311.385 3.083 10 30 DGEERO [NH2+]=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)NC1CC1 ZINC000305750391 657735365 /nfs/dbraw/zinc/73/53/65/657735365.db2.gz ZNHZHBBCZMNNOD-UHFFFAOYSA-N 1 0 312.244 3.482 10 30 DGEERO CCOc1ccc([C@@H]2C[C@H]2NC(=[NH2+])NC2CCCCC2)cc1 ZINC000262844307 658047486 /nfs/dbraw/zinc/04/74/86/658047486.db2.gz VFWQPERXFLWUIX-DLBZAZTESA-N 1 0 301.434 3.178 10 30 DGEERO [NH2+]=C(NCc1ccccc1N1CCCCC1)NC1CCCCC1 ZINC000305822034 658064905 /nfs/dbraw/zinc/06/49/05/658064905.db2.gz QWODUMATIIKDJF-UHFFFAOYSA-N 1 0 314.477 3.414 10 30 DGEERO C[NH+]=C(NCc1ccoc1)NCC1CCC(C(F)(F)F)CC1 ZINC000263138197 658151407 /nfs/dbraw/zinc/15/14/07/658151407.db2.gz IQDAAQRUZZEFKR-UHFFFAOYSA-N 1 0 317.355 3.313 10 30 DGEERO CC[NH+]=C(NCC1CCSCC1)N[C@@H](C)c1ccc(C)o1 ZINC000086837698 658606779 /nfs/dbraw/zinc/60/67/79/658606779.db2.gz VTRNPXFUUFTLKR-ZDUSSCGKSA-N 1 0 309.479 3.347 10 30 DGEERO Cc1cccc(COc2ccc(CNC(=[NH2+])NC3CC3)cc2)c1 ZINC000171144387 659263145 /nfs/dbraw/zinc/26/31/45/659263145.db2.gz VQTBGPWYLSVFNW-UHFFFAOYSA-N 1 0 309.413 3.141 10 30 DGEERO N#CCc1cccc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000172153905 659320796 /nfs/dbraw/zinc/32/07/96/659320796.db2.gz FEBDIZCWTUFSPW-IBGZPJMESA-N 1 0 320.392 3.184 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000174559498 659439062 /nfs/dbraw/zinc/43/90/62/659439062.db2.gz VACWNIOUQWVQEX-HNNXBMFYSA-N 1 0 321.380 3.018 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OCC#N)cc1 ZINC000182006700 660030511 /nfs/dbraw/zinc/03/05/11/660030511.db2.gz KVTJFWKVIXLTIN-OAHLLOKOSA-N 1 0 321.380 3.190 10 30 DGEERO C(#Cc1ccccc1)C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000076331001 661978437 /nfs/dbraw/zinc/97/84/37/661978437.db2.gz XGZFFOUEDSHCDH-UHFFFAOYSA-N 1 0 301.393 3.073 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1oc(CC(C)C)nc1C ZINC000191216366 662056636 /nfs/dbraw/zinc/05/66/36/662056636.db2.gz RJGIMAJKTIVSPJ-AWEZNQCLSA-N 1 0 320.433 3.072 10 30 DGEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248772443 662358975 /nfs/dbraw/zinc/35/89/75/662358975.db2.gz HKFMUTJXMBQNNI-VGWMRTNUSA-N 1 0 321.465 3.352 10 30 DGEERO N#CCc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000399009076 1176201521 /nfs/dbraw/zinc/20/15/21/1176201521.db2.gz BURMRAAXORHAED-UHFFFAOYSA-N 1 0 316.408 3.287 10 30 DGEERO C=CCSCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399094966 1176254976 /nfs/dbraw/zinc/25/49/76/1176254976.db2.gz XYNXQAKKWDSSJU-UONOGXRCSA-N 1 0 314.495 3.283 10 30 DGEERO C=CCc1cc(C[NH2+]CC(C)(C)[C@H](O)C(C)C)cc(OC)c1O ZINC000159074830 1176609511 /nfs/dbraw/zinc/60/95/11/1176609511.db2.gz IZFUNSMUZDUIDP-GOSISDBHSA-N 1 0 321.461 3.262 10 30 DGEERO C#C[C@](C)(CC)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000384130691 1177086073 /nfs/dbraw/zinc/08/60/73/1177086073.db2.gz CEZISCFWVPSHEG-CQSZACIVSA-N 1 0 310.191 3.069 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCOc2ccccc2)cc1OC ZINC000060828791 1195158777 /nfs/dbraw/zinc/15/87/77/1195158777.db2.gz MUOKRWBALDBTEI-UHFFFAOYSA-N 1 0 313.397 3.429 10 30 DGEERO C[C@]1([NH2+]CC#Cc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000406049665 1199602641 /nfs/dbraw/zinc/60/26/41/1199602641.db2.gz GGRGMZRYTWFRQH-NRFANRHFSA-N 1 0 304.437 3.292 10 30 DGEERO C=CCC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000320772123 1199848955 /nfs/dbraw/zinc/84/89/55/1199848955.db2.gz QBZGGBNOOGAKDQ-LBPRGKRZSA-N 1 0 305.752 3.358 10 30 DGEERO C[NH+](C)CC1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123185325 1200275748 /nfs/dbraw/zinc/27/57/48/1200275748.db2.gz OSZAAEGSPNJCGW-UHFFFAOYSA-N 1 0 322.250 3.099 10 30 DGEERO N#Cc1ccc(Br)cc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000124424251 1200352774 /nfs/dbraw/zinc/35/27/74/1200352774.db2.gz RQCMUWNJQYISPP-LLVKDONJSA-N 1 0 320.234 3.217 10 30 DGEERO C=CCc1cc(C[NH2+]CC2(CCOC)CC2)cc(OC)c1O ZINC000151168439 1202591631 /nfs/dbraw/zinc/59/16/31/1202591631.db2.gz SDPVMYWHYFKQAN-UHFFFAOYSA-N 1 0 305.418 3.036 10 30 DGEERO C#CCOc1ccc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000236694138 1202621199 /nfs/dbraw/zinc/62/11/99/1202621199.db2.gz BDFGTZKJDOYCBX-LJQANCHMSA-N 1 0 312.457 3.053 10 30 DGEERO C=CCSCC[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC000237242052 1202662145 /nfs/dbraw/zinc/66/21/45/1202662145.db2.gz YBAKMCLYZSMGFP-UHFFFAOYSA-N 1 0 303.374 3.305 10 30 DGEERO CCc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc1C ZINC000181975811 529543955 /nfs/dbraw/zinc/54/39/55/529543955.db2.gz UEUZJVMSHQPYNW-UHFFFAOYSA-N 1 0 316.449 3.257 10 30 DGEERO CC[C@H](C)NC(NCc1csc(-c2ccccc2)n1)=[NH+]C ZINC000103887084 529695024 /nfs/dbraw/zinc/69/50/24/529695024.db2.gz KTBPJIXRFIRBIM-LBPRGKRZSA-N 1 0 302.447 3.274 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181740373 199346556 /nfs/dbraw/zinc/34/65/56/199346556.db2.gz HXHUITQYUYVTLW-ZDUSSCGKSA-N 1 0 324.380 3.189 10 30 DGEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000189964387 186256234 /nfs/dbraw/zinc/25/62/34/186256234.db2.gz DEXQGYPYZAAZDF-YOEHRIQHSA-N 1 0 321.428 3.425 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000172346361 198083661 /nfs/dbraw/zinc/08/36/61/198083661.db2.gz CUASMQYIQNRAOZ-HNNXBMFYSA-N 1 0 305.422 3.024 10 30 DGEERO N#CC1(CCC[N@H+]2CC[C@H](O)c3ccccc3C2)CCOCC1 ZINC000369187967 283044904 /nfs/dbraw/zinc/04/49/04/283044904.db2.gz KROZJMLIUBRSIK-SFHVURJKSA-N 1 0 314.429 3.026 10 30 DGEERO COc1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1C#N ZINC000179199996 432049445 /nfs/dbraw/zinc/04/94/45/432049445.db2.gz MJOAFBWIOKGMDZ-UHFFFAOYSA-N 1 0 302.418 3.204 10 30 DGEERO C[NH+](C)[C@@H]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000170844103 432083987 /nfs/dbraw/zinc/08/39/87/432083987.db2.gz KELPDIBQEWSRRE-LLVKDONJSA-N 1 0 318.783 3.039 10 30 DGEERO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1C#N ZINC000135056150 432096958 /nfs/dbraw/zinc/09/69/58/432096958.db2.gz RMASULULRWCCHL-QGZVFWFLSA-N 1 0 324.428 3.254 10 30 DGEERO N#CC1CCC(C[NH2+]Cc2ncc(Br)s2)CC1 ZINC000441330993 239035295 /nfs/dbraw/zinc/03/52/95/239035295.db2.gz MWSHNVCHHGKPBG-UHFFFAOYSA-N 1 0 314.252 3.325 10 30 DGEERO C=CCC[C@H](CCC)[NH2+]Cc1nn(C)cc1Br ZINC000449482315 240236723 /nfs/dbraw/zinc/23/67/23/240236723.db2.gz BKYJYTJSRJMESU-NSHDSACASA-N 1 0 300.244 3.407 10 30 DGEERO C=CCC[C@@H](CO)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000449699452 240376099 /nfs/dbraw/zinc/37/60/99/240376099.db2.gz QVVZUBBUHGCLFI-KBPBESRZSA-N 1 0 324.262 3.223 10 30 DGEERO Cc1ccc(NCc2cnc3ccc(C#N)cn23)c(C[NH+](C)C)c1 ZINC000092169738 193170842 /nfs/dbraw/zinc/17/08/42/193170842.db2.gz QVYHKDGIIOPXFD-UHFFFAOYSA-N 1 0 319.412 3.188 10 30 DGEERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000121494593 284198478 /nfs/dbraw/zinc/19/84/78/284198478.db2.gz FCXPKEKKPJMTHY-DNVCBOLYSA-N 1 0 324.424 3.211 10 30 DGEERO N#Cc1ccccc1O[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957087 183322888 /nfs/dbraw/zinc/32/28/88/183322888.db2.gz MBZZYVPNRUQBAN-OAHLLOKOSA-N 1 0 317.186 3.400 10 30 DGEERO N#Cc1ccccc1O[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022803 183330503 /nfs/dbraw/zinc/33/05/03/183330503.db2.gz XSAAALJIYKSTSK-HNNXBMFYSA-N 1 0 317.186 3.400 10 30 DGEERO CC(C)N(CCC#N)[C@H](C[NH3+])c1ccccc1Br ZINC000043093392 183336705 /nfs/dbraw/zinc/33/67/05/183336705.db2.gz JJIAHHGJEDZEAQ-CQSZACIVSA-N 1 0 310.239 3.073 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)[C@@H](C)CC#N ZINC000063085419 184269571 /nfs/dbraw/zinc/26/95/71/184269571.db2.gz UVWXHOGTQOYYJK-TUKIKUTGSA-N 1 0 324.266 3.461 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)[C@@H](C)CC#N ZINC000063085504 184269592 /nfs/dbraw/zinc/26/95/92/184269592.db2.gz BPBIXIBNQVBSPC-NILFDRSVSA-N 1 0 324.266 3.461 10 30 DGEERO C[C@@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)[C@@H](C)CC#N ZINC000063085307 184269681 /nfs/dbraw/zinc/26/96/81/184269681.db2.gz QNVMQWIWJLYBSD-YGOYTEALSA-N 1 0 316.268 3.133 10 30 DGEERO CCCCOC[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000248656431 285015142 /nfs/dbraw/zinc/01/51/42/285015142.db2.gz RINAPKVOCJXDGZ-QAPCUYQASA-N 1 0 304.434 3.119 10 30 DGEERO C[C@@H](C#N)Oc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127720770 533161303 /nfs/dbraw/zinc/16/13/03/533161303.db2.gz UPOGQJWXCOHIMQ-INIZCTEOSA-N 1 0 313.445 3.038 10 30 DGEERO C=CCOC[C@@H]1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)O1 ZINC000253377682 257106079 /nfs/dbraw/zinc/10/60/79/257106079.db2.gz XVNCDTMQCTXAGO-BZSNNMDCSA-N 1 0 305.393 3.150 10 30 DGEERO C[C@@]1(C[NH2+]Cc2ccc(C#N)o2)CCCN1Cc1ccccc1 ZINC000121797847 195349269 /nfs/dbraw/zinc/34/92/69/195349269.db2.gz QLRLOUFTKXURIG-IBGZPJMESA-N 1 0 309.413 3.296 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000581888212 400083333 /nfs/dbraw/zinc/08/33/33/400083333.db2.gz VUOYDRDIGGQKKC-LPHOPBHVSA-N 1 0 300.446 3.370 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(CCOc2ccccc2)CC1 ZINC000091507723 400125050 /nfs/dbraw/zinc/12/50/50/400125050.db2.gz YPEXWLBRKPQXHN-GOSISDBHSA-N 1 0 302.462 3.428 10 30 DGEERO C=CCCC1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCCC1 ZINC000600744023 400142239 /nfs/dbraw/zinc/14/22/39/400142239.db2.gz AAMLPVPXOBCYNL-KRWDZBQOSA-N 1 0 320.477 3.174 10 30 DGEERO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C3CC3)CC2)nc1 ZINC000585794104 400142821 /nfs/dbraw/zinc/14/28/21/400142821.db2.gz DUTUVEYLUWRAMG-RTBURBONSA-N 1 0 324.472 3.480 10 30 DGEERO Cn1ccnc1C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000610272728 400230616 /nfs/dbraw/zinc/23/06/16/400230616.db2.gz HGCAZYBMWLELMX-LJQANCHMSA-N 1 0 316.408 3.365 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000609916319 400201033 /nfs/dbraw/zinc/20/10/33/400201033.db2.gz WSHJXUHHNBGEHQ-UHFFFAOYSA-N 1 0 324.446 3.070 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000617042508 400291062 /nfs/dbraw/zinc/29/10/62/400291062.db2.gz SFWCCXUTAYOMCP-RHSMWYFYSA-N 1 0 301.434 3.008 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000093870213 400260941 /nfs/dbraw/zinc/26/09/41/400260941.db2.gz KEPMHACEUHVKSK-MRXNPFEDSA-N 1 0 311.429 3.050 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)n2c1 ZINC000123726007 400471487 /nfs/dbraw/zinc/47/14/87/400471487.db2.gz XFCYTVRVUBRZLJ-WMZOPIPTSA-N 1 0 302.381 3.099 10 30 DGEERO C=C(C)C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)OC ZINC000602733560 400557481 /nfs/dbraw/zinc/55/74/81/400557481.db2.gz JDIOGVMFIDGMDE-NJAFHUGGSA-N 1 0 322.493 3.127 10 30 DGEERO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592392819 400643927 /nfs/dbraw/zinc/64/39/27/400643927.db2.gz BKKMHAIYXSNPHI-HUUCEWRRSA-N 1 0 311.466 3.315 10 30 DGEERO C=CCC[C@H](CC)[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592395007 400644823 /nfs/dbraw/zinc/64/48/23/400644823.db2.gz TUMHJKORBQPXGV-HNNXBMFYSA-N 1 0 311.466 3.459 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC2(C(=O)OC)CCCC2)cc1 ZINC000619654354 400878166 /nfs/dbraw/zinc/87/81/66/400878166.db2.gz IRXFHJUSKGIKTI-UHFFFAOYSA-N 1 0 303.402 3.074 10 30 DGEERO C=CCCC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000605149710 400843159 /nfs/dbraw/zinc/84/31/59/400843159.db2.gz XFMVUJSUNYYFPI-UHFFFAOYSA-N 1 0 308.853 3.303 10 30 DGEERO N#Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)c(F)c1 ZINC000614817543 400949770 /nfs/dbraw/zinc/94/97/70/400949770.db2.gz NXEQBWVSIPIBQZ-UHFFFAOYSA-N 1 0 312.373 3.439 10 30 DGEERO N#CCCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000193352253 400917741 /nfs/dbraw/zinc/91/77/41/400917741.db2.gz IQPSDEKVPDEMFV-UHFFFAOYSA-N 1 0 323.234 3.348 10 30 DGEERO C=C1CC(C)(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000633494095 400972278 /nfs/dbraw/zinc/97/22/78/400972278.db2.gz ZSWDGWFBIWEWCF-ZWKOTPCHSA-N 1 0 310.441 3.076 10 30 DGEERO C#C[C@H]([NH2+]C)c1cc(Br)cc(Br)c1 ZINC000234392208 400973990 /nfs/dbraw/zinc/97/39/90/400973990.db2.gz WYHDWIJAURGTTG-JTQLQIEISA-N 1 0 302.997 3.105 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594505983 401084018 /nfs/dbraw/zinc/08/40/18/401084018.db2.gz HMGHWDWHVOHQJI-KSZLIROESA-N 1 0 315.413 3.174 10 30 DGEERO Cc1cc(Br)ccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594428238 401063990 /nfs/dbraw/zinc/06/39/90/401063990.db2.gz XHWYPJIJFXHWJK-GFCCVEGCSA-N 1 0 324.222 3.107 10 30 DGEERO C=CCCSCC[NH2+]Cc1nccn1Cc1ccccc1 ZINC000594960399 401208417 /nfs/dbraw/zinc/20/84/17/401208417.db2.gz PUZLVIUPHDCTFC-UHFFFAOYSA-N 1 0 301.459 3.330 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000625702883 401185956 /nfs/dbraw/zinc/18/59/56/401185956.db2.gz IBJQFLOYCROOBL-HNNXBMFYSA-N 1 0 300.402 3.116 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000625703953 401187201 /nfs/dbraw/zinc/18/72/01/401187201.db2.gz QFHCUDUXHIHHPH-CABCVRRESA-N 1 0 304.409 3.243 10 30 DGEERO C=CC[C@H]1CC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000625703176 401188094 /nfs/dbraw/zinc/18/80/94/401188094.db2.gz RBIGTZJTMDIADG-BBRMVZONSA-N 1 0 302.443 3.388 10 30 DGEERO C=CCCC[C@H](C)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625942085 401262343 /nfs/dbraw/zinc/26/23/43/401262343.db2.gz JIFJNRSSZDJXFT-ZDUSSCGKSA-N 1 0 303.406 3.035 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000625882152 401242318 /nfs/dbraw/zinc/24/23/18/401242318.db2.gz YWEAHEZJHDHFTI-XJKSGUPXSA-N 1 0 301.434 3.410 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(N3CCSCC3)c2)C1 ZINC000631241398 401434894 /nfs/dbraw/zinc/43/48/94/401434894.db2.gz UYBCPVHBSULXLG-NVXWUHKLSA-N 1 0 317.502 3.469 10 30 DGEERO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(N3CCSCC3)c2)C1 ZINC000631241397 401435191 /nfs/dbraw/zinc/43/51/91/401435191.db2.gz UYBCPVHBSULXLG-DOTOQJQBSA-N 1 0 317.502 3.469 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000627121123 401446836 /nfs/dbraw/zinc/44/68/36/401446836.db2.gz PURYPRGCNOJNEL-HOTGVXAUSA-N 1 0 307.482 3.010 10 30 DGEERO C=CCCC(C)(C)C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000631684106 401533916 /nfs/dbraw/zinc/53/39/16/401533916.db2.gz PDEIRDGVJUBTNP-UHFFFAOYSA-N 1 0 301.496 3.172 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000628378916 401585987 /nfs/dbraw/zinc/58/59/87/401585987.db2.gz ICYZTSUCOIBOOU-AWEZNQCLSA-N 1 0 309.475 3.386 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000624036905 401616932 /nfs/dbraw/zinc/61/69/32/401616932.db2.gz DAZAADZYTUILNH-OAHLLOKOSA-N 1 0 309.475 3.349 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624325773 401651761 /nfs/dbraw/zinc/65/17/61/401651761.db2.gz ANCMYFWXCGDDSZ-GVDBMIGSSA-N 1 0 307.482 3.152 10 30 DGEERO C=C1CC(C)(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000633327438 401672775 /nfs/dbraw/zinc/67/27/75/401672775.db2.gz AONYCTCDBQQZFR-KRWDZBQOSA-N 1 0 312.457 3.323 10 30 DGEERO Cn1cc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1C#N ZINC000191408632 165247655 /nfs/dbraw/zinc/24/76/55/165247655.db2.gz QSXWYTMKUHJPBL-KRWDZBQOSA-N 1 0 315.804 3.203 10 30 DGEERO CC(C)(C)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000172031742 432190955 /nfs/dbraw/zinc/19/09/55/432190955.db2.gz OIENDBBNYUKKID-UHFFFAOYSA-N 1 0 305.466 3.087 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247271102 432218844 /nfs/dbraw/zinc/21/88/44/432218844.db2.gz JXETYRVQAUKDRO-GDBMZVCRSA-N 1 0 321.490 3.174 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133225991 196322458 /nfs/dbraw/zinc/32/24/58/196322458.db2.gz QORADWVLAYIWKF-UHFFFAOYSA-N 1 0 313.445 3.061 10 30 DGEERO [NH2+]=C(NCC1(C2CCC2)CCC1)N[C@H]1CCOc2ccccc21 ZINC000263111110 228649006 /nfs/dbraw/zinc/64/90/06/228649006.db2.gz LAYICLJQBOTNRM-INIZCTEOSA-N 1 0 313.445 3.385 10 30 DGEERO O=C(C[C@@H]1CCCCNC1=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000329297027 228937212 /nfs/dbraw/zinc/93/72/12/228937212.db2.gz TWIVWLOWLKXAHH-AWEZNQCLSA-N 1 0 321.465 3.497 10 30 DGEERO N#C[C@@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000342774681 229117867 /nfs/dbraw/zinc/11/78/67/229117867.db2.gz DVVYBBXJPLTZIS-BGVWBIDGSA-N 1 0 309.457 3.464 10 30 DGEERO Cc1ccc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1C#N ZINC000302613380 230318663 /nfs/dbraw/zinc/31/86/63/230318663.db2.gz FJRQXNVIDGIPNV-KRWDZBQOSA-N 1 0 312.461 3.210 10 30 DGEERO Cc1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1C#N ZINC000302674027 230343950 /nfs/dbraw/zinc/34/39/50/230343950.db2.gz SUSYJUDZJUFJQA-GOSISDBHSA-N 1 0 320.440 3.238 10 30 DGEERO CN(Cc1ccc(C#N)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000361868619 266562665 /nfs/dbraw/zinc/56/26/65/266562665.db2.gz NKNLCYRIXGWJNV-IBGZPJMESA-N 1 0 323.415 3.404 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(CC)on1)C(C)C ZINC000606956772 425070805 /nfs/dbraw/zinc/07/08/05/425070805.db2.gz AAMSTOMNODEVLY-OAHLLOKOSA-N 1 0 320.437 3.057 10 30 DGEERO CC[NH+](CC)CC1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000524846600 267057712 /nfs/dbraw/zinc/05/77/12/267057712.db2.gz UEDGAUOJYXIFLJ-UHFFFAOYSA-N 1 0 323.444 3.060 10 30 DGEERO C[C@H](CCOCc1ccccc1)[NH2+]Cc1nc(C#N)cs1 ZINC000352936826 267154198 /nfs/dbraw/zinc/15/41/98/267154198.db2.gz KMASDRBFFDFIHS-CYBMUJFWSA-N 1 0 301.415 3.100 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182883019 432238747 /nfs/dbraw/zinc/23/87/47/432238747.db2.gz CDFRKFGOQVQCKB-HOTGVXAUSA-N 1 0 307.482 3.247 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295440812 273487073 /nfs/dbraw/zinc/48/70/73/273487073.db2.gz PLFWTNXSDNBFFP-RNCFNFMXSA-N 1 0 314.198 3.102 10 30 DGEERO C=CCCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000447968969 275742812 /nfs/dbraw/zinc/74/28/12/275742812.db2.gz TWLOGRWELDOWFG-KRWDZBQOSA-N 1 0 301.434 3.089 10 30 DGEERO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000407993910 277208637 /nfs/dbraw/zinc/20/86/37/277208637.db2.gz WDJRJMQTYYJDEE-AFIMGQEJSA-N 1 0 304.434 3.122 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000186703728 277881269 /nfs/dbraw/zinc/88/12/69/277881269.db2.gz CENQUQXTHZCYQN-QWRGUYRKSA-N 1 0 314.223 3.045 10 30 DGEERO C=CCC[C@H](C[N@@H+](C)Cc1cnccn1)Oc1ccc(C#N)cc1 ZINC000072426505 431336072 /nfs/dbraw/zinc/33/60/72/431336072.db2.gz GAGSIZPRQXAQGQ-LJQANCHMSA-N 1 0 322.412 3.194 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000076954556 431564455 /nfs/dbraw/zinc/56/44/55/431564455.db2.gz SRZDDCRWFMYXET-INIZCTEOSA-N 1 0 319.449 3.333 10 30 DGEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000118396083 431602772 /nfs/dbraw/zinc/60/27/72/431602772.db2.gz BVEWEJTYOCITCL-DOTOQJQBSA-N 1 0 306.413 3.448 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000118396086 431604382 /nfs/dbraw/zinc/60/43/82/431604382.db2.gz BVEWEJTYOCITCL-NVXWUHKLSA-N 1 0 306.413 3.448 10 30 DGEERO C[C@H](CCc1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000079481896 431725353 /nfs/dbraw/zinc/72/53/53/431725353.db2.gz KPJCSDQTNOJZIF-QGZVFWFLSA-N 1 0 320.440 3.097 10 30 DGEERO C=CCCCN(C)CC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000121084029 431743053 /nfs/dbraw/zinc/74/30/53/431743053.db2.gz OWNCDYNWCJMLHM-HNNXBMFYSA-N 1 0 306.450 3.393 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)n2c1 ZINC000123252198 431859469 /nfs/dbraw/zinc/85/94/69/431859469.db2.gz HIJJSYDZZHGKSG-STQMWFEESA-N 1 0 322.334 3.417 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)N(C)CCC#N ZINC000122330777 431827924 /nfs/dbraw/zinc/82/79/24/431827924.db2.gz FMQFOXCQCJNJTE-LSDHHAIUSA-N 1 0 309.413 3.251 10 30 DGEERO C=CCC[C@H](O)C[N@@H+](Cc1cccc(OC)c1OC)C(C)C ZINC000036031994 431834141 /nfs/dbraw/zinc/83/41/41/431834141.db2.gz HPCBAUDFCWJDCK-INIZCTEOSA-N 1 0 307.434 3.241 10 30 DGEERO CC(C)(CCC#N)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000092644874 431910720 /nfs/dbraw/zinc/91/07/20/431910720.db2.gz QOHMRXSAXWDXGU-UHFFFAOYSA-N 1 0 319.493 3.477 10 30 DGEERO C#CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000093644506 431915800 /nfs/dbraw/zinc/91/58/00/431915800.db2.gz DHABWNVALKDXFQ-WMZOPIPTSA-N 1 0 300.446 3.003 10 30 DGEERO C#CCOc1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1 ZINC000093807283 431917620 /nfs/dbraw/zinc/91/76/20/431917620.db2.gz YGPHASKNSBJBLU-UHFFFAOYSA-N 1 0 300.427 3.138 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192009459 432323475 /nfs/dbraw/zinc/32/34/75/432323475.db2.gz ABIOZFDLJPUFRM-MRXNPFEDSA-N 1 0 312.392 3.293 10 30 DGEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183796262 432326349 /nfs/dbraw/zinc/32/63/49/432326349.db2.gz FUHUDKXRERXUGA-INIZCTEOSA-N 1 0 306.413 3.227 10 30 DGEERO COC[C@@H](NCC#Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000192161334 432338474 /nfs/dbraw/zinc/33/84/74/432338474.db2.gz SAYUITMDVNVMTP-GOSISDBHSA-N 1 0 301.336 3.294 10 30 DGEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000252931057 432388228 /nfs/dbraw/zinc/38/82/28/432388228.db2.gz UHTJOEOZNFTHLQ-CJNGLKHVSA-N 1 0 303.837 3.270 10 30 DGEERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NC1(C#N)CCCCC1 ZINC000192680488 432399936 /nfs/dbraw/zinc/39/99/36/432399936.db2.gz HKRGENDFNRLEEE-CHWSQXEVSA-N 1 0 305.447 3.130 10 30 DGEERO CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000255871540 432413403 /nfs/dbraw/zinc/41/34/03/432413403.db2.gz IUUKLCJNDNUUDA-ZIAGYGMSSA-N 1 0 321.852 3.341 10 30 DGEERO CC(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000185229353 432480519 /nfs/dbraw/zinc/48/05/19/432480519.db2.gz MNKZUOZBBGCECI-INIZCTEOSA-N 1 0 315.461 3.131 10 30 DGEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1c2ccccc2O[C@H]1C ZINC000262316942 432481592 /nfs/dbraw/zinc/48/15/92/432481592.db2.gz USGQYTXUNMWEAP-SJCJKPOMSA-N 1 0 311.385 3.082 10 30 DGEERO C[C@@H]1C[C@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000177292060 432608228 /nfs/dbraw/zinc/60/82/28/432608228.db2.gz IIQJTAUYKCECTC-RHSMWYFYSA-N 1 0 324.390 3.471 10 30 DGEERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000194710165 432570793 /nfs/dbraw/zinc/57/07/93/432570793.db2.gz APQZNVOJMCRHRN-INIZCTEOSA-N 1 0 319.408 3.049 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000186402427 432591530 /nfs/dbraw/zinc/59/15/30/432591530.db2.gz LEKXSYQNEBUWHA-AAEUAGOBSA-N 1 0 314.223 3.132 10 30 DGEERO N#Cc1ccccc1CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000225521170 432692826 /nfs/dbraw/zinc/69/28/26/432692826.db2.gz RZCKYPHUZDLKRM-CRAIPNDOSA-N 1 0 314.335 3.144 10 30 DGEERO C=C(C)CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000274792985 432708053 /nfs/dbraw/zinc/70/80/53/432708053.db2.gz OQUAQCDKSUYKFB-UHFFFAOYSA-N 1 0 304.409 3.120 10 30 DGEERO C=CCN1CCC([NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000177909076 432670920 /nfs/dbraw/zinc/67/09/20/432670920.db2.gz CPZJAVCZNRPBPS-SFHVURJKSA-N 1 0 300.446 3.449 10 30 DGEERO C[C@@]1(CNc2ccc(C#N)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160799297 432741751 /nfs/dbraw/zinc/74/17/51/432741751.db2.gz IXUYFNBMFHYYJD-IBGZPJMESA-N 1 0 306.413 3.420 10 30 DGEERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C#N)cc1C ZINC000162365476 432821770 /nfs/dbraw/zinc/82/17/70/432821770.db2.gz GZPVSGOOIUQPTD-HNNXBMFYSA-N 1 0 301.434 3.107 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000161745774 432795172 /nfs/dbraw/zinc/79/51/72/432795172.db2.gz QWJJOFFAJGMZTI-MRXNPFEDSA-N 1 0 313.445 3.251 10 30 DGEERO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000179015643 432796544 /nfs/dbraw/zinc/79/65/44/432796544.db2.gz XCKQUONYEJDWKU-MSOLQXFVSA-N 1 0 320.396 3.125 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(OCC#N)cc1 ZINC000245866569 432866439 /nfs/dbraw/zinc/86/64/39/432866439.db2.gz IPWRKOXTVGKITJ-RUGDWHBFSA-N 1 0 300.402 3.197 10 30 DGEERO Cc1ncc2n1CC[C@H](C(=O)N[C@@](C)(CO)C1CCCCC1)C2 ZINC000330125839 432894576 /nfs/dbraw/zinc/89/45/76/432894576.db2.gz BTUCOCJHQNURLA-KSSFIOAISA-N 1 0 319.449 3.042 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245614677 432850813 /nfs/dbraw/zinc/85/08/13/432850813.db2.gz CNXZWJQYWFVOFF-IAGOWNOFSA-N 1 0 301.434 3.039 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)cc1F ZINC000330238713 432899446 /nfs/dbraw/zinc/89/94/46/432899446.db2.gz DJXYCNDIVFEOAJ-UVBJJODRSA-N 1 0 306.381 3.268 10 30 DGEERO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000425265544 433139504 /nfs/dbraw/zinc/13/95/04/433139504.db2.gz VYNQPIAUNGYAMM-ZBEGNZNMSA-N 1 0 302.349 3.386 10 30 DGEERO C=CCCCC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373472830 433152450 /nfs/dbraw/zinc/15/24/50/433152450.db2.gz GKSGZHWZMDRJCC-UHFFFAOYSA-N 1 0 318.383 3.264 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453357950 433116973 /nfs/dbraw/zinc/11/69/73/433116973.db2.gz MWTIYKRRDQVUIV-ZNMIVQPWSA-N 1 0 312.335 3.411 10 30 DGEERO C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000373785973 433162400 /nfs/dbraw/zinc/16/24/00/433162400.db2.gz FTIPNDKZZSBNMN-MOPGFXCFSA-N 1 0 310.441 3.055 10 30 DGEERO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(C#N)cc1F ZINC000447600481 433243866 /nfs/dbraw/zinc/24/38/66/433243866.db2.gz MGWNNLHOUNUMFY-BBRMVZONSA-N 1 0 301.409 3.365 10 30 DGEERO C=CCCCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000448139843 433367058 /nfs/dbraw/zinc/36/70/58/433367058.db2.gz QHLZBVJKRLAGRX-OAHLLOKOSA-N 1 0 303.450 3.381 10 30 DGEERO C=CCCCNC(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000447968606 433339000 /nfs/dbraw/zinc/33/90/00/433339000.db2.gz QPYRDZFEQFNSFQ-SFHVURJKSA-N 1 0 315.461 3.089 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1 ZINC000448362984 433400085 /nfs/dbraw/zinc/40/00/85/433400085.db2.gz PMUZEQFWHMGPSN-MRXNPFEDSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCCCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000448387355 433405569 /nfs/dbraw/zinc/40/55/69/433405569.db2.gz NWYZANZDONWKMY-UHFFFAOYSA-N 1 0 323.868 3.379 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CC3(Cc4ccccc4)CC3)n2c1 ZINC000158906537 292779397 /nfs/dbraw/zinc/77/93/97/292779397.db2.gz KDHPHVUFHWOBBU-UHFFFAOYSA-N 1 0 316.408 3.318 10 30 DGEERO C[C@@H]1C[NH+](CCCNc2cc(C#N)nc3ccccc32)C[C@@H](C)O1 ZINC000301339920 433515046 /nfs/dbraw/zinc/51/50/46/433515046.db2.gz HZCFAKHRMJEZNU-HUUCEWRRSA-N 1 0 324.428 3.018 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000355658714 433554266 /nfs/dbraw/zinc/55/42/66/433554266.db2.gz MBAHSFOYENPPPR-HKUYNNGSSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCC(F)(F)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000292838019 433598801 /nfs/dbraw/zinc/59/88/01/433598801.db2.gz RDWUMIWVGYYUOO-UHFFFAOYSA-N 1 0 308.372 3.110 10 30 DGEERO C=C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000362368295 433663497 /nfs/dbraw/zinc/66/34/97/433663497.db2.gz ACRAJCUMKWLSCZ-YDHLFZDLSA-N 1 0 307.463 3.005 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000376116516 433670728 /nfs/dbraw/zinc/67/07/28/433670728.db2.gz PRNZDUOVBHXFQP-QWHCGFSZSA-N 1 0 323.868 3.463 10 30 DGEERO C=CCSc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000362388202 433681413 /nfs/dbraw/zinc/68/14/13/433681413.db2.gz FNDIWDOTNCCYLA-AWEZNQCLSA-N 1 0 304.459 3.179 10 30 DGEERO Cc1cc(C#N)cc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000376395905 433730196 /nfs/dbraw/zinc/73/01/96/433730196.db2.gz PHLAAXMSGDCYBR-GOSISDBHSA-N 1 0 320.440 3.220 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)ccc1OC ZINC000414562472 433722337 /nfs/dbraw/zinc/72/23/37/433722337.db2.gz CATOAYOVDFTIBB-DLBZAZTESA-N 1 0 319.445 3.291 10 30 DGEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000436305709 433933297 /nfs/dbraw/zinc/93/32/97/433933297.db2.gz GTDZFUQKVNWQKA-LWSMDNFKSA-N 1 0 301.430 3.305 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc[nH]c1C1CC1)C(C)C ZINC000284429470 433894953 /nfs/dbraw/zinc/89/49/53/433894953.db2.gz SZCNZXRPHVWFLY-KRWDZBQOSA-N 1 0 315.461 3.321 10 30 DGEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000305059914 434028368 /nfs/dbraw/zinc/02/83/68/434028368.db2.gz GGAHPCBESOPSCJ-RHSMWYFYSA-N 1 0 305.418 3.168 10 30 DGEERO C#CCOc1ccccc1C[NH2+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000365129827 434287844 /nfs/dbraw/zinc/28/78/44/434287844.db2.gz DGZOBLGOEYHPKC-SFHVURJKSA-N 1 0 323.440 3.123 10 30 DGEERO C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[NH+]1CCC(C)CC1 ZINC000328634429 434293182 /nfs/dbraw/zinc/29/31/82/434293182.db2.gz BKXKHNDZPWJINK-HUUCEWRRSA-N 1 0 309.454 3.353 10 30 DGEERO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000358551792 434394561 /nfs/dbraw/zinc/39/45/61/434394561.db2.gz BQEDNLKGQRPRJP-OAHLLOKOSA-N 1 0 323.415 3.406 10 30 DGEERO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358591218 434398802 /nfs/dbraw/zinc/39/88/02/434398802.db2.gz OCVICLUJEXWHJS-WMLDXEAASA-N 1 0 312.388 3.199 10 30 DGEERO CC(C)n1ncc2c1C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000329603132 434440702 /nfs/dbraw/zinc/44/07/02/434440702.db2.gz YIZMUDMQQHNLMC-OFQRWUPVSA-N 1 0 318.465 3.008 10 30 DGEERO N#CC1(CCC[NH+]2CCC(C3CCOCC3)CC2)CCOCC1 ZINC000366885252 434528265 /nfs/dbraw/zinc/52/82/65/434528265.db2.gz PQAMPPHYMPINSF-UHFFFAOYSA-N 1 0 320.477 3.226 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000424172310 434643646 /nfs/dbraw/zinc/64/36/46/434643646.db2.gz LPDHHOUKTIGBAW-ICSRJNTNSA-N 1 0 324.424 3.341 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC000424176135 434646714 /nfs/dbraw/zinc/64/67/14/434646714.db2.gz RAZVPPZTZPRJEU-HOTGVXAUSA-N 1 0 305.418 3.165 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000424294376 434680892 /nfs/dbraw/zinc/68/08/92/434680892.db2.gz KTXMKEVOOGOQNB-BVBHFADKSA-N 1 0 301.430 3.335 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000424300000 434685674 /nfs/dbraw/zinc/68/56/74/434685674.db2.gz WMMOFGSNOHSARU-HYEGPXJVSA-N 1 0 319.420 3.474 10 30 DGEERO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000371743427 434745533 /nfs/dbraw/zinc/74/55/33/434745533.db2.gz ITQDVVVHLWPQHL-ZWKOTPCHSA-N 1 0 321.486 3.293 10 30 DGEERO C=CC[NH+]1CCC(N[C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453101365 434801423 /nfs/dbraw/zinc/80/14/23/434801423.db2.gz NXVAYPUJECWOIV-INIZCTEOSA-N 1 0 324.472 3.388 10 30 DGEERO C=CCOc1ccc(CN2CC[C@@H](C)C[C@H]2C(=O)OC)cc1 ZINC000361139588 434808893 /nfs/dbraw/zinc/80/88/93/434808893.db2.gz GYYFDFMCSIFFSM-PBHICJAKSA-N 1 0 303.402 3.025 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000464057515 434975958 /nfs/dbraw/zinc/97/59/58/434975958.db2.gz NWKNJKAXGHREBF-ZIFCJYIRSA-N 1 0 306.494 3.212 10 30 DGEERO C=CCOc1cccc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC000527804261 435015694 /nfs/dbraw/zinc/01/56/94/435015694.db2.gz CPLIFVXDTLKTRV-LJQANCHMSA-N 1 0 322.408 3.168 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000525195033 435006125 /nfs/dbraw/zinc/00/61/25/435006125.db2.gz DQGPNJDKTFKAQK-UHFFFAOYSA-N 1 0 308.381 3.292 10 30 DGEERO C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529355403 435035635 /nfs/dbraw/zinc/03/56/35/435035635.db2.gz CEPSWEZWJUCYPQ-MRXNPFEDSA-N 1 0 305.466 3.049 10 30 DGEERO CC1CC(C#N)(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000531754229 435116559 /nfs/dbraw/zinc/11/65/59/435116559.db2.gz LKQWQOCGQJRHNZ-HFCFLWKCSA-N 1 0 317.477 3.041 10 30 DGEERO C=CCOCC[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000559154806 435122934 /nfs/dbraw/zinc/12/29/34/435122934.db2.gz GGMATLSKQCTPKY-PMPSAXMXSA-N 1 0 309.450 3.164 10 30 DGEERO C=CCCCC[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000582341710 435239787 /nfs/dbraw/zinc/23/97/87/435239787.db2.gz VXLMBJTXIOAOMR-CQSZACIVSA-N 1 0 320.399 3.466 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC(C)(C)C2=CCCCC2)CC1 ZINC000477047734 435256170 /nfs/dbraw/zinc/25/61/70/435256170.db2.gz GFUQKIYNCWWZJZ-UHFFFAOYSA-N 1 0 319.493 3.463 10 30 DGEERO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512658874 435364929 /nfs/dbraw/zinc/36/49/29/435364929.db2.gz AOSLTIQVVIKTNS-LBPRGKRZSA-N 1 0 313.332 3.499 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000567856222 435363584 /nfs/dbraw/zinc/36/35/84/435363584.db2.gz FNEQSGMBGYJDRV-YSVLISHTSA-N 1 0 320.452 3.229 10 30 DGEERO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCOCC1 ZINC000536648855 435399520 /nfs/dbraw/zinc/39/95/20/435399520.db2.gz UBDJRQUMMOKINU-UHFFFAOYSA-N 1 0 324.428 3.075 10 30 DGEERO C=CCCCCCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000516935833 435562824 /nfs/dbraw/zinc/56/28/24/435562824.db2.gz KOINSVGMAFXXAO-UHFFFAOYSA-N 1 0 309.498 3.495 10 30 DGEERO C[C@H]1CCC[N@H+](Cc2ccc(CNc3ccncc3C#N)cc2)C1 ZINC000547825775 314399728 /nfs/dbraw/zinc/39/97/28/314399728.db2.gz MFHMXDNSFNVTRA-INIZCTEOSA-N 1 0 320.440 3.219 10 30 DGEERO Cc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000181542419 323258384 /nfs/dbraw/zinc/25/83/84/323258384.db2.gz JDOBVURGBAQQSS-UHFFFAOYSA-N 1 0 320.440 3.016 10 30 DGEERO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000182290375 323291192 /nfs/dbraw/zinc/29/11/92/323291192.db2.gz DBWZBKUIOXTJAW-CQSZACIVSA-N 1 0 324.380 3.407 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sccc1F)C(C)C ZINC000559794069 332281730 /nfs/dbraw/zinc/28/17/30/332281730.db2.gz LFLGDBKFUQJOJW-CQSZACIVSA-N 1 0 310.438 3.316 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191593649 335771498 /nfs/dbraw/zinc/77/14/98/335771498.db2.gz URHDWHGTWOURBG-SSDOTTSWSA-N 1 0 310.644 3.191 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2CC(C)(C)C)CC1 ZINC000520710152 336033379 /nfs/dbraw/zinc/03/33/79/336033379.db2.gz LEGIVKGMHNCJDS-INIZCTEOSA-N 1 0 307.482 3.247 10 30 DGEERO C=CCCCCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000582249168 336394220 /nfs/dbraw/zinc/39/42/20/336394220.db2.gz HHSXZPWAFOKEPZ-INIZCTEOSA-N 1 0 319.449 3.462 10 30 DGEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC000527701798 337757531 /nfs/dbraw/zinc/75/75/31/337757531.db2.gz AMWJCBBEGCLMAG-FZKQIMNGSA-N 1 0 323.408 3.304 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000527720415 337758864 /nfs/dbraw/zinc/75/88/64/337758864.db2.gz LBQXMQCYEYAJGU-WFASDCNBSA-N 1 0 315.335 3.395 10 30 DGEERO C=CC[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000080203261 337823978 /nfs/dbraw/zinc/82/39/78/337823978.db2.gz CGENNWXHDHLSKH-SECBINFHSA-N 1 0 300.196 3.218 10 30 DGEERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092755177 337907871 /nfs/dbraw/zinc/90/78/71/337907871.db2.gz VTNUWWXLLNCMER-OAHLLOKOSA-N 1 0 307.482 3.189 10 30 DGEERO C=CCSCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400707312 340151458 /nfs/dbraw/zinc/15/14/58/340151458.db2.gz LHLLAFVAYCLDRD-KBPBESRZSA-N 1 0 314.495 3.141 10 30 DGEERO C=CCCc1ccccc1NC(=O)NC1CC[NH+](CC)CC1 ZINC000505024330 340159121 /nfs/dbraw/zinc/15/91/21/340159121.db2.gz SQQAURUTKFRKOM-UHFFFAOYSA-N 1 0 301.434 3.411 10 30 DGEERO C=CCCc1ccccc1NC(=O)NCC[NH+]1CCCCC1 ZINC000505057823 340160218 /nfs/dbraw/zinc/16/02/18/340160218.db2.gz MASGCPMGWPKVBI-UHFFFAOYSA-N 1 0 301.434 3.413 10 30 DGEERO COC(=O)[C@@H](C)[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000192115105 340562273 /nfs/dbraw/zinc/56/22/73/340562273.db2.gz NCGGAVXTBXLTCX-LPHOPBHVSA-N 1 0 307.393 3.178 10 30 DGEERO C=CCCCCC[NH+]1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000193337160 340576370 /nfs/dbraw/zinc/57/63/70/340576370.db2.gz NDMQBLPKZPEYOB-HNNXBMFYSA-N 1 0 306.454 3.057 10 30 DGEERO C=CCC[C@@H](O)C[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000125016599 340801952 /nfs/dbraw/zinc/80/19/52/340801952.db2.gz FJSIBJBPLMDRKQ-GOSISDBHSA-N 1 0 303.446 3.277 10 30 DGEERO C=CCCC[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862527 341186639 /nfs/dbraw/zinc/18/66/39/341186639.db2.gz UKWSTWQLXIUWON-ZDUSSCGKSA-N 1 0 306.372 3.075 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000076943999 341216025 /nfs/dbraw/zinc/21/60/25/341216025.db2.gz GEYDRGDOXJVZRP-MRXNPFEDSA-N 1 0 315.461 3.041 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000552808430 341404961 /nfs/dbraw/zinc/40/49/61/341404961.db2.gz AHNMXOMSFSGZGU-KRWDZBQOSA-N 1 0 300.446 3.118 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000565551267 341530827 /nfs/dbraw/zinc/53/08/27/341530827.db2.gz YGRQHDHAULJRFG-KRWDZBQOSA-N 1 0 307.482 3.106 10 30 DGEERO C[C@H](CNC(=O)C[C@@H]1CCCCNC1=O)C[NH+]1CCCCC1 ZINC000328879498 534299207 /nfs/dbraw/zinc/29/92/07/534299207.db2.gz VGAYWKHNCNWRAG-CABCVRRESA-N 1 0 309.454 3.212 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1OCC ZINC000022936360 519034254 /nfs/dbraw/zinc/03/42/54/519034254.db2.gz XWASYAIQQGKJOW-KRWDZBQOSA-N 1 0 318.461 3.224 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000449547573 534574757 /nfs/dbraw/zinc/57/47/57/534574757.db2.gz ITJYQCZCRCQTDD-HIFRSBDPSA-N 1 0 301.415 3.028 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000342054336 526706570 /nfs/dbraw/zinc/70/65/70/526706570.db2.gz ZTLOILBGNGPOCX-KRWDZBQOSA-N 1 0 324.509 3.186 10 30 DGEERO C=CCOCCCC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000345976855 526729271 /nfs/dbraw/zinc/72/92/71/526729271.db2.gz YQYMBDLIKORFLJ-UHFFFAOYSA-N 1 0 310.482 3.082 10 30 DGEERO C=CCOCCN(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000338956374 526769182 /nfs/dbraw/zinc/76/91/82/526769182.db2.gz XVVSLBRWRWSOTI-PKOBYXMFSA-N 1 0 302.462 3.346 10 30 DGEERO C=CCOc1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1Cl ZINC000422558908 526865635 /nfs/dbraw/zinc/86/56/35/526865635.db2.gz BGLIUPSYKKQIJI-UHFFFAOYSA-N 1 0 306.837 3.233 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1OC ZINC000355135136 526867930 /nfs/dbraw/zinc/86/79/30/526867930.db2.gz NTOUANOYMZWDHU-IAGOWNOFSA-N 1 0 317.429 3.261 10 30 DGEERO C=CCOc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000349019907 526870660 /nfs/dbraw/zinc/87/06/60/526870660.db2.gz BDIUHUQSNCYIRR-QFBILLFUSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccc(C[NH2+]C2(CC(=O)OC)CCCC2)cc1 ZINC000338965396 526884669 /nfs/dbraw/zinc/88/46/69/526884669.db2.gz FUAITUZLKVVFAC-UHFFFAOYSA-N 1 0 303.402 3.217 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180124579 526897569 /nfs/dbraw/zinc/89/75/69/526897569.db2.gz ODJZXLXLSIBHLE-GOSISDBHSA-N 1 0 311.429 3.421 10 30 DGEERO C=CCOc1cccc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000433180118 526902068 /nfs/dbraw/zinc/90/20/68/526902068.db2.gz VFMHPMCFLBGSRK-UHFFFAOYSA-N 1 0 301.430 3.284 10 30 DGEERO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349147651 527033720 /nfs/dbraw/zinc/03/37/20/527033720.db2.gz IIVJSOZZYMAPSF-CHWSQXEVSA-N 1 0 302.418 3.436 10 30 DGEERO C=CC[C@@H](CC)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000346464178 527046220 /nfs/dbraw/zinc/04/62/20/527046220.db2.gz RHDWFUJYZRZQJF-GOSISDBHSA-N 1 0 315.461 3.436 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000349758168 527101948 /nfs/dbraw/zinc/10/19/48/527101948.db2.gz MGHSKQSBDMESOB-JQWIXIFHSA-N 1 0 316.214 3.046 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000349758170 527104406 /nfs/dbraw/zinc/10/44/06/527104406.db2.gz MGHSKQSBDMESOB-PWSUYJOCSA-N 1 0 316.214 3.046 10 30 DGEERO C=CCCC[N@@H+](C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000339002895 527194486 /nfs/dbraw/zinc/19/44/86/527194486.db2.gz NHBLCSMKDAFUPL-YOEHRIQHSA-N 1 0 304.409 3.386 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000184273655 527209428 /nfs/dbraw/zinc/20/94/28/527209428.db2.gz WJCYHDPBHNMGFK-SNVBAGLBSA-N 1 0 304.615 3.129 10 30 DGEERO CC(=O)c1ccc(C#N)cc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000302054295 527231166 /nfs/dbraw/zinc/23/11/66/527231166.db2.gz PUMUBQCNMCKRBL-SJORKVTESA-N 1 0 311.429 3.212 10 30 DGEERO C=CCc1cc(C[N@@H+](C[C@H](C)OC)C(C)C)cc(OC)c1O ZINC000353777496 527237765 /nfs/dbraw/zinc/23/77/65/527237765.db2.gz BCLIQGSKWYWICW-AWEZNQCLSA-N 1 0 307.434 3.375 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415585570 527259458 /nfs/dbraw/zinc/25/94/58/527259458.db2.gz UTJQORQWENMSKY-IYBDPMFKSA-N 1 0 313.445 3.222 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181106189 527285971 /nfs/dbraw/zinc/28/59/71/527285971.db2.gz ANJWSMDNZBJSPI-INIZCTEOSA-N 1 0 307.482 3.249 10 30 DGEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000159059483 527461734 /nfs/dbraw/zinc/46/17/34/527461734.db2.gz RHBIDNBCNPQWLZ-CQSZACIVSA-N 1 0 301.438 3.122 10 30 DGEERO C=CCC[C@H]([NH2+][C@@H]1CC(=O)N(c2cccc(OC)c2)C1)C1CC1 ZINC000346747300 527486784 /nfs/dbraw/zinc/48/67/84/527486784.db2.gz CZQUBOSGZNEXJD-QAPCUYQASA-N 1 0 314.429 3.135 10 30 DGEERO C=C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000128334924 527562226 /nfs/dbraw/zinc/56/22/26/527562226.db2.gz HPROKYQAWXPFLW-HNNXBMFYSA-N 1 0 301.434 3.046 10 30 DGEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(OCCCC#N)c1 ZINC000123393286 529068817 /nfs/dbraw/zinc/06/88/17/529068817.db2.gz ZMLWWKFDJHVPIG-GOSISDBHSA-N 1 0 315.461 3.285 10 30 DGEERO C#C[C@H](C)[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000229163604 546272102 /nfs/dbraw/zinc/27/21/02/546272102.db2.gz DAJCJWWMMNCEIR-ZDUSSCGKSA-N 1 0 300.402 3.096 10 30 DGEERO Cc1cc2c[nH]nc2c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000329179133 546483392 /nfs/dbraw/zinc/48/33/92/546483392.db2.gz NUNLDYPTCZNCCF-AWEZNQCLSA-N 1 0 312.417 3.193 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000349761537 546603761 /nfs/dbraw/zinc/60/37/61/546603761.db2.gz YHHKWGJASBEWPF-UKRRQHHQSA-N 1 0 310.235 3.353 10 30 DGEERO C#CCOc1ccccc1CNCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000730818364 574536701 /nfs/dbraw/zinc/53/67/01/574536701.db2.gz QBPRHUYIDFYCFB-CALCHBBNSA-N 1 0 300.446 3.051 10 30 DGEERO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nc1 ZINC000734365129 574657966 /nfs/dbraw/zinc/65/79/66/574657966.db2.gz CCYHSNLWVUNBMV-OAHLLOKOSA-N 1 0 309.417 3.095 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000729685574 575260631 /nfs/dbraw/zinc/26/06/31/575260631.db2.gz ZJZXECAJWMJJID-UHFFFAOYSA-N 1 0 308.381 3.444 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000729685316 575260642 /nfs/dbraw/zinc/26/06/42/575260642.db2.gz HGMOJCUZXZLWQG-UHFFFAOYSA-N 1 0 308.381 3.444 10 30 DGEERO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000300738022 617686257 /nfs/dbraw/zinc/68/62/57/617686257.db2.gz ALQLXWMTLTWVRY-OAGGEKHMSA-N 1 0 308.466 3.269 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1csc(CC(C)C)n1 ZINC000121304559 619045809 /nfs/dbraw/zinc/04/58/09/619045809.db2.gz DSUGRRBPOFAZQO-AWEZNQCLSA-N 1 0 322.474 3.232 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000128205516 624795970 /nfs/dbraw/zinc/79/59/70/624795970.db2.gz JHRXZEWKOOUNJH-HKUYNNGSSA-N 1 0 301.430 3.120 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1 ZINC000130332211 625839011 /nfs/dbraw/zinc/83/90/11/625839011.db2.gz ZXKUHOVCIPRSSA-RHSMWYFYSA-N 1 0 301.386 3.446 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000132091810 626699017 /nfs/dbraw/zinc/69/90/17/626699017.db2.gz CBYWJIDHOURFBH-FQEVSTJZSA-N 1 0 309.409 3.175 10 30 DGEERO CCOc1ccc(O)c(/C=N/C2CCC(C[NH+](C)C)CC2)c1 ZINC000136459884 627081264 /nfs/dbraw/zinc/08/12/64/627081264.db2.gz GHGQQDLVTAPWKK-XDHOZWIPSA-N 1 0 304.434 3.330 10 30 DGEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185845991 660248333 /nfs/dbraw/zinc/24/83/33/660248333.db2.gz HKFMUTJXMBQNNI-JONQDZQNSA-N 1 0 321.465 3.352 10 30 DGEERO CC(C)c1cccc(NC(=[NH2+])NCC2(CO)CC3(CCC3)C2)c1 ZINC000262837453 655862080 /nfs/dbraw/zinc/86/20/80/655862080.db2.gz QYBBALSIEGQJQA-UHFFFAOYSA-N 1 0 315.461 3.479 10 30 DGEERO CCCCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724313066 656513891 /nfs/dbraw/zinc/51/38/91/656513891.db2.gz RHMBOIHDTLIBJO-HNSVSWJLSA-N 1 0 301.496 3.433 10 30 DGEERO C[NH+]=C(NCc1cnc(C)s1)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000261944365 657229060 /nfs/dbraw/zinc/22/90/60/657229060.db2.gz FIKZJIKOLDNDBG-NSHDSACASA-N 1 0 320.437 3.325 10 30 DGEERO C[NH+]=C(NCC1CC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261952734 657253462 /nfs/dbraw/zinc/25/34/62/657253462.db2.gz HVCQINXVUSQCAC-INIZCTEOSA-N 1 0 313.445 3.398 10 30 DGEERO Cc1cnc(CC[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000093807196 657279664 /nfs/dbraw/zinc/27/96/64/657279664.db2.gz DFHSINZZDXXONO-CYBMUJFWSA-N 1 0 315.442 3.417 10 30 DGEERO C#CCOc1ccc(CNCC[N@@H+](C)C2CCCCC2)cc1 ZINC000237156155 657327023 /nfs/dbraw/zinc/32/70/23/657327023.db2.gz FCKKDEQDNCVONB-UHFFFAOYSA-N 1 0 300.446 3.053 10 30 DGEERO C=CCOCCCC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183184891 657377750 /nfs/dbraw/zinc/37/77/50/657377750.db2.gz CAEFKODQJVOWSL-GOSISDBHSA-N 1 0 317.429 3.177 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2cnn(Cc3ccccc3)c2)c1 ZINC000303892639 657573215 /nfs/dbraw/zinc/57/32/15/657573215.db2.gz NUAXRTFMCARRFG-UHFFFAOYSA-N 1 0 319.412 3.167 10 30 DGEERO O[C@H]1CCC[C@@H]1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000304752412 657647046 /nfs/dbraw/zinc/64/70/46/657647046.db2.gz KGHBDUNRIXSGKC-WBVHZDCISA-N 1 0 301.434 3.101 10 30 DGEERO Cc1cc(C)cc(CCNC(=[NH2+])NCCc2cccs2)c1 ZINC000304758163 657649170 /nfs/dbraw/zinc/64/91/70/657649170.db2.gz PPXRSZXQLUGOMT-UHFFFAOYSA-N 1 0 301.459 3.054 10 30 DGEERO Cc1ccc(NC(=[NH2+])NCCOc2ccc(F)cc2F)cc1C ZINC000304676978 657711131 /nfs/dbraw/zinc/71/11/31/657711131.db2.gz DFANIHYVZBGWJO-UHFFFAOYSA-N 1 0 319.355 3.387 10 30 DGEERO CCc1nc(CNC(N[C@@H]2CCC[C@H](CC)C2)=[NH+]C)cs1 ZINC000262756902 658013496 /nfs/dbraw/zinc/01/34/96/658013496.db2.gz BXHZNXXWQHAVBT-QWHCGFSZSA-N 1 0 308.495 3.339 10 30 DGEERO [NH2+]=C(NC[C@@H]1CC12CCSCC2)Nc1cc(F)ccc1F ZINC000263103186 658134753 /nfs/dbraw/zinc/13/47/53/658134753.db2.gz KFMJCUOCBVRVJT-JTQLQIEISA-N 1 0 311.401 3.225 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C[C@@H](C)c1c(C)noc1C ZINC000155860369 658852936 /nfs/dbraw/zinc/85/29/36/658852936.db2.gz QZKMXUOVPNIANO-KGLIPLIRSA-N 1 0 320.433 3.062 10 30 DGEERO C#CCCCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000229676582 659275129 /nfs/dbraw/zinc/27/51/29/659275129.db2.gz WEOUYWAUAGWMSL-GFCCVEGCSA-N 1 0 316.228 3.126 10 30 DGEERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000230166546 659314729 /nfs/dbraw/zinc/31/47/29/659314729.db2.gz MQDHOSSMLYPTEV-CQSZACIVSA-N 1 0 309.454 3.163 10 30 DGEERO C#CCCOc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000174559283 659439135 /nfs/dbraw/zinc/43/91/35/659439135.db2.gz RUEYMRUPNQXLJS-UHFFFAOYSA-N 1 0 320.392 3.129 10 30 DGEERO C#CCOc1ccccc1C[NH2+]CCc1ncc(CC)s1 ZINC000174624038 659451087 /nfs/dbraw/zinc/45/10/87/659451087.db2.gz HFGDBOVBJHXRKE-UHFFFAOYSA-N 1 0 300.427 3.050 10 30 DGEERO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000239274588 659992214 /nfs/dbraw/zinc/99/22/14/659992214.db2.gz AKGKOJXDNANDPI-OIISXLGYSA-N 1 0 311.429 3.397 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)C1CC1 ZINC000041635515 661835873 /nfs/dbraw/zinc/83/58/73/661835873.db2.gz VGJWTTUIINGWFE-LLVKDONJSA-N 1 0 308.219 3.349 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000077460837 662027806 /nfs/dbraw/zinc/02/78/06/662027806.db2.gz AMAZAUDHMVSIEA-QGZVFWFLSA-N 1 0 303.427 3.310 10 30 DGEERO C(#Cc1ccccc1)CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000192150299 662088922 /nfs/dbraw/zinc/08/89/22/662088922.db2.gz CNHQZLLFAZAMPH-OAQYLSRUSA-N 1 0 304.437 3.465 10 30 DGEERO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000192151887 662089127 /nfs/dbraw/zinc/08/91/27/662089127.db2.gz LUVWXZWUSJHQFY-OAHLLOKOSA-N 1 0 304.393 3.274 10 30 DGEERO C#CCOc1ccccc1C[NH2+]Cc1ccc(NC(=O)OC)cc1 ZINC000078484173 1196733101 /nfs/dbraw/zinc/73/31/01/1196733101.db2.gz QZEWZCKWMPCNQJ-UHFFFAOYSA-N 1 0 324.380 3.167 10 30 DGEERO C[C@H]1C[C@H](Nc2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000123363589 1200276900 /nfs/dbraw/zinc/27/69/00/1200276900.db2.gz WEJNXBPHEGSLGJ-GXFFZTMASA-N 1 0 308.223 3.215 10 30 DGEERO CC[C@@H](C)[NH+]1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123246216 1200275324 /nfs/dbraw/zinc/27/53/24/1200275324.db2.gz KSDDVZSCIZQSRM-GFCCVEGCSA-N 1 0 322.250 3.241 10 30 DGEERO N#Cc1ccc(Br)cc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000123179923 1200276219 /nfs/dbraw/zinc/27/62/19/1200276219.db2.gz OOVJOXIUQJOSHZ-UKRRQHHQSA-N 1 0 320.234 3.359 10 30 DGEERO C[C@@H](CNc1cc(Br)ccc1C#N)[N@H+](C)C1CC1 ZINC000218026524 1202543290 /nfs/dbraw/zinc/54/32/90/1202543290.db2.gz YSKQYOSGXMHSQI-JTQLQIEISA-N 1 0 308.223 3.215 10 30 DGEERO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cnc2ccccn12)C(C)C ZINC000150948857 1202591046 /nfs/dbraw/zinc/59/10/46/1202591046.db2.gz FHVRZILBQMIMBS-SFHVURJKSA-N 1 0 312.461 3.123 10 30 DGEERO C=CCc1cc(C[NH2+]CC2(CCOC)CCC2)cc(OC)c1O ZINC000151949660 1202593555 /nfs/dbraw/zinc/59/35/55/1202593555.db2.gz SCZKUNZPZSYFOU-UHFFFAOYSA-N 1 0 319.445 3.426 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc(OC)c1O ZINC000153889216 1202597137 /nfs/dbraw/zinc/59/71/37/1202597137.db2.gz XMUXVKMUNYLUMH-OLMNPRSZSA-N 1 0 317.429 3.032 10 30 DGEERO CC[C@H]1C[N@H+](C)CCCN1c1cc(Br)ccc1C#N ZINC000234134745 1202603327 /nfs/dbraw/zinc/60/33/27/1202603327.db2.gz LQIQPKNRAJUGOW-AWEZNQCLSA-N 1 0 322.250 3.241 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000236661584 1202617311 /nfs/dbraw/zinc/61/73/11/1202617311.db2.gz OVWFNSIUTNBHPP-UHFFFAOYSA-N 1 0 300.446 3.215 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000237115031 1202647917 /nfs/dbraw/zinc/64/79/17/1202647917.db2.gz VIDVYOCSMNSUMB-UHFFFAOYSA-N 1 0 318.461 3.222 10 30 DGEERO CC#CCCCC(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000185052184 1202838357 /nfs/dbraw/zinc/83/83/57/1202838357.db2.gz QMMOPLKJBQJIBM-LJQANCHMSA-N 1 0 314.473 3.249 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CCC)CC2)CC1 ZINC000083216813 1197411629 /nfs/dbraw/zinc/41/16/29/1197411629.db2.gz DKGNEZZIPKIQQK-UHFFFAOYSA-N 1 0 307.482 3.249 10 30 DGEERO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCCSCC#N ZINC000184019126 529402766 /nfs/dbraw/zinc/40/27/66/529402766.db2.gz HVNOWVHIWRVQMU-MRXNPFEDSA-N 1 0 303.475 3.234 10 30 DGEERO Cc1c(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc(C#N)n1C ZINC000328631449 231265742 /nfs/dbraw/zinc/26/57/42/231265742.db2.gz QYEBMNHTXQERJZ-VQIMIIECSA-N 1 0 309.413 3.073 10 30 DGEERO CCc1cccc(CC)c1NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190092434 334943413 /nfs/dbraw/zinc/94/34/13/334943413.db2.gz UQUAVHZHLQPREY-BZUAXINKSA-N 1 0 301.434 3.106 10 30 DGEERO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCCO1 ZINC000127997169 530014727 /nfs/dbraw/zinc/01/47/27/530014727.db2.gz YLVKVZCJJCTEPQ-GOSISDBHSA-N 1 0 324.428 3.075 10 30 DGEERO C[NH+]1CCC(Oc2ccc(NCC(C)(C)CCC#N)cn2)CC1 ZINC000160130962 530051016 /nfs/dbraw/zinc/05/10/16/530051016.db2.gz LILIEFGQJNRJQW-UHFFFAOYSA-N 1 0 316.449 3.296 10 30 DGEERO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000181890766 199363943 /nfs/dbraw/zinc/36/39/43/199363943.db2.gz ZPMGEBGMJWNNNW-QAPCUYQASA-N 1 0 321.424 3.496 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279690504 215064776 /nfs/dbraw/zinc/06/47/76/215064776.db2.gz NOQJQQUXZPTXOG-QRQLOZEOSA-N 1 0 312.457 3.179 10 30 DGEERO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc(C#N)cn1 ZINC000067588306 432032710 /nfs/dbraw/zinc/03/27/10/432032710.db2.gz YNWLRLNSSIYKGN-UHFFFAOYSA-N 1 0 309.369 3.350 10 30 DGEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)o1 ZINC000174322061 198319349 /nfs/dbraw/zinc/31/93/49/198319349.db2.gz YGUCCPPZWKGKPA-KRWDZBQOSA-N 1 0 309.413 3.296 10 30 DGEERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000174528272 198348021 /nfs/dbraw/zinc/34/80/21/198348021.db2.gz PKFXZNCHHWHNAY-FZMZJTMJSA-N 1 0 320.824 3.158 10 30 DGEERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)cn1 ZINC000131862309 432041638 /nfs/dbraw/zinc/04/16/38/432041638.db2.gz NVTXNMGUEZSVJK-LJQANCHMSA-N 1 0 324.428 3.440 10 30 DGEERO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 ZINC000328740330 283066163 /nfs/dbraw/zinc/06/61/63/283066163.db2.gz IJCUXGKOTBIVHA-CMPLNLGQSA-N 1 0 312.339 3.300 10 30 DGEERO Cn1nccc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000180334357 432083971 /nfs/dbraw/zinc/08/39/71/432083971.db2.gz XCTXHQBNICUULH-UHFFFAOYSA-N 1 0 302.381 3.249 10 30 DGEERO Cn1cncc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000180334600 432084134 /nfs/dbraw/zinc/08/41/34/432084134.db2.gz GWOWVGRLMZFBHO-UHFFFAOYSA-N 1 0 302.381 3.249 10 30 DGEERO C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189049380 200341757 /nfs/dbraw/zinc/34/17/57/200341757.db2.gz YTLBAEAKORFAAA-IAGOWNOFSA-N 1 0 304.409 3.261 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135056455 432095826 /nfs/dbraw/zinc/09/58/26/432095826.db2.gz XCRQWPONUQHDKQ-KRWDZBQOSA-N 1 0 324.428 3.163 10 30 DGEERO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)s1 ZINC000135078310 432097959 /nfs/dbraw/zinc/09/79/59/432097959.db2.gz INIKKBFLYBYXJX-VXGBXAGGSA-N 1 0 316.405 3.083 10 30 DGEERO N#CC1CCC(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000441390701 239047480 /nfs/dbraw/zinc/04/74/80/239047480.db2.gz YHULXYWGTCBMIF-UHFFFAOYSA-N 1 0 312.392 3.431 10 30 DGEERO C=CCCCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000449120437 240028095 /nfs/dbraw/zinc/02/80/95/240028095.db2.gz CXHBOFAWPXKVPZ-WMZOPIPTSA-N 1 0 302.462 3.410 10 30 DGEERO CC1(C#N)CCC([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC1 ZINC000449072767 240004978 /nfs/dbraw/zinc/00/49/78/240004978.db2.gz GLYOBDSXRKEZDF-UHFFFAOYSA-N 1 0 308.429 3.493 10 30 DGEERO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449356016 240154942 /nfs/dbraw/zinc/15/49/42/240154942.db2.gz FHMVSQBRQZUZTR-LSDHHAIUSA-N 1 0 307.459 3.282 10 30 DGEERO Cc1cc(C)c2ncc(C#N)c(N3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000246202787 432107111 /nfs/dbraw/zinc/10/71/11/432107111.db2.gz NSGIWIMTVICCGN-INIZCTEOSA-N 1 0 306.413 3.008 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472320548 244297630 /nfs/dbraw/zinc/29/76/30/244297630.db2.gz ORUFMNBOOIKCMV-KXBFYZLASA-N 1 0 316.420 3.409 10 30 DGEERO CC[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123174162 284233365 /nfs/dbraw/zinc/23/33/65/284233365.db2.gz IVPBMLSDJUWWLR-INIZCTEOSA-N 1 0 304.397 3.489 10 30 DGEERO CC(C)Cc1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1 ZINC000181408110 432128584 /nfs/dbraw/zinc/12/85/84/432128584.db2.gz IEWPAHRSFXOMPR-INIZCTEOSA-N 1 0 315.461 3.298 10 30 DGEERO CCCC[NH+](CCCC)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128123034 284364599 /nfs/dbraw/zinc/36/45/99/284364599.db2.gz GLZBXUOBXJZXPR-UHFFFAOYSA-N 1 0 322.474 3.234 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc(C#N)s1 ZINC000135078292 284460267 /nfs/dbraw/zinc/46/02/67/284460267.db2.gz INIKKBFLYBYXJX-NWDGAFQWSA-N 1 0 316.405 3.083 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)C[C@@H](C)C#N ZINC000042955217 183322173 /nfs/dbraw/zinc/32/21/73/183322173.db2.gz YJDFZIJQSWKLHR-GLQYFDAESA-N 1 0 324.266 3.319 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC)CCC#N ZINC000043021688 183329587 /nfs/dbraw/zinc/32/95/87/183329587.db2.gz CPTFSEPXLQOFCT-GJZGRUSLSA-N 1 0 324.266 3.463 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)C[C@@H](C)C#N ZINC000043093280 183336843 /nfs/dbraw/zinc/33/68/43/183336843.db2.gz XWOSAIIQBXVPJI-GLQYFDAESA-N 1 0 324.266 3.319 10 30 DGEERO CCn1ccnc1[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCOCC1 ZINC000284778164 218173521 /nfs/dbraw/zinc/17/35/21/218173521.db2.gz QEQXUVNSNFGFIV-SFHVURJKSA-N 1 0 324.428 3.032 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000159499869 197358385 /nfs/dbraw/zinc/35/83/85/197358385.db2.gz LAJIMWRLTZMWCP-KRWDZBQOSA-N 1 0 323.396 3.027 10 30 DGEERO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cncn2)cc1 ZINC000268862830 207031679 /nfs/dbraw/zinc/03/16/79/207031679.db2.gz CCYLPQQOZSLFJB-KGLIPLIRSA-N 1 0 320.824 3.149 10 30 DGEERO C=C(C)COc1ccc(Br)cc1C[NH2+]CCOC ZINC000062730125 184251395 /nfs/dbraw/zinc/25/13/95/184251395.db2.gz KNWVSIULNYIPNW-UHFFFAOYSA-N 1 0 314.223 3.140 10 30 DGEERO COc1cc(OC)cc([C@H]2CC[N@H+](CCCSCC#N)C2)c1 ZINC000177415804 533087347 /nfs/dbraw/zinc/08/73/47/533087347.db2.gz IZNUULWRFCXCGH-AWEZNQCLSA-N 1 0 320.458 3.140 10 30 DGEERO COc1cc(C)c(C[NH2+]CC2CCC(C#N)CC2)cc1OC ZINC000441326986 533573144 /nfs/dbraw/zinc/57/31/44/533573144.db2.gz GWKVIKCOLXVTQT-UHFFFAOYSA-N 1 0 302.418 3.432 10 30 DGEERO CC[NH+](CC)Cc1ccc(C(=O)N[C@@](C)(C#N)CC(C)C)o1 ZINC000608777680 400119421 /nfs/dbraw/zinc/11/94/21/400119421.db2.gz YOWMJUIMRDMLEU-QGZVFWFLSA-N 1 0 305.422 3.180 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000595078342 400100423 /nfs/dbraw/zinc/10/04/23/400100423.db2.gz URWFNQMNRYVOGE-ROUUACIJSA-N 1 0 317.429 3.351 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595078107 400100614 /nfs/dbraw/zinc/10/06/14/400100614.db2.gz TYHGMJOHSPDQAP-WBVHZDCISA-N 1 0 318.417 3.488 10 30 DGEERO CCCCCCCCNC(=[NH2+])NC(=[NH2+])Nc1ccc(C)cc1 ZINC000001575904 400081218 /nfs/dbraw/zinc/08/12/18/400081218.db2.gz MJYDCMGNSUAHLO-UHFFFAOYSA-N 1 0 303.454 3.206 10 30 DGEERO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C(F)F ZINC000595036717 400084576 /nfs/dbraw/zinc/08/45/76/400084576.db2.gz KTMVXFMLZSZDIV-LBPRGKRZSA-N 1 0 322.403 3.191 10 30 DGEERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616609450 400185303 /nfs/dbraw/zinc/18/53/03/400185303.db2.gz AOYSRXWQNAFMGL-INIZCTEOSA-N 1 0 315.417 3.220 10 30 DGEERO C=CC1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000600798292 400158639 /nfs/dbraw/zinc/15/86/39/400158639.db2.gz BRIFTGKZPYPCAG-KRWDZBQOSA-N 1 0 303.446 3.448 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(C(F)(F)F)CC1)C(C)C ZINC000586842422 400167428 /nfs/dbraw/zinc/16/74/28/400167428.db2.gz SXSRZQVAOKMGND-CYBMUJFWSA-N 1 0 318.383 3.144 10 30 DGEERO COc1ccc2[nH]cc(SCC/[NH+]=C3\CCCN3C)c2c1 ZINC000026467410 400257847 /nfs/dbraw/zinc/25/78/47/400257847.db2.gz RNYDVTBLPFCTQD-WUKNDPDISA-N 1 0 303.431 3.393 10 30 DGEERO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](CO)c1ccccc1 ZINC000611393987 400392870 /nfs/dbraw/zinc/39/28/70/400392870.db2.gz WBCHNTLLMOJWLZ-ICSRJNTNSA-N 1 0 306.409 3.301 10 30 DGEERO C=C(C)CN(CC)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000072900687 400413227 /nfs/dbraw/zinc/41/32/27/400413227.db2.gz KSHIFAMPGZVAQK-UHFFFAOYSA-N 1 0 301.434 3.031 10 30 DGEERO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(C#N)cc1F ZINC000611587986 400428407 /nfs/dbraw/zinc/42/84/07/400428407.db2.gz NPSWPLXPUFYJEC-NSHDSACASA-N 1 0 311.351 3.077 10 30 DGEERO CC(C)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1F ZINC000123535826 400469659 /nfs/dbraw/zinc/46/96/59/400469659.db2.gz PFUWSGZMISEEMB-UHFFFAOYSA-N 1 0 322.387 3.412 10 30 DGEERO C=C(C)[C@@H](NC)c1ncc(Br)cc1Br ZINC000133305997 400569623 /nfs/dbraw/zinc/56/96/23/400569623.db2.gz ADIOECHATCHLFA-SECBINFHSA-N 1 0 320.028 3.443 10 30 DGEERO Cn1ccnc1C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000618569929 400626223 /nfs/dbraw/zinc/62/62/23/400626223.db2.gz HXEHDUHMQUULSB-NJAFHUGGSA-N 1 0 308.429 3.376 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000592069062 400601623 /nfs/dbraw/zinc/60/16/23/400601623.db2.gz JNICCESJHWZKRG-UHFFFAOYSA-N 1 0 317.820 3.202 10 30 DGEERO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522764 400663870 /nfs/dbraw/zinc/66/38/70/400663870.db2.gz RNJRBHLHRIAFBO-RCBBPTIPSA-N 1 0 324.346 3.459 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000605875959 400886322 /nfs/dbraw/zinc/88/63/22/400886322.db2.gz DJNZECSKBLDOHY-SJLPKXTDSA-N 1 0 315.461 3.430 10 30 DGEERO C=CCOCC[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000614246269 400862321 /nfs/dbraw/zinc/86/23/21/400862321.db2.gz GJZMBQOJEMTPML-UHFFFAOYSA-N 1 0 315.369 3.025 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000606447398 400914833 /nfs/dbraw/zinc/91/48/33/400914833.db2.gz GQYVZLVDPAXBRK-KRWDZBQOSA-N 1 0 302.462 3.282 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000629589748 400985255 /nfs/dbraw/zinc/98/52/55/400985255.db2.gz YLLPOMQZYNDDAF-CQSZACIVSA-N 1 0 302.418 3.100 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000625181229 401052797 /nfs/dbraw/zinc/05/27/97/401052797.db2.gz DMVDHXPTWAFYII-UHFFFAOYSA-N 1 0 318.339 3.312 10 30 DGEERO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000594424580 401061957 /nfs/dbraw/zinc/06/19/57/401061957.db2.gz GFSSAFVGMUVNDN-GFCCVEGCSA-N 1 0 300.189 3.343 10 30 DGEERO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000248243265 401068531 /nfs/dbraw/zinc/06/85/31/401068531.db2.gz FUVAGZZUMKRDJG-QZTJIDSGSA-N 1 0 307.409 3.134 10 30 DGEERO C=CC[N@@H+](CCc1ccco1)Cc1cccc(C(=O)OCC)n1 ZINC000600143655 401193337 /nfs/dbraw/zinc/19/33/37/401193337.db2.gz TXCZIBPAUXWCPD-UHFFFAOYSA-N 1 0 314.385 3.082 10 30 DGEERO C=CCC1(C[NH2+]Cc2cccc(C(=O)OCC)n2)CCCC1 ZINC000600169298 401207179 /nfs/dbraw/zinc/20/71/79/401207179.db2.gz QUTAEDSDCDUCRB-UHFFFAOYSA-N 1 0 302.418 3.484 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccccc2OC)C1 ZINC000625701408 401185884 /nfs/dbraw/zinc/18/58/84/401185884.db2.gz RDVYEXHVRMMTEZ-HZPDHXFCSA-N 1 0 316.445 3.113 10 30 DGEERO C=C(C)COCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090450824 401266192 /nfs/dbraw/zinc/26/61/92/401266192.db2.gz ZGZXKRDIYQWULT-ZDUSSCGKSA-N 1 0 320.824 3.164 10 30 DGEERO C=CCC1([NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000625936350 401259695 /nfs/dbraw/zinc/25/96/95/401259695.db2.gz IZTOUMVQWZUYQB-IAGOWNOFSA-N 1 0 320.477 3.025 10 30 DGEERO C=C1CC(C)(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000631139395 401406277 /nfs/dbraw/zinc/40/62/77/401406277.db2.gz PWUXYGAVWGAVNR-UHFFFAOYSA-N 1 0 302.418 3.312 10 30 DGEERO C=CC(C)(C)CCNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000623465250 401524022 /nfs/dbraw/zinc/52/40/22/401524022.db2.gz IAWRYYGZZXNGOK-UHFFFAOYSA-N 1 0 309.498 3.400 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000623566091 401547692 /nfs/dbraw/zinc/54/76/92/401547692.db2.gz GHZGWKGZNZOUAB-FUHWJXTLSA-N 1 0 315.461 3.205 10 30 DGEERO C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000624459751 401662346 /nfs/dbraw/zinc/66/23/46/401662346.db2.gz HQEMWKDCTKJWKN-INIZCTEOSA-N 1 0 307.482 3.010 10 30 DGEERO C=C1CC(C)(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000633327444 401672800 /nfs/dbraw/zinc/67/28/00/401672800.db2.gz AONYCTCDBQQZFR-QGZVFWFLSA-N 1 0 312.457 3.323 10 30 DGEERO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(C#N)s1 ZINC000181919786 432150760 /nfs/dbraw/zinc/15/07/60/432150760.db2.gz NZAJDAMANJGUDV-FZMZJTMJSA-N 1 0 311.410 3.396 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000171698831 432161905 /nfs/dbraw/zinc/16/19/05/432161905.db2.gz COMXPNSSYWTNCR-OAHLLOKOSA-N 1 0 315.461 3.260 10 30 DGEERO CC[N@@H+]1CCC[C@@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000171819263 432175480 /nfs/dbraw/zinc/17/54/80/432175480.db2.gz OOSLJAUIVMUTEI-CYBMUJFWSA-N 1 0 316.355 3.281 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H]2COC3(CCC(C)CC3)O2)c1 ZINC000262204942 228642057 /nfs/dbraw/zinc/64/20/57/228642057.db2.gz SPCDUUMXWBYAQL-CRPOECCBSA-N 1 0 317.433 3.043 10 30 DGEERO [NH2+]=C(NC[C@H]1CC12CCSCC2)Nc1ccc2c(c1)CCC2 ZINC000263148184 228648951 /nfs/dbraw/zinc/64/89/51/228648951.db2.gz PBUISSNXMRJAQJ-OAHLLOKOSA-N 1 0 315.486 3.435 10 30 DGEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1CCC12CCCC2 ZINC000263287039 228650242 /nfs/dbraw/zinc/65/02/42/228650242.db2.gz UZFOLFJOURDUPT-INIZCTEOSA-N 1 0 315.417 3.297 10 30 DGEERO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000330251407 228985316 /nfs/dbraw/zinc/98/53/16/228985316.db2.gz HNYXNTJRQQAXIE-WRFANHODSA-N 1 0 302.418 3.250 10 30 DGEERO N#Cc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000302179509 230144825 /nfs/dbraw/zinc/14/48/25/230144825.db2.gz RLYLRDARRWXNCD-FFZOFVMBSA-N 1 0 318.424 3.276 10 30 DGEERO C[C@@H](CCNCc1nc(C#N)cs1)[N@H+](C)Cc1ccccc1 ZINC000352842592 265192923 /nfs/dbraw/zinc/19/29/23/265192923.db2.gz PHUKVGZYDIJYAB-AWEZNQCLSA-N 1 0 314.458 3.015 10 30 DGEERO CC[NH+](CC)CC1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000360964403 266113627 /nfs/dbraw/zinc/11/36/27/266113627.db2.gz RFEDMJUSLYSKGK-UHFFFAOYSA-N 1 0 300.450 3.128 10 30 DGEERO C[C@@]1(CNc2cccnc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000357434166 267117154 /nfs/dbraw/zinc/11/71/54/267117154.db2.gz CDNLOSSBCPSGBP-IBGZPJMESA-N 1 0 306.413 3.420 10 30 DGEERO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1ccc(C#N)cc1F ZINC000358554525 267181076 /nfs/dbraw/zinc/18/10/76/267181076.db2.gz KLMRRXNAJWXFDE-ZDUSSCGKSA-N 1 0 311.360 3.377 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151381331 432242291 /nfs/dbraw/zinc/24/22/91/432242291.db2.gz BTLCEZIQMFLDJJ-WMZOPIPTSA-N 1 0 319.470 3.396 10 30 DGEERO C[C@@H]1COC[C@H](C)N1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000151504714 432252200 /nfs/dbraw/zinc/25/22/00/432252200.db2.gz ZMPDIXAJZBBPGL-BETUJISGSA-N 1 0 313.319 3.046 10 30 DGEERO C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245575124 274300960 /nfs/dbraw/zinc/30/09/60/274300960.db2.gz HNJHZYFMABWZKK-CRAIPNDOSA-N 1 0 313.832 3.471 10 30 DGEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000162922108 274372381 /nfs/dbraw/zinc/37/23/81/274372381.db2.gz UHTJOEOZNFTHLQ-CZUORRHYSA-N 1 0 303.837 3.270 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2nc3ccccc3n3cncc23)CC1 ZINC000623951706 429928522 /nfs/dbraw/zinc/92/85/22/429928522.db2.gz WZWVBDHYZCQIRH-UHFFFAOYSA-N 1 0 321.428 3.335 10 30 DGEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070742990 431257501 /nfs/dbraw/zinc/25/75/01/431257501.db2.gz LUOAPPLGHDSADS-UWVGGRQHSA-N 1 0 301.217 3.335 10 30 DGEERO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1nccs1 ZINC000072479537 431336963 /nfs/dbraw/zinc/33/69/63/431336963.db2.gz SESZAAKPZJHYLB-OAHLLOKOSA-N 1 0 303.431 3.384 10 30 DGEERO C=CCCCN(C)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000076736027 431562165 /nfs/dbraw/zinc/56/21/65/431562165.db2.gz RWVBPTBDJDZRLD-CYBMUJFWSA-N 1 0 312.421 3.156 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000076735996 431562579 /nfs/dbraw/zinc/56/25/79/431562579.db2.gz SOEQPCXPOWGZMR-OAHLLOKOSA-N 1 0 313.445 3.113 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691248 431696764 /nfs/dbraw/zinc/69/67/64/431696764.db2.gz NJEBLHOUIDMLJR-KBPBESRZSA-N 1 0 320.408 3.074 10 30 DGEERO C=C[C@H](CC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000119212344 431663181 /nfs/dbraw/zinc/66/31/81/431663181.db2.gz JLODSMFXIKDROA-AEFFLSMTSA-N 1 0 300.446 3.289 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000121077186 431742912 /nfs/dbraw/zinc/74/29/12/431742912.db2.gz MDQBDRCLLOQAKR-PQUAAJSLSA-N 1 0 305.466 3.204 10 30 DGEERO CN(Cc1cnn(-c2ccccc2)c1)Cc1cc(C#N)cs1 ZINC000121360787 431775654 /nfs/dbraw/zinc/77/56/54/431775654.db2.gz KJQSUNJFFAXVBM-UHFFFAOYSA-N 1 0 308.410 3.437 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CCc3ccc(Cl)cc3)n2c1 ZINC000123139952 431856505 /nfs/dbraw/zinc/85/65/05/431856505.db2.gz IUGNOKMTIOQUHV-UHFFFAOYSA-N 1 0 310.788 3.192 10 30 DGEERO C=C(Br)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040491105 431857023 /nfs/dbraw/zinc/85/70/23/431857023.db2.gz KECPMUIMZNQQTO-JTQLQIEISA-N 1 0 300.196 3.263 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(F)c(Cl)c3)n2c1 ZINC000123554068 431867906 /nfs/dbraw/zinc/86/79/06/431867906.db2.gz NKUBYVZVPLJDOF-UHFFFAOYSA-N 1 0 314.751 3.288 10 30 DGEERO N#Cc1cccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123597728 431869007 /nfs/dbraw/zinc/86/90/07/431869007.db2.gz FUOZSBBJJYMIIV-IAGOWNOFSA-N 1 0 302.443 3.045 10 30 DGEERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122321126 431826808 /nfs/dbraw/zinc/82/68/08/431826808.db2.gz WXKBPIBXUYCVPK-HOTGVXAUSA-N 1 0 315.461 3.296 10 30 DGEERO C=CCC[C@H](O)C[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000125016774 431910574 /nfs/dbraw/zinc/91/05/74/431910574.db2.gz FJSIBJBPLMDRKQ-SFHVURJKSA-N 1 0 303.446 3.277 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000092810363 431912388 /nfs/dbraw/zinc/91/23/88/431912388.db2.gz AGFQUVXTBZVYLR-OAHLLOKOSA-N 1 0 324.428 3.091 10 30 DGEERO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093438324 431914411 /nfs/dbraw/zinc/91/44/11/431914411.db2.gz VPUVDOJERYLVPM-LJQANCHMSA-N 1 0 323.444 3.487 10 30 DGEERO C=CCOc1ccccc1CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000093639072 431915034 /nfs/dbraw/zinc/91/50/34/431915034.db2.gz NSMAKJGEQAXRIC-AEFFLSMTSA-N 1 0 302.462 3.414 10 30 DGEERO C=CCCC[N@@H+](C)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000093533655 431916277 /nfs/dbraw/zinc/91/62/77/431916277.db2.gz BTGKCHNIEQDREZ-UHFFFAOYSA-N 1 0 316.445 3.086 10 30 DGEERO N#Cc1ccc(F)c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047969531 431917597 /nfs/dbraw/zinc/91/75/97/431917597.db2.gz NKKKJSHTZRLBET-UHFFFAOYSA-N 1 0 301.409 3.005 10 30 DGEERO C[C@@H](c1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136866 431979496 /nfs/dbraw/zinc/97/94/96/431979496.db2.gz CDSDWUWRIRCWFV-INIZCTEOSA-N 1 0 306.413 3.227 10 30 DGEERO N#Cc1ccc([C@@H](O)C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000126624070 431954654 /nfs/dbraw/zinc/95/46/54/431954654.db2.gz QRLAVKRYPOHLQL-FQEVSTJZSA-N 1 0 304.393 3.381 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128071639 431987523 /nfs/dbraw/zinc/98/75/23/431987523.db2.gz KSGJZOVJEYSEDQ-SJORKVTESA-N 1 0 310.401 3.037 10 30 DGEERO C=CCCC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183251383 432274987 /nfs/dbraw/zinc/27/49/87/432274987.db2.gz ZEMCSMQXJQJIBL-PKOBYXMFSA-N 1 0 314.429 3.055 10 30 DGEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C#N)s1)CC2 ZINC000183319533 432281821 /nfs/dbraw/zinc/28/18/21/432281821.db2.gz HFRFVPDVWWDZID-NEPJUHHUSA-N 1 0 315.446 3.000 10 30 DGEERO C=CCN(CCOC)Cc1ccc(Br)cc1OC ZINC000191762130 432299645 /nfs/dbraw/zinc/29/96/45/432299645.db2.gz RTINTOCEMXWRQI-UHFFFAOYSA-N 1 0 314.223 3.092 10 30 DGEERO C[C@@H]1CCCN(C(=O)C2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC000191945458 432316158 /nfs/dbraw/zinc/31/61/58/432316158.db2.gz KGENIHZVTQGKAZ-GOSISDBHSA-N 1 0 324.468 3.009 10 30 DGEERO C(#Cc1ccccc1)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000192064947 432331090 /nfs/dbraw/zinc/33/10/90/432331090.db2.gz KXPSNSJYIGAJKS-NRFANRHFSA-N 1 0 305.421 3.372 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC2(C)OCCCO2)cc1Cl ZINC000192252505 432349734 /nfs/dbraw/zinc/34/97/34/432349734.db2.gz JZEBJJLVGRPGKS-UHFFFAOYSA-N 1 0 311.809 3.148 10 30 DGEERO N#Cc1ccccc1N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191937418 432315909 /nfs/dbraw/zinc/31/59/09/432315909.db2.gz UOIRJPIHSLFXDO-UHFFFAOYSA-N 1 0 315.420 3.122 10 30 DGEERO CC(C)[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000193050821 432444076 /nfs/dbraw/zinc/44/40/76/432444076.db2.gz JAEBDXNWKKZRMS-UHFFFAOYSA-N 1 0 314.433 3.046 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000193112135 432449825 /nfs/dbraw/zinc/44/98/25/432449825.db2.gz YKXICQNWVYLMBJ-LLVKDONJSA-N 1 0 300.855 3.477 10 30 DGEERO CC(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000185229334 432480560 /nfs/dbraw/zinc/48/05/60/432480560.db2.gz MNKZUOZBBGCECI-MRXNPFEDSA-N 1 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C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000298059275 433044759 /nfs/dbraw/zinc/04/47/59/433044759.db2.gz DWXUUGYSQDZDSB-HUUCEWRRSA-N 1 0 304.434 3.159 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453335761 433099033 /nfs/dbraw/zinc/09/90/33/433099033.db2.gz FVBHELIRCCOTAS-GMBSWORKSA-N 1 0 311.429 3.471 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000280585452 433097244 /nfs/dbraw/zinc/09/72/44/433097244.db2.gz HXZFMRUERUUABQ-CABZTGNLSA-N 1 0 306.353 3.233 10 30 DGEERO COc1cc(C[NH+]2CCC(c3nccc(C)n3)CC2)ccc1C#N ZINC000374217835 433180461 /nfs/dbraw/zinc/18/04/61/433180461.db2.gz PXFTTXZQFRSEDL-UHFFFAOYSA-N 1 0 322.412 3.045 10 30 DGEERO COc1cc(C[N@@H+]2CC[C@H](O)c3ccccc3C2)ccc1C#N ZINC000374219672 433180771 /nfs/dbraw/zinc/18/07/71/433180771.db2.gz XWYCSQCTMBOJTK-SFHVURJKSA-N 1 0 308.381 3.006 10 30 DGEERO N#Cc1ccnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000341939525 433372916 /nfs/dbraw/zinc/37/29/16/433372916.db2.gz ZXXUZHXSMJDNGI-GOSISDBHSA-N 1 0 306.413 3.420 10 30 DGEERO C=CCOCCN(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000338956372 433328475 /nfs/dbraw/zinc/32/84/75/433328475.db2.gz XVVSLBRWRWSOTI-IEBWSBKVSA-N 1 0 302.462 3.346 10 30 DGEERO C=CCCCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000447990467 433343969 /nfs/dbraw/zinc/34/39/69/433343969.db2.gz RUJGXQFEAJCSTC-NVXWUHKLSA-N 1 0 301.434 3.087 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1 ZINC000448362983 433395636 /nfs/dbraw/zinc/39/56/36/433395636.db2.gz PMUZEQFWHMGPSN-INIZCTEOSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCCCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000448391724 433405339 /nfs/dbraw/zinc/40/53/39/433405339.db2.gz UUTUWGPXSRUOQW-GOSISDBHSA-N 1 0 315.461 3.259 10 30 DGEERO CC[N@@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000301249511 433467541 /nfs/dbraw/zinc/46/75/41/433467541.db2.gz BTVCCQNCYPEVBY-GFCCVEGCSA-N 1 0 312.339 3.258 10 30 DGEERO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C ZINC000283190680 433683758 /nfs/dbraw/zinc/68/37/58/433683758.db2.gz KNSWNXILUVXMMU-KGLIPLIRSA-N 1 0 317.433 3.464 10 30 DGEERO Cc1cc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000301797220 433729613 /nfs/dbraw/zinc/72/96/13/433729613.db2.gz UEAHEUZHLTVLNB-OAHLLOKOSA-N 1 0 320.440 3.429 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000343492919 433810902 /nfs/dbraw/zinc/81/09/02/433810902.db2.gz CTGCCQMZUYYMOS-ZFWWWQNUSA-N 1 0 310.235 3.353 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000343503833 433811050 /nfs/dbraw/zinc/81/10/50/433811050.db2.gz LUCNWHQLBMDUMY-SMDDNHRTSA-N 1 0 300.324 3.004 10 30 DGEERO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000357156341 433886789 /nfs/dbraw/zinc/88/67/89/433886789.db2.gz ZFRDYNKULHXQPN-UONOGXRCSA-N 1 0 301.434 3.205 10 30 DGEERO Cc1cc(C#N)cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000303741918 433963520 /nfs/dbraw/zinc/96/35/20/433963520.db2.gz VLSCTZHPJGBDLY-SFHVURJKSA-N 1 0 306.413 3.338 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000286001772 434130087 /nfs/dbraw/zinc/13/00/87/434130087.db2.gz OWVDXDUXGSZBRA-ZJUUUORDSA-N 1 0 304.253 3.407 10 30 DGEERO C=CCN(Cc1cn(-c2cc[nH+]cc2)nc1C)CC(F)(F)F ZINC000346131293 434136459 /nfs/dbraw/zinc/13/64/59/434136459.db2.gz AKWGWGUWVLGQQY-UHFFFAOYSA-N 1 0 310.323 3.126 10 30 DGEERO C=CCc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc(OC)c1O ZINC000295092595 434193285 /nfs/dbraw/zinc/19/32/85/434193285.db2.gz RUVCCDCSBQAMDM-BBRMVZONSA-N 1 0 300.402 3.301 10 30 DGEERO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437103965 434216457 /nfs/dbraw/zinc/21/64/57/434216457.db2.gz CJEQYCJZAKBXHA-KGLIPLIRSA-N 1 0 302.397 3.156 10 30 DGEERO C#Cc1ccccc1CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000365875690 434312359 /nfs/dbraw/zinc/31/23/59/434312359.db2.gz AXUFUEKUNHUFBK-UHFFFAOYSA-N 1 0 316.404 3.327 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000358394089 434393704 /nfs/dbraw/zinc/39/37/04/434393704.db2.gz FXASCOBGTQURFC-HKUYNNGSSA-N 1 0 302.462 3.398 10 30 DGEERO CC(C)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[NH+]1CCCC1 ZINC000358559177 434394366 /nfs/dbraw/zinc/39/43/66/434394366.db2.gz OXIDIWUCEAMHHM-KSSFIOAISA-N 1 0 303.425 3.468 10 30 DGEERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358560635 434395008 /nfs/dbraw/zinc/39/50/08/434395008.db2.gz FKNYPKLQLMNYAD-VHAXZPJVSA-N 1 0 322.449 3.428 10 30 DGEERO C[C@@H]([NH2+]CCOc1ncccc1Cl)c1ccc(C#N)cc1F ZINC000358595800 434399812 /nfs/dbraw/zinc/39/98/12/434399812.db2.gz UZGFSPNQVNKIJS-LLVKDONJSA-N 1 0 319.767 3.475 10 30 DGEERO Cc1cc(C)n([C@H](C)CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000329804978 434483409 /nfs/dbraw/zinc/48/34/09/434483409.db2.gz KNVCVMYDXGUSCH-MGNMYUMUSA-N 1 0 318.465 3.423 10 30 DGEERO C=C(C)C[N@@H+](CCCc1cc(CC)no1)Cc1ccc(CO)o1 ZINC000450984201 434517512 /nfs/dbraw/zinc/51/75/12/434517512.db2.gz VASWAMFTQXRMCC-UHFFFAOYSA-N 1 0 318.417 3.333 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000424291627 434680778 /nfs/dbraw/zinc/68/07/78/434680778.db2.gz DWYMIZTXDAAVJS-WQGACYEGSA-N 1 0 319.836 3.468 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000424300256 434685156 /nfs/dbraw/zinc/68/51/56/434685156.db2.gz XGAXVQYOKYLFJZ-FNHZYXHNSA-N 1 0 311.429 3.422 10 30 DGEERO C=CCC1(C(=O)Nc2cccc(C[NH+](C)C)c2)CCOCC1 ZINC000424579887 434748503 /nfs/dbraw/zinc/74/85/03/434748503.db2.gz CYXJZFIQEFNFCH-UHFFFAOYSA-N 1 0 302.418 3.060 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000361115192 434802157 /nfs/dbraw/zinc/80/21/57/434802157.db2.gz WOPNXSGCWBYWKL-QFBILLFUSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372465362 434831174 /nfs/dbraw/zinc/83/11/74/434831174.db2.gz PYKYSDUMMDWUSB-UONOGXRCSA-N 1 0 303.450 3.499 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000524068186 434967735 /nfs/dbraw/zinc/96/77/35/434967735.db2.gz WRISYGYKWCXDBX-QGZVFWFLSA-N 1 0 309.498 3.351 10 30 DGEERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000528761547 435029269 /nfs/dbraw/zinc/02/92/69/435029269.db2.gz ZBVPJKVSVQVLIC-ZVXAKGHKSA-N 1 0 323.234 3.222 10 30 DGEERO C=CCC[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000467282993 435114817 /nfs/dbraw/zinc/11/48/17/435114817.db2.gz GDDPIFKGCSRJAN-LLVKDONJSA-N 1 0 304.217 3.241 10 30 DGEERO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467415084 435119648 /nfs/dbraw/zinc/11/96/48/435119648.db2.gz CUFMKYYVMBSEHG-RHSMWYFYSA-N 1 0 312.388 3.260 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000533434915 435236270 /nfs/dbraw/zinc/23/62/70/435236270.db2.gz JVRFNPKXUIYQHH-GOSISDBHSA-N 1 0 302.462 3.440 10 30 DGEERO C=CCCCC[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000583975608 435260869 /nfs/dbraw/zinc/26/08/69/435260869.db2.gz FDZCLFQNZGZWMS-CYBMUJFWSA-N 1 0 306.372 3.123 10 30 DGEERO COc1ccc(OCC[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512653768 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C=CC[N@@H+](CCc1ccco1)Cc1cc(C(=O)OC)oc1C ZINC000539816257 435569328 /nfs/dbraw/zinc/56/93/28/435569328.db2.gz GPPLWYXFBDYTCO-UHFFFAOYSA-N 1 0 303.358 3.198 10 30 DGEERO C[C@@H]1C[C@@H](CCNc2ccncc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000548162448 435674942 /nfs/dbraw/zinc/67/49/42/435674942.db2.gz DUNRVGSTELGRNS-SJLPKXTDSA-N 1 0 320.440 3.088 10 30 DGEERO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000369615221 303072382 /nfs/dbraw/zinc/07/23/82/303072382.db2.gz KAFKOGISJAWQOV-KRWDZBQOSA-N 1 0 316.449 3.048 10 30 DGEERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1OC(F)F ZINC000185770907 533699590 /nfs/dbraw/zinc/69/95/90/533699590.db2.gz GTBLUGKTYYKDHR-YPMHNXCESA-N 1 0 310.344 3.469 10 30 DGEERO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000534709945 313679203 /nfs/dbraw/zinc/67/92/03/313679203.db2.gz PMHAHFNRLVNXLW-UHFFFAOYSA-N 1 0 307.397 3.110 10 30 DGEERO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000551425896 314561308 /nfs/dbraw/zinc/56/13/08/314561308.db2.gz 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C=CC1CCN(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000181308864 546155396 /nfs/dbraw/zinc/15/53/96/546155396.db2.gz CBBYTRXBQVMFGX-INIZCTEOSA-N 1 0 315.461 3.115 10 30 DGEERO CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000328769418 546481615 /nfs/dbraw/zinc/48/16/15/546481615.db2.gz ILPDSJYSRLEQMY-KBRIMQKVSA-N 1 0 317.433 3.156 10 30 DGEERO CO[C@H](C)c1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000328769417 546481690 /nfs/dbraw/zinc/48/16/90/546481690.db2.gz ILPDSJYSRLEQMY-COXVUDFISA-N 1 0 317.433 3.156 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H](C)Cc2cccc(OC)c2)cc1 ZINC000733326647 574616200 /nfs/dbraw/zinc/61/62/00/574616200.db2.gz QVWINPJHYDEAML-INIZCTEOSA-N 1 0 309.409 3.428 10 30 DGEERO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnn3ccccc23)c1 ZINC000733800410 574639985 /nfs/dbraw/zinc/63/99/85/574639985.db2.gz PQVOYNMLAFJOFX-KRWDZBQOSA-N 1 0 320.396 3.305 10 30 DGEERO Cc1cc(C)nc(N=NC2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000734363336 574658031 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ZINC000129884351 625794423 /nfs/dbraw/zinc/79/44/23/625794423.db2.gz GZKOJSNDHHEELO-SFHVURJKSA-N 1 0 320.392 3.298 10 30 DGEERO CCCOc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1OC ZINC000104163990 627411915 /nfs/dbraw/zinc/41/19/15/627411915.db2.gz WWYBLXVVTQMSGC-UHFFFAOYSA-N 1 0 319.449 3.221 10 30 DGEERO C=C(C)CN1CCC([NH2+]Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000106244921 631218417 /nfs/dbraw/zinc/21/84/17/631218417.db2.gz LHJCHCWQJLXADX-UHFFFAOYSA-N 1 0 302.462 3.442 10 30 DGEERO C[C@@](O)(C[NH2+][C@H]1CCCC(F)(F)C1)C(F)(F)C(F)(F)F ZINC000724107327 655742034 /nfs/dbraw/zinc/74/20/34/655742034.db2.gz ZQUQXUGFAYBLEA-JGVFFNPUSA-N 1 0 311.241 3.103 10 30 DGEERO C[C@](O)(C[NH2+]C1CCC(F)(F)CC1)C(F)(F)C(F)(F)F ZINC000724111195 655742477 /nfs/dbraw/zinc/74/24/77/655742477.db2.gz VBWTXMSNYPOSBA-QMMMGPOBSA-N 1 0 311.241 3.103 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@]2(C)OCCc3sccc32)c1 ZINC000262262822 655808471 /nfs/dbraw/zinc/80/84/71/655808471.db2.gz FCPKEFLRJFOEHK-KRWDZBQOSA-N 1 0 315.442 3.271 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000157788370 655827237 /nfs/dbraw/zinc/82/72/37/655827237.db2.gz CSBRGWUKPVOHLO-IBGZPJMESA-N 1 0 315.388 3.388 10 30 DGEERO COc1ccc(F)cc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000189200333 656153202 /nfs/dbraw/zinc/15/32/02/656153202.db2.gz CRSJRWHFYBLYSM-CYBMUJFWSA-N 1 0 314.360 3.415 10 30 DGEERO C[C@H]1C[C@@H](C(=O)NC2(c3ccc4c(c3)OCO4)CC2)CC[N@@H+]1C ZINC000329600325 657181037 /nfs/dbraw/zinc/18/10/37/657181037.db2.gz XCJNOHRUHSHGAV-STQMWFEESA-N 1 0 316.401 3.091 10 30 DGEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1C[C@@H]1c1ccccc1 ZINC000261981384 657271588 /nfs/dbraw/zinc/27/15/88/657271588.db2.gz IBBSXQGHWOGWQE-CVEARBPZSA-N 1 0 323.396 3.131 10 30 DGEERO C#CCNC(N[C@H]1CC2(CCCC2)Oc2ccccc21)=[NH+]CC ZINC000262021674 657291092 /nfs/dbraw/zinc/29/10/92/657291092.db2.gz YYISBDJKSCZYAN-INIZCTEOSA-N 1 0 311.429 3.011 10 30 DGEERO N#Cc1ccccc1-c1ccc(CNC(=[NH2+])NCC2CCC2)cc1 ZINC000090989655 657364979 /nfs/dbraw/zinc/36/49/79/657364979.db2.gz QVIVMLBXPRZGDH-UHFFFAOYSA-N 1 0 318.424 3.430 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@]2(C)OCCc3sccc32)c1 ZINC000262262824 657475114 /nfs/dbraw/zinc/47/51/14/657475114.db2.gz FCPKEFLRJFOEHK-QGZVFWFLSA-N 1 0 315.442 3.271 10 30 DGEERO C[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1CCC[C@H]1C#N ZINC000262368037 657534865 /nfs/dbraw/zinc/53/48/65/657534865.db2.gz ICXLZYSRYUCQGL-DZGCQCFKSA-N 1 0 310.401 3.099 10 30 DGEERO CC[C@H](CNC(=[NH2+])NCCc1cccs1)c1ccccc1 ZINC000303768312 657560319 /nfs/dbraw/zinc/56/03/19/657560319.db2.gz AGRVQXPTRPFTIP-CQSZACIVSA-N 1 0 301.459 3.389 10 30 DGEERO Cc1ccc(NC(=[NH2+])NCc2cnn(-c3ccccc3)c2)cc1C ZINC000303791559 657565678 /nfs/dbraw/zinc/56/56/78/657565678.db2.gz XQCIPNRHOCBWKN-UHFFFAOYSA-N 1 0 319.412 3.416 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCC2(c3ccccc3)CCOCC2)c1 ZINC000303868788 657568938 /nfs/dbraw/zinc/56/89/38/657568938.db2.gz DNZOKEINCLPCJQ-UHFFFAOYSA-N 1 0 323.440 3.470 10 30 DGEERO Cc1ccccc1C(C)(C)CNC(=[NH2+])NCCc1cccs1 ZINC000303988088 657585094 /nfs/dbraw/zinc/58/50/94/657585094.db2.gz WFBTVRASYXOJQL-UHFFFAOYSA-N 1 0 315.486 3.481 10 30 DGEERO CSCc1cc(F)ccc1CNC(=[NH2+])NC1CCCCC1 ZINC000087001843 657586216 /nfs/dbraw/zinc/58/62/16/657586216.db2.gz HYDUUTKVPOVCQO-UHFFFAOYSA-N 1 0 309.454 3.426 10 30 DGEERO COc1ccc([C@H](C)CCNC(=[NH2+])NC2CCCCC2)cc1 ZINC000304584951 657639066 /nfs/dbraw/zinc/63/90/66/657639066.db2.gz SIRAINGFHMKKIJ-CQSZACIVSA-N 1 0 303.450 3.426 10 30 DGEERO C[C@@H](CNC(=[NH2+])NCCc1cccs1)c1ccc(F)cc1F ZINC000304743818 657646386 /nfs/dbraw/zinc/64/63/86/657646386.db2.gz DILVWLMVGRCBAN-NSHDSACASA-N 1 0 323.412 3.277 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2nc(C(F)(F)F)cs2)c1 ZINC000304759783 657649183 /nfs/dbraw/zinc/64/91/83/657649183.db2.gz RODFIJIWEJPANS-UHFFFAOYSA-N 1 0 314.336 3.397 10 30 DGEERO CSCc1cc(F)ccc1CNC(=[NH2+])N1CCCCCC1 ZINC000305062820 657671914 /nfs/dbraw/zinc/67/19/14/657671914.db2.gz LRKQIDRHTSGFOT-UHFFFAOYSA-N 1 0 309.454 3.379 10 30 DGEERO COc1ccc(CCNC(=[NH2+])NC2CCCCC2)c(Cl)c1 ZINC000305071033 657673249 /nfs/dbraw/zinc/67/32/49/657673249.db2.gz JIAUXMZDEPBUPT-UHFFFAOYSA-N 1 0 309.841 3.128 10 30 DGEERO C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(-c3ccccn3)c2)C1 ZINC000305170825 657690776 /nfs/dbraw/zinc/69/07/76/657690776.db2.gz AAYCNZUMRMGVNH-OAHLLOKOSA-N 1 0 308.429 3.295 10 30 DGEERO CC(C)[C@@H](CNC(=[NH2+])NC1CCCCC1)Nc1ccccc1 ZINC000303777384 657695223 /nfs/dbraw/zinc/69/52/23/657695223.db2.gz IRTDFKAUGHYFLN-QGZVFWFLSA-N 1 0 302.466 3.360 10 30 DGEERO CC(C)c1ccccc1OCCNC(=[NH2+])NC1CCCCC1 ZINC000304515450 657709255 /nfs/dbraw/zinc/70/92/55/657709255.db2.gz WGOYYFRONKAYLK-UHFFFAOYSA-N 1 0 303.450 3.426 10 30 DGEERO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H](C)c1ccc(C)o1 ZINC000262761364 658016375 /nfs/dbraw/zinc/01/63/75/658016375.db2.gz GBVXWXKFEQFVFH-HFTRVMKXSA-N 1 0 321.465 3.145 10 30 DGEERO C[NH+]=C(N[C@@H](C)c1ccccc1Br)NC1CCC1 ZINC000262805462 658041787 /nfs/dbraw/zinc/04/17/87/658041787.db2.gz SPAXVDSHOHUMJI-JTQLQIEISA-N 1 0 310.239 3.228 10 30 DGEERO CC(C)[C@@H]1C[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)CCO1 ZINC000263064812 658115009 /nfs/dbraw/zinc/11/50/09/658115009.db2.gz FYXQDDGXBJNEIC-NHYWBVRUSA-N 1 0 311.376 3.143 10 30 DGEERO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181796367 660020286 /nfs/dbraw/zinc/02/02/86/660020286.db2.gz MPNOHTJJRMLEIB-CRAIPNDOSA-N 1 0 304.434 3.427 10 30 DGEERO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCCSC2)ccc1OC ZINC000183603589 660126039 /nfs/dbraw/zinc/12/60/39/660126039.db2.gz XVDHQUHAPDAFMG-GJZGRUSLSA-N 1 0 320.458 3.361 10 30 DGEERO [NH2+]=C(NCc1nc2ccccc2n1C1CC1)Nc1ccccc1 ZINC000183648268 660129204 /nfs/dbraw/zinc/12/92/04/660129204.db2.gz ZFBZLECQUCPBBY-UHFFFAOYSA-N 1 0 305.385 3.298 10 30 DGEERO CCCCCCNC(=[NH2+])NCc1nc2ccccc2n1C1CC1 ZINC000183837314 660142519 /nfs/dbraw/zinc/14/25/19/660142519.db2.gz CTBFCOZTHMXCLE-UHFFFAOYSA-N 1 0 313.449 3.356 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000159917679 661897795 /nfs/dbraw/zinc/89/77/95/661897795.db2.gz KCHRZFRZKAKHNP-ZIAGYGMSSA-N 1 0 309.417 3.061 10 30 DGEERO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000189547715 661981485 /nfs/dbraw/zinc/98/14/85/661981485.db2.gz GXGDLABQEQYHGU-UONOGXRCSA-N 1 0 311.385 3.232 10 30 DGEERO COc1ccc(N2CCC[N@H+](CC#Cc3ccccc3)CC2)cc1 ZINC000191954479 662084550 /nfs/dbraw/zinc/08/45/50/662084550.db2.gz AFIGMVYRNHZIES-UHFFFAOYSA-N 1 0 320.436 3.259 10 30 DGEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248772439 662359275 /nfs/dbraw/zinc/35/92/75/662359275.db2.gz HKFMUTJXMBQNNI-UGUYLWEFSA-N 1 0 321.465 3.352 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000227683925 685118720 /nfs/dbraw/zinc/11/87/20/685118720.db2.gz AEOVFIDOUGHASM-AWEZNQCLSA-N 1 0 320.433 3.254 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000385053734 685172575 /nfs/dbraw/zinc/17/25/75/685172575.db2.gz DDRVJWDGCOTMQD-SMDDNHRTSA-N 1 0 308.219 3.349 10 30 DGEERO CC[C@@H]1C[N@H+](C)CCCN1c1cc(Br)ccc1C#N ZINC000300547007 1199367972 /nfs/dbraw/zinc/36/79/72/1199367972.db2.gz LQIQPKNRAJUGOW-CQSZACIVSA-N 1 0 322.250 3.241 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)cc1OC ZINC000119798449 1200118779 /nfs/dbraw/zinc/11/87/79/1200118779.db2.gz HINWVKZXOVNBOE-HOTGVXAUSA-N 1 0 305.418 3.307 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H](CC)[C@H]2CCCO2)cc(OC)c1O ZINC000119787676 1200119170 /nfs/dbraw/zinc/11/91/70/1200119170.db2.gz FUZCVSKVGFYJTP-JKSUJKDBSA-N 1 0 305.418 3.177 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000120636966 1200163235 /nfs/dbraw/zinc/16/32/35/1200163235.db2.gz AXFQYCXMVXIEOC-KRWDZBQOSA-N 1 0 309.413 3.015 10 30 DGEERO C=CCOc1ccc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000128559204 1200772649 /nfs/dbraw/zinc/77/26/49/1200772649.db2.gz RUBXPNIVSRJKOA-KBPBESRZSA-N 1 0 305.418 3.306 10 30 DGEERO CC(C)(CCC#N)C[NH2+]CCNc1ncccc1C(F)(F)F ZINC000151100207 1202591251 /nfs/dbraw/zinc/59/12/51/1202591251.db2.gz QEMUPCSJQZGBPJ-UHFFFAOYSA-N 1 0 314.355 3.432 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc(OC)c1O ZINC000153889404 1202597119 /nfs/dbraw/zinc/59/71/19/1202597119.db2.gz XMUXVKMUNYLUMH-QGTPRVQTSA-N 1 0 317.429 3.032 10 30 DGEERO C=CCSCC[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000231930347 1202600338 /nfs/dbraw/zinc/60/03/38/1202600338.db2.gz KOLRGQIKILAFBB-AWEZNQCLSA-N 1 0 316.511 3.292 10 30 DGEERO Cc1ccccc1CN(C)C(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000029415440 717119353 /nfs/dbraw/zinc/11/93/53/717119353.db2.gz ANFGCCAPARUJLN-INIZCTEOSA-N 1 0 303.470 3.361 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1OC ZINC000153758039 1084262981 /nfs/dbraw/zinc/26/29/81/1084262981.db2.gz BGTULCUGMWBEMH-BRWVUGGUSA-N 1 0 317.429 3.307 10 30 DGEERO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(C#N)cn1 ZINC000719879387 1105029029 /nfs/dbraw/zinc/02/90/29/1105029029.db2.gz BXWMZOARTGLBOJ-IBGZPJMESA-N 1 0 320.440 3.444 10 30 DGEERO CC[NH+](CC)C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000078835032 185118163 /nfs/dbraw/zinc/11/81/63/185118163.db2.gz ZCMOIYAUFYJNAQ-JTQLQIEISA-N 1 0 300.328 3.114 10 30 DGEERO CC[C@@H](C)[N@H+](Cc1cc(C#CCO)cs1)Cc1ccncc1 ZINC000063846056 432007676 /nfs/dbraw/zinc/00/76/76/432007676.db2.gz NMAUXXVLATTWHD-OAHLLOKOSA-N 1 0 314.454 3.288 10 30 DGEERO CN(Cc1ccc(CC#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343423306 529984433 /nfs/dbraw/zinc/98/44/33/529984433.db2.gz OPRONIDKFAPDII-OAQYLSRUSA-N 1 0 319.452 3.459 10 30 DGEERO CN(Cc1ccc(F)c(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310479151 529986657 /nfs/dbraw/zinc/98/66/57/529986657.db2.gz DJGWOHYYHAQBCE-IBGZPJMESA-N 1 0 323.415 3.404 10 30 DGEERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328840186 530051586 /nfs/dbraw/zinc/05/15/86/530051586.db2.gz UMHUYJGJWLUQOM-KGLIPLIRSA-N 1 0 309.454 3.353 10 30 DGEERO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152496213 186079779 /nfs/dbraw/zinc/07/97/79/186079779.db2.gz VCNUXZFLCCCWOF-DZGCQCFKSA-N 1 0 322.836 3.089 10 30 DGEERO C=CCC[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ncc(F)cn1 ZINC000072426861 191161296 /nfs/dbraw/zinc/16/12/96/191161296.db2.gz GSWKXRYEWAZZPY-HLLBOEOZSA-N 1 0 317.408 3.227 10 30 DGEERO COc1ccc(C[NH2+][C@H](C)COCc2ccccc2)cc1C#N ZINC000174619591 198360750 /nfs/dbraw/zinc/36/07/50/198360750.db2.gz UWGRHUNHWWYXDK-OAHLLOKOSA-N 1 0 310.397 3.262 10 30 DGEERO N#Cc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000094368333 283148814 /nfs/dbraw/zinc/14/88/14/283148814.db2.gz HEDRJMBILWNCJE-INIZCTEOSA-N 1 0 302.443 3.093 10 30 DGEERO N#Cc1ccc(N2CCC[C@H]([NH+]3C[C@H]4CCCC[C@@H]4C3)C2=O)cc1 ZINC000490060279 283159271 /nfs/dbraw/zinc/15/92/71/283159271.db2.gz PAIOLVOFCIWDQC-LMMKCTJWSA-N 1 0 323.440 3.176 10 30 DGEERO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCc2ccccc21 ZINC000179906790 432073894 /nfs/dbraw/zinc/07/38/94/432073894.db2.gz FGPRTFURLKQIAO-SFHVURJKSA-N 1 0 302.381 3.325 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180198224 199129286 /nfs/dbraw/zinc/12/92/86/199129286.db2.gz ZSXLACOJPHWSIL-RTBURBONSA-N 1 0 319.408 3.042 10 30 DGEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000187703675 200147211 /nfs/dbraw/zinc/14/72/11/200147211.db2.gz VOLFHEDFIKMSTH-BBRMVZONSA-N 1 0 300.402 3.283 10 30 DGEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000281216192 216160044 /nfs/dbraw/zinc/16/00/44/216160044.db2.gz KAUUKZOGGIOLET-NXHRZFHOSA-N 1 0 302.393 3.213 10 30 DGEERO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000281398192 216271819 /nfs/dbraw/zinc/27/18/19/216271819.db2.gz NHPQDODYGXHJOU-JQHSSLGASA-N 1 0 302.393 3.213 10 30 DGEERO COc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1C#N ZINC000135062918 432096425 /nfs/dbraw/zinc/09/64/25/432096425.db2.gz ONXVGWTZUMFIDY-SFHVURJKSA-N 1 0 313.445 3.017 10 30 DGEERO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000180946799 432106235 /nfs/dbraw/zinc/10/62/35/432106235.db2.gz BBANYDBVTXCABP-HUUCEWRRSA-N 1 0 324.490 3.332 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCCC3)CC1 ZINC000455748413 242275727 /nfs/dbraw/zinc/27/57/27/242275727.db2.gz YKSCKYQFIPTHQS-UHFFFAOYSA-N 1 0 313.445 3.337 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NC2(C3CCC3)CCC2)CC1 ZINC000458313054 243027252 /nfs/dbraw/zinc/02/72/52/243027252.db2.gz CCTUIQHFXZGAAV-UHFFFAOYSA-N 1 0 305.466 3.049 10 30 DGEERO CC(C)Cc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1 ZINC000181408090 432128800 /nfs/dbraw/zinc/12/88/00/432128800.db2.gz IEWPAHRSFXOMPR-MRXNPFEDSA-N 1 0 315.461 3.298 10 30 DGEERO CC1=C2C(=O)C[C@@H](c3ccccc3O)CC2=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000017066469 182074086 /nfs/dbraw/zinc/07/40/86/182074086.db2.gz YKZNHYZHWXQTTH-BPUTZDHNSA-N 1 0 324.424 3.468 10 30 DGEERO C=CC[NH2+][C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494204155 246120349 /nfs/dbraw/zinc/12/03/49/246120349.db2.gz HTHGBEWAMHVUDG-HOCLYGCPSA-N 1 0 310.800 3.305 10 30 DGEERO C[N@H+](CCN(CCC#N)Cc1ccco1)Cc1ccc(F)cc1 ZINC000181729724 432143936 /nfs/dbraw/zinc/14/39/36/432143936.db2.gz HPWNXHOQZNBACA-UHFFFAOYSA-N 1 0 315.392 3.266 10 30 DGEERO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000159812478 197366499 /nfs/dbraw/zinc/36/64/99/197366499.db2.gz SRAIJAHZSVOMMI-JTQLQIEISA-N 1 0 308.307 3.161 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CC3(c4cccc(F)c4)CC3)n2c1 ZINC000152680059 284634700 /nfs/dbraw/zinc/63/47/00/284634700.db2.gz XHIQDHBSPMHTJN-UHFFFAOYSA-N 1 0 320.371 3.166 10 30 DGEERO CCCCCCCOc1ccc(CC[C@]([NH3+])(CO)CCO)cc1 ZINC000042920699 183318166 /nfs/dbraw/zinc/31/81/66/183318166.db2.gz UJWZZRMCHWJDLW-LJQANCHMSA-N 1 0 323.477 3.041 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCC#N ZINC000043020172 183328465 /nfs/dbraw/zinc/32/84/65/183328465.db2.gz FNIULMRELXMICJ-ZIAGYGMSSA-N 1 0 310.239 3.073 10 30 DGEERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CCC#N)C1CC1 ZINC000043021820 183329483 /nfs/dbraw/zinc/32/94/83/183329483.db2.gz GWXZRFJLHHARJB-ABAIWWIYSA-N 1 0 322.250 3.215 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)C[C@@H](C)C#N ZINC000043021700 183329801 /nfs/dbraw/zinc/32/98/01/183329801.db2.gz TXCPLUJAQVGLDQ-NILFDRSVSA-N 1 0 324.266 3.319 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC)CCC#N ZINC000043021690 183329825 /nfs/dbraw/zinc/32/98/25/183329825.db2.gz CPTFSEPXLQOFCT-CABCVRRESA-N 1 0 324.266 3.463 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)C[C@@H](C)C#N ZINC000043021704 183330133 /nfs/dbraw/zinc/33/01/33/183330133.db2.gz TXCPLUJAQVGLDQ-GLQYFDAESA-N 1 0 324.266 3.319 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)CCC#N ZINC000043091007 183335593 /nfs/dbraw/zinc/33/55/93/183335593.db2.gz OMOKQOFDMSCXKL-KBPBESRZSA-N 1 0 310.239 3.073 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)C[C@@H](C)C#N ZINC000043093278 183336395 /nfs/dbraw/zinc/33/63/95/183336395.db2.gz XWOSAIIQBXVPJI-CQDKDKBSSA-N 1 0 324.266 3.319 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000106212615 194190085 /nfs/dbraw/zinc/19/00/85/194190085.db2.gz BVEQNVOFNKSFNT-KRWDZBQOSA-N 1 0 324.428 3.033 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000106217167 194190862 /nfs/dbraw/zinc/19/08/62/194190862.db2.gz XRKFSOPVNDAYOX-QGZVFWFLSA-N 1 0 324.428 3.033 10 30 DGEERO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)cc1 ZINC000268862828 207030435 /nfs/dbraw/zinc/03/04/35/207030435.db2.gz CCYLPQQOZSLFJB-KBPBESRZSA-N 1 0 320.824 3.149 10 30 DGEERO Cc1cnn([C@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)c1 ZINC000156232223 197097112 /nfs/dbraw/zinc/09/71/12/197097112.db2.gz DBWDGFNZHJVOLR-SFHVURJKSA-N 1 0 324.428 3.169 10 30 DGEERO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000183211379 533341465 /nfs/dbraw/zinc/34/14/65/533341465.db2.gz JROXLLBBNAQBLW-IUODEOHRSA-N 1 0 313.319 3.094 10 30 DGEERO COc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1OCCCC#N ZINC000131410737 533564755 /nfs/dbraw/zinc/56/47/55/533564755.db2.gz JGNLEDUXIKNNAT-AWEZNQCLSA-N 1 0 320.458 3.315 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000595076443 400100399 /nfs/dbraw/zinc/10/03/99/400100399.db2.gz HRTCEUCROCJLAE-QGZVFWFLSA-N 1 0 303.402 3.033 10 30 DGEERO C=CC(C)(C)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600747744 400142247 /nfs/dbraw/zinc/14/22/47/400142247.db2.gz ZUXHJMLRJDEBLG-UHFFFAOYSA-N 1 0 305.378 3.115 10 30 DGEERO C=CCC1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CCOCC1 ZINC000351290903 400245374 /nfs/dbraw/zinc/24/53/74/400245374.db2.gz KWLHQOWKCITDIR-UHFFFAOYSA-N 1 0 310.357 3.009 10 30 DGEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)c(Br)c1 ZINC000600962890 400195564 /nfs/dbraw/zinc/19/55/64/400195564.db2.gz OTZJYSKQUQWPRM-UMSPYCQHSA-N 1 0 308.223 3.250 10 30 DGEERO C=C[C@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617011931 400274386 /nfs/dbraw/zinc/27/43/86/400274386.db2.gz PJCFSUAVDKUBSF-NVXWUHKLSA-N 1 0 300.446 3.335 10 30 DGEERO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494601 400387569 /nfs/dbraw/zinc/38/75/69/400387569.db2.gz CIIIUAOFQLZEEJ-QRQLOZEOSA-N 1 0 317.477 3.252 10 30 DGEERO C=CCOCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611559882 400421324 /nfs/dbraw/zinc/42/13/24/400421324.db2.gz FZBPBKYWRYZIDP-GOEBONIOSA-N 1 0 304.390 3.098 10 30 DGEERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000042979346 400448671 /nfs/dbraw/zinc/44/86/71/400448671.db2.gz AGVHZVAWUUMLLL-AUUYWEPGSA-N 1 0 313.445 3.269 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)n2c1 ZINC000123725800 400471467 /nfs/dbraw/zinc/47/14/67/400471467.db2.gz XFCYTVRVUBRZLJ-SJLPKXTDSA-N 1 0 302.381 3.099 10 30 DGEERO C=CCSCC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000602545964 400492934 /nfs/dbraw/zinc/49/29/34/400492934.db2.gz UMZHKICYQKBDIP-UHFFFAOYSA-N 1 0 319.396 3.247 10 30 DGEERO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602808834 400581702 /nfs/dbraw/zinc/58/17/02/400581702.db2.gz ZZAHSPHYIHEFJE-OAHLLOKOSA-N 1 0 300.362 3.125 10 30 DGEERO COc1ccccc1-c1cc[n+](CC(=O)c2ccc(F)cc2)cn1 ZINC000048523627 400657748 /nfs/dbraw/zinc/65/77/48/400657748.db2.gz UIXFITGVUSFSPB-UHFFFAOYSA-N 1 0 323.347 3.067 10 30 DGEERO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522765 400663800 /nfs/dbraw/zinc/66/38/00/400663800.db2.gz RNJRBHLHRIAFBO-WQMJKPAKSA-N 1 0 324.346 3.459 10 30 DGEERO C#CC[C@H]([NH3+])c1cc(Br)c(Br)s1 ZINC000168567523 400758345 /nfs/dbraw/zinc/75/83/45/400758345.db2.gz WGLAPDJLYMMGPV-LURJTMIESA-N 1 0 309.026 3.296 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000605740752 400884493 /nfs/dbraw/zinc/88/44/93/400884493.db2.gz YKPNHZAYMSTIHH-UHFFFAOYSA-N 1 0 308.223 3.495 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183224659 400900047 /nfs/dbraw/zinc/90/00/47/400900047.db2.gz PJMPSVPKSGGAMB-GOSISDBHSA-N 1 0 313.445 3.052 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OC ZINC000188302993 400908131 /nfs/dbraw/zinc/90/81/31/400908131.db2.gz HSWKJQUDTAHBDS-KDOFPFPSSA-N 1 0 305.418 3.117 10 30 DGEERO C[C@@]1(/[N+](O)=C/c2ccc(Br)cc2)CCCCC1=O ZINC000225399016 400956417 /nfs/dbraw/zinc/95/64/17/400956417.db2.gz PNTOHYMFZCUJFH-KWZJRMENSA-N 1 0 311.199 3.172 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000620309873 401053512 /nfs/dbraw/zinc/05/35/12/401053512.db2.gz GCRVPCSWYLJKGY-GASCZTMLSA-N 1 0 302.418 3.445 10 30 DGEERO N#CCCCC[C@H]([NH3+])C(=O)NCc1c(Cl)cccc1Cl ZINC000594428093 401064905 /nfs/dbraw/zinc/06/49/05/401064905.db2.gz LCJLWSCTMATFJD-ZDUSSCGKSA-N 1 0 314.216 3.021 10 30 DGEERO C=C(C)COCC[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594497528 401081706 /nfs/dbraw/zinc/08/17/06/401081706.db2.gz DJEJEOKNYFIFJR-KRWDZBQOSA-N 1 0 303.402 3.033 10 30 DGEERO C=CCCC[N@@H+](C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246843750 401038127 /nfs/dbraw/zinc/03/81/27/401038127.db2.gz VDBVVJFFLWOXSJ-HKUYNNGSSA-N 1 0 303.446 3.340 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000630023954 401160148 /nfs/dbraw/zinc/16/01/48/401160148.db2.gz QHHSVUJFMBKHRC-CVEARBPZSA-N 1 0 316.445 3.325 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600179900 401211417 /nfs/dbraw/zinc/21/14/17/401211417.db2.gz XEOIWOHRCVUBNG-ZBFHGGJFSA-N 1 0 302.418 3.483 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000594968969 401213159 /nfs/dbraw/zinc/21/31/59/401213159.db2.gz YCCCHSPBUAOZLR-WHSLLNHNSA-N 1 0 307.459 3.031 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000600182906 401213277 /nfs/dbraw/zinc/21/32/77/401213277.db2.gz AWXZYHCEBKNVIB-UHFFFAOYSA-N 1 0 321.465 3.143 10 30 DGEERO C=C(C)CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796208 401221555 /nfs/dbraw/zinc/22/15/55/401221555.db2.gz ILLFGDFPZIHLBT-INIZCTEOSA-N 1 0 324.262 3.225 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000625700575 401185650 /nfs/dbraw/zinc/18/56/50/401185650.db2.gz KSGYMYFUOXYGHH-LLVKDONJSA-N 1 0 305.328 3.413 10 30 DGEERO C=CC[C@H]1CC[N@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000625700428 401185787 /nfs/dbraw/zinc/18/57/87/401185787.db2.gz BUMYJQWPGXSJLU-AZUAARDMSA-N 1 0 314.473 3.176 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2CC)C1 ZINC000625702842 401185866 /nfs/dbraw/zinc/18/58/66/401185866.db2.gz JFJBWWNFESBKGU-HOCLYGCPSA-N 1 0 318.486 3.482 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2CC)C1 ZINC000625702838 401186281 /nfs/dbraw/zinc/18/62/81/401186281.db2.gz JFJBWWNFESBKGU-GDBMZVCRSA-N 1 0 318.486 3.482 10 30 DGEERO C=CC[C@H]1CC[N@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000625705150 401187716 /nfs/dbraw/zinc/18/77/16/401187716.db2.gz XNRSAKNLZSZEKJ-AWEZNQCLSA-N 1 0 302.443 3.023 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000625705831 401188336 /nfs/dbraw/zinc/18/83/36/401188336.db2.gz ZOILAEZGDKQVDE-LBPRGKRZSA-N 1 0 310.344 3.125 10 30 DGEERO C=CCn1c(C2CCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634341849 401266694 /nfs/dbraw/zinc/26/66/94/401266694.db2.gz OKHAWMMKABNZAX-UHFFFAOYSA-N 1 0 317.481 3.042 10 30 DGEERO C=C(C)CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626383339 401350180 /nfs/dbraw/zinc/35/01/80/401350180.db2.gz NOKMOUZWSVTFJN-RBUKOAKNSA-N 1 0 312.457 3.179 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000630921438 401354223 /nfs/dbraw/zinc/35/42/23/401354223.db2.gz JWPQBXWNYRQMCW-QGZVFWFLSA-N 1 0 304.478 3.457 10 30 DGEERO C=CCN(C(=O)C1CCN(c2cc[nH+]cc2C)CC1)C(C)(C)C ZINC000622944492 401441893 /nfs/dbraw/zinc/44/18/93/401441893.db2.gz UYRVPVLCQARASQ-UHFFFAOYSA-N 1 0 315.461 3.420 10 30 DGEERO C=CC(C)(C)CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000627093311 401442102 /nfs/dbraw/zinc/44/21/02/401442102.db2.gz JNEUBTFPIHDTJP-INIZCTEOSA-N 1 0 303.450 3.368 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000623466736 401524456 /nfs/dbraw/zinc/52/44/56/401524456.db2.gz KHYFUYJXRNLRQG-KSZLIROESA-N 1 0 321.509 3.352 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1OC ZINC000623474866 401526450 /nfs/dbraw/zinc/52/64/50/401526450.db2.gz SZXUWYXIRZZBDE-NSHDSACASA-N 1 0 321.808 3.487 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000623518861 401537917 /nfs/dbraw/zinc/53/79/17/401537917.db2.gz NGSZVTYPRBDDBP-MRXNPFEDSA-N 1 0 319.493 3.249 10 30 DGEERO C=C1CC(C)(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000632041911 401573255 /nfs/dbraw/zinc/57/32/55/401573255.db2.gz AMFJCYTZNAGVOW-HNNXBMFYSA-N 1 0 313.445 3.080 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)ccc1OC ZINC000623753014 401576231 /nfs/dbraw/zinc/57/62/31/401576231.db2.gz PWIHHAZKZDIZNM-SJLPKXTDSA-N 1 0 317.429 3.307 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000623539959 401542197 /nfs/dbraw/zinc/54/21/97/401542197.db2.gz FGGNXSLEMLPYTH-CVEARBPZSA-N 1 0 303.402 3.060 10 30 DGEERO C=CCC1([NH2+]Cc2cc(OCC)c(OC)cc2F)CCOCC1 ZINC000623564503 401547698 /nfs/dbraw/zinc/54/76/98/401547698.db2.gz FZDMKWINPGGXQA-UHFFFAOYSA-N 1 0 323.408 3.448 10 30 DGEERO COc1ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1C#N ZINC000246531274 165524581 /nfs/dbraw/zinc/52/45/81/165524581.db2.gz AIESQRZSQUAFNL-QWFCFKBJSA-N 1 0 304.393 3.242 10 30 DGEERO C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000246668932 432153512 /nfs/dbraw/zinc/15/35/12/432153512.db2.gz LZFMPKKFRNHISR-XYPHTWIQSA-N 1 0 300.402 3.111 10 30 DGEERO Cc1ccc([C@H]2CCCCN2CC(=O)N[C@](C)(C#N)C(C)C)o1 ZINC000246780841 432165119 /nfs/dbraw/zinc/16/51/19/432165119.db2.gz OOIQGQBHXRURBF-CRAIPNDOSA-N 1 0 317.433 3.170 10 30 DGEERO C[C@H](C#N)Oc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127721026 227006210 /nfs/dbraw/zinc/00/62/10/227006210.db2.gz UPOGQJWXCOHIMQ-MRXNPFEDSA-N 1 0 313.445 3.038 10 30 DGEERO Cc1cccc(NC[C@H]2CC[N@H+](CCCC(C)(C)C#N)C2)n1 ZINC000174839209 228293972 /nfs/dbraw/zinc/29/39/72/228293972.db2.gz YGSDVQLUKHWZPL-MRXNPFEDSA-N 1 0 300.450 3.454 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000162434516 228258280 /nfs/dbraw/zinc/25/82/80/228258280.db2.gz QPYFQCCRIOHAQZ-UHFFFAOYSA-N 1 0 313.445 3.061 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OCC#N)cc1 ZINC000181565759 228363547 /nfs/dbraw/zinc/36/35/47/228363547.db2.gz BXCXAFAWQQZDDT-CYBMUJFWSA-N 1 0 314.360 3.071 10 30 DGEERO Cc1ccc(NC(=[NH2+])NC[C@H](O)c2ccc(Cl)s2)cc1C ZINC000262544914 228644632 /nfs/dbraw/zinc/64/46/32/228644632.db2.gz UQQCBYNBEMPJBH-LBPRGKRZSA-N 1 0 323.849 3.479 10 30 DGEERO O=C(Cc1ccc2n[nH]cc2c1)NC1CC([NH+]2CCCCC2)C1 ZINC000330113495 228977388 /nfs/dbraw/zinc/97/73/88/228977388.db2.gz SFPFBFXALNCARW-UHFFFAOYSA-N 1 0 312.417 3.079 10 30 DGEERO N#Cc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000302179510 230145287 /nfs/dbraw/zinc/14/52/87/230145287.db2.gz RLYLRDARRWXNCD-LSTHTHJFSA-N 1 0 318.424 3.276 10 30 DGEERO Cc1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1C#N ZINC000302674028 230342441 /nfs/dbraw/zinc/34/24/41/230342441.db2.gz SUSYJUDZJUFJQA-SFHVURJKSA-N 1 0 320.440 3.238 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(C#N)cc1F ZINC000358580428 270004115 /nfs/dbraw/zinc/00/41/15/270004115.db2.gz XVHDNNIHLIJDOE-DZGCQCFKSA-N 1 0 318.392 3.076 10 30 DGEERO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000151259673 432233470 /nfs/dbraw/zinc/23/34/70/432233470.db2.gz BQIOOXMWSLVUII-NSHDSACASA-N 1 0 318.833 3.037 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(CC)on1)C(C)C ZINC000606956771 425070857 /nfs/dbraw/zinc/07/08/57/425070857.db2.gz AAMSTOMNODEVLY-HNNXBMFYSA-N 1 0 320.437 3.057 10 30 DGEERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358566052 267146318 /nfs/dbraw/zinc/14/63/18/267146318.db2.gz ICOGHEPHQVVFAM-NEPJUHHUSA-N 1 0 306.381 3.468 10 30 DGEERO N#Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000367348404 268001344 /nfs/dbraw/zinc/00/13/44/268001344.db2.gz ODZCBONKHLMEML-QUCCMNQESA-N 1 0 318.424 3.197 10 30 DGEERO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000365636665 268099950 /nfs/dbraw/zinc/09/99/50/268099950.db2.gz KDGLHPMFOIDUER-UHFFFAOYSA-N 1 0 303.793 3.169 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000343492914 273486828 /nfs/dbraw/zinc/48/68/28/273486828.db2.gz CTGCCQMZUYYMOS-DZGCQCFKSA-N 1 0 310.235 3.353 10 30 DGEERO Cc1c([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cnn1C(C)C ZINC000191372946 432256619 /nfs/dbraw/zinc/25/66/19/432256619.db2.gz SODJWOYVVMVIBT-CQSZACIVSA-N 1 0 312.417 3.374 10 30 DGEERO O[C@]12CCCC[C@@H]1C[N@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000157185404 275060613 /nfs/dbraw/zinc/06/06/13/275060613.db2.gz YDGKDRVOZGEVNR-AEFFLSMTSA-N 1 0 303.833 3.319 10 30 DGEERO C[NH+]=C(NCc1ncccc1C)N1CC=C(c2ccccc2)CC1 ZINC000129242731 275408914 /nfs/dbraw/zinc/40/89/14/275408914.db2.gz KKWZUEUCQFOTJO-UHFFFAOYSA-N 1 0 320.440 3.255 10 30 DGEERO CC[NH+]=C(NCC1CCSCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261679856 276095430 /nfs/dbraw/zinc/09/54/30/276095430.db2.gz HNFIHNRXXAYELZ-IYBDPMFKSA-N 1 0 309.523 3.217 10 30 DGEERO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000120044917 276354601 /nfs/dbraw/zinc/35/46/01/276354601.db2.gz LFVDSNNJIUWXDY-OAHLLOKOSA-N 1 0 307.397 3.407 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000076735858 431560485 /nfs/dbraw/zinc/56/04/85/431560485.db2.gz CCCKFQVUVPLRJR-AWEZNQCLSA-N 1 0 322.424 3.079 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000076734476 431560639 /nfs/dbraw/zinc/56/06/39/431560639.db2.gz XEZJIZIFNUCOJR-OAHLLOKOSA-N 1 0 306.475 3.482 10 30 DGEERO C=CCCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000076736933 431562666 /nfs/dbraw/zinc/56/26/66/431562666.db2.gz BTEDNCQVGGSPJC-UHFFFAOYSA-N 1 0 305.378 3.130 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCC[C@H]2C(=O)N(CC)CC)c1 ZINC000120178700 431725503 /nfs/dbraw/zinc/72/55/03/431725503.db2.gz JBXJBGCZTPUTLH-SFHVURJKSA-N 1 0 316.445 3.084 10 30 DGEERO Cc1cc(C)c(C[NH2+]Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000123505437 431867500 /nfs/dbraw/zinc/86/75/00/431867500.db2.gz XTTGAYLZWFGVKX-UHFFFAOYSA-N 1 0 304.397 3.421 10 30 DGEERO C=CCc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1O ZINC000093644159 431915144 /nfs/dbraw/zinc/91/51/44/431915144.db2.gz DERIMUBUZXWLKP-PBHICJAKSA-N 1 0 318.461 3.044 10 30 DGEERO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000093644456 431915939 /nfs/dbraw/zinc/91/59/39/431915939.db2.gz GHTAHDKHWUOSEB-DOTOQJQBSA-N 1 0 318.461 3.175 10 30 DGEERO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cc1OC ZINC000093492442 431916030 /nfs/dbraw/zinc/91/60/30/431916030.db2.gz VKUVBIDRKGEPJM-LLVKDONJSA-N 1 0 302.399 3.488 10 30 DGEERO C#CCCOc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093691329 431916819 /nfs/dbraw/zinc/91/68/19/431916819.db2.gz JXTUMMSSLWAVRQ-FQEVSTJZSA-N 1 0 322.408 3.137 10 30 DGEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000248745838 432316349 /nfs/dbraw/zinc/31/63/49/432316349.db2.gz BBDTVONDZAPHPO-MCIONIFRSA-N 1 0 305.372 3.215 10 30 DGEERO COc1cc(C[N@H+](CC#Cc2ccccc2)C2CC2)ccc1O ZINC000192135128 432335103 /nfs/dbraw/zinc/33/51/03/432335103.db2.gz JACWJYKLRGOMNQ-UHFFFAOYSA-N 1 0 307.393 3.417 10 30 DGEERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)cc1C ZINC000249146244 432341346 /nfs/dbraw/zinc/34/13/46/432341346.db2.gz UDRGYVRDUXZGDJ-NJAFHUGGSA-N 1 0 312.413 3.173 10 30 DGEERO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000249157249 432341513 /nfs/dbraw/zinc/34/15/13/432341513.db2.gz YZRWVPUDPZFSCZ-GDBMZVCRSA-N 1 0 314.429 3.119 10 30 DGEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000249402953 432347120 /nfs/dbraw/zinc/34/71/20/432347120.db2.gz VOLFHEDFIKMSTH-XJKSGUPXSA-N 1 0 300.402 3.283 10 30 DGEERO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCC1 ZINC000184653644 432417225 /nfs/dbraw/zinc/41/72/25/432417225.db2.gz WZSSUGTZSJAHSE-LLVKDONJSA-N 1 0 305.809 3.318 10 30 DGEERO CC(C)C[C@H](CO)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185341424 432492293 /nfs/dbraw/zinc/49/22/93/432492293.db2.gz DKVDCGJVBGKFMS-MRXNPFEDSA-N 1 0 313.363 3.396 10 30 DGEERO C=CCCCCC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000193337582 432466086 /nfs/dbraw/zinc/46/60/86/432466086.db2.gz WUZYDDJHFCGAHC-UHFFFAOYSA-N 1 0 318.465 3.201 10 30 DGEERO N#Cc1ccc([C@@H](O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186151214 432563526 /nfs/dbraw/zinc/56/35/26/432563526.db2.gz VYBBNBGYGXUGBV-IBGZPJMESA-N 1 0 304.393 3.139 10 30 DGEERO C[C@H]1CCC[N@@H+]1C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000154936678 432530646 /nfs/dbraw/zinc/53/06/46/432530646.db2.gz CETDCGWNHZXOEA-LBPRGKRZSA-N 1 0 305.372 3.290 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000185919612 432546290 /nfs/dbraw/zinc/54/62/90/432546290.db2.gz KJZYOVIFJVRCGK-HZPDHXFCSA-N 1 0 315.461 3.326 10 30 DGEERO CCn1cc(C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cn1 ZINC000186194693 432567459 /nfs/dbraw/zinc/56/74/59/432567459.db2.gz GBGSZCCMWJXTGP-UHFFFAOYSA-N 1 0 308.429 3.463 10 30 DGEERO CCS[C@H]1CCC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000176983606 432572566 /nfs/dbraw/zinc/57/25/66/432572566.db2.gz CIMTYCQKUHJQIU-ZBFHGGJFSA-N 1 0 314.458 3.360 10 30 DGEERO Clc1cccc(C#CCN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000156156166 432589964 /nfs/dbraw/zinc/58/99/64/432589964.db2.gz AZNFJLWUYXYBJQ-UHFFFAOYSA-N 1 0 316.876 3.499 10 30 DGEERO C#CCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156720577 432604248 /nfs/dbraw/zinc/60/42/48/432604248.db2.gz OFZUITUFCWXZTM-HZPDHXFCSA-N 1 0 308.466 3.415 10 30 DGEERO Cc1c(NCc2cnc3ccc(C#N)cn23)cnn1C1CCCC1 ZINC000195455572 432623615 /nfs/dbraw/zinc/62/36/15/432623615.db2.gz LBRJTMGEDJNPAH-UHFFFAOYSA-N 1 0 320.400 3.438 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186700436 432624548 /nfs/dbraw/zinc/62/45/48/432624548.db2.gz NUCGRGQYFCYPSJ-HOCLYGCPSA-N 1 0 306.425 3.404 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000186712451 432624988 /nfs/dbraw/zinc/62/49/88/432624988.db2.gz HJXFCQXRLJJXEA-CMPLNLGQSA-N 1 0 314.223 3.045 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000186712421 432625154 /nfs/dbraw/zinc/62/51/54/432625154.db2.gz HJXFCQXRLJJXEA-JQWIXIFHSA-N 1 0 314.223 3.045 10 30 DGEERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C#N)cc1C ZINC000162198226 432816271 /nfs/dbraw/zinc/81/62/71/432816271.db2.gz JUXCKWPIOJPLFW-UHFFFAOYSA-N 1 0 315.461 3.307 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)ccc1OC ZINC000277631951 432865838 /nfs/dbraw/zinc/86/58/38/432865838.db2.gz CHVZWNHEPZQSJJ-GOEBONIOSA-N 1 0 305.418 3.165 10 30 DGEERO C[N@@H+]1CCC[C@@H]2CN(CC#Cc3cccc(Cl)c3)CC[C@H]21 ZINC000245902209 432869136 /nfs/dbraw/zinc/86/91/36/432869136.db2.gz BHERZXDNKYHVEK-SJLPKXTDSA-N 1 0 302.849 3.108 10 30 DGEERO C=C(CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000288131264 432888101 /nfs/dbraw/zinc/88/81/01/432888101.db2.gz XJWUCSGRYURUSY-FUHWJXTLSA-N 1 0 315.461 3.072 10 30 DGEERO CCOc1nccc(C)c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330064876 432891408 /nfs/dbraw/zinc/89/14/08/432891408.db2.gz RNOIBNKJFXFMRD-UHFFFAOYSA-N 1 0 317.433 3.110 10 30 DGEERO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245536402 432839776 /nfs/dbraw/zinc/83/97/76/432839776.db2.gz HXPJIAAJNGKBGO-RTBURBONSA-N 1 0 313.445 3.180 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245614675 432850502 /nfs/dbraw/zinc/85/05/02/432850502.db2.gz CNXZWJQYWFVOFF-DLBZAZTESA-N 1 0 301.434 3.039 10 30 DGEERO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245700055 432856492 /nfs/dbraw/zinc/85/64/92/432856492.db2.gz CXNAKRDECKAQOZ-QAPCUYQASA-N 1 0 324.428 3.147 10 30 DGEERO C#Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000289206613 432933921 /nfs/dbraw/zinc/93/39/21/432933921.db2.gz IDTKVQVDHHDJNX-UHFFFAOYSA-N 1 0 318.420 3.475 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000330211654 432897560 /nfs/dbraw/zinc/89/75/60/432897560.db2.gz DDGKPDUSLJKLJF-BXMYJNTISA-N 1 0 308.466 3.313 10 30 DGEERO O=C(NC1CC1)[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000330200503 432897710 /nfs/dbraw/zinc/89/77/10/432897710.db2.gz AITYDQLDJTZAAA-BRWVUGGUSA-N 1 0 300.402 3.004 10 30 DGEERO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000330235245 432898804 /nfs/dbraw/zinc/89/88/04/432898804.db2.gz TUUAUIYWCPUBTH-PJODQICGSA-N 1 0 306.381 3.268 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3cnccc3c2)CC1 ZINC000297037152 432951401 /nfs/dbraw/zinc/95/14/01/432951401.db2.gz VLDDYRVZNFZWIM-UHFFFAOYSA-N 1 0 324.428 3.397 10 30 DGEERO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000361267512 433073530 /nfs/dbraw/zinc/07/35/30/433073530.db2.gz RVDXMEKMBPABCS-CQSZACIVSA-N 1 0 312.417 3.302 10 30 DGEERO C=CCOc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1OC ZINC000291366433 433232543 /nfs/dbraw/zinc/23/25/43/433232543.db2.gz YYCAUFMLFQPAKB-INIZCTEOSA-N 1 0 305.418 3.259 10 30 DGEERO C=CC[N@@H+](CCOC)Cc1ccc(Br)c(F)c1 ZINC000361634876 433306327 /nfs/dbraw/zinc/30/63/27/433306327.db2.gz CLOMESZZYQSYMQ-UHFFFAOYSA-N 1 0 302.187 3.223 10 30 DGEERO C=CCCCNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000447982023 433336254 /nfs/dbraw/zinc/33/62/54/433336254.db2.gz IASDKPWCCZKNGR-UHFFFAOYSA-N 1 0 315.461 3.089 10 30 DGEERO C=CCCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000447993057 433344111 /nfs/dbraw/zinc/34/41/11/433344111.db2.gz YIJLDRJKSRRKRQ-UHFFFAOYSA-N 1 0 315.461 3.438 10 30 DGEERO C=CCC[C@H](NC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000375176916 433384031 /nfs/dbraw/zinc/38/40/31/433384031.db2.gz XYPLYAHCPNIVTR-SFHVURJKSA-N 1 0 313.445 3.184 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(OC(F)F)c1 ZINC000341983063 433396345 /nfs/dbraw/zinc/39/63/45/433396345.db2.gz DWMLMOXQGOYBKA-KRWDZBQOSA-N 1 0 322.355 3.162 10 30 DGEERO C=CCc1cc(C[NH2+][C@H]2CCO[C@H](CC)C2)cc(OC)c1O ZINC000421395159 433543243 /nfs/dbraw/zinc/54/32/43/433543243.db2.gz YHVOLSACMXSHLM-JKSUJKDBSA-N 1 0 305.418 3.177 10 30 DGEERO C#CCCOc1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000376018852 433641695 /nfs/dbraw/zinc/64/16/95/433641695.db2.gz LKEKCBDPJIHYTE-UHFFFAOYSA-N 1 0 312.457 3.195 10 30 DGEERO Cc1cc(NCCCC[N@H+]2CCC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301793037 433727288 /nfs/dbraw/zinc/72/72/88/433727288.db2.gz RONKFZZPEUZZDP-CQSZACIVSA-N 1 0 300.450 3.494 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000343492918 433811485 /nfs/dbraw/zinc/81/14/85/433811485.db2.gz CTGCCQMZUYYMOS-UKRRQHHQSA-N 1 0 310.235 3.353 10 30 DGEERO Cc1ccc([C@@H](CNc2ccc(C)c(C#N)n2)[NH+]2CCCC2)o1 ZINC000302627004 433829295 /nfs/dbraw/zinc/82/92/95/433829295.db2.gz IIALJPYCFCZVCT-MRXNPFEDSA-N 1 0 310.401 3.412 10 30 DGEERO CC#CCCCC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000376953410 433841058 /nfs/dbraw/zinc/84/10/58/433841058.db2.gz FNTHFGFABZPXDJ-GOSISDBHSA-N 1 0 312.457 3.303 10 30 DGEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000285100022 433920393 /nfs/dbraw/zinc/92/03/93/433920393.db2.gz LTKZOBPROUFCSN-VQIMIIECSA-N 1 0 306.409 3.238 10 30 DGEERO C=CCc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC)cc(OC)c1O ZINC000362965965 433934615 /nfs/dbraw/zinc/93/46/15/433934615.db2.gz HRJLHZRMRWEWLJ-HOTGVXAUSA-N 1 0 305.418 3.177 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1[nH]ccc1C1CC1)C(C)C ZINC000457550434 434232883 /nfs/dbraw/zinc/23/28/83/434232883.db2.gz CHNNJNFBFPZJPK-QGZVFWFLSA-N 1 0 315.461 3.321 10 30 DGEERO C#CCOc1ccccc1C[NH2+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000365129826 434287746 /nfs/dbraw/zinc/28/77/46/434287746.db2.gz DGZOBLGOEYHPKC-GOSISDBHSA-N 1 0 323.440 3.123 10 30 DGEERO C#CCC1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCCC1 ZINC000365033243 434287979 /nfs/dbraw/zinc/28/79/79/434287979.db2.gz OIYGNWIBHBRIHC-UHFFFAOYSA-N 1 0 316.489 3.295 10 30 DGEERO Cc1nc(C(C)C)oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000328835563 434318689 /nfs/dbraw/zinc/31/86/89/434318689.db2.gz MKUQCFGCQGZZFO-AGUYFDCRSA-N 1 0 305.422 3.426 10 30 DGEERO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358560638 434394844 /nfs/dbraw/zinc/39/48/44/434394844.db2.gz FKNYPKLQLMNYAD-YVLOBAKFSA-N 1 0 322.449 3.428 10 30 DGEERO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358591217 434399915 /nfs/dbraw/zinc/39/99/15/434399915.db2.gz OCVICLUJEXWHJS-RHSMWYFYSA-N 1 0 312.388 3.199 10 30 DGEERO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000450788179 434406802 /nfs/dbraw/zinc/40/68/02/434406802.db2.gz CVHYJTCBYCXSCP-LJQANCHMSA-N 1 0 300.446 3.370 10 30 DGEERO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000329543164 434428120 /nfs/dbraw/zinc/42/81/20/434428120.db2.gz YDPIBXPULSPSEH-QZTJIDSGSA-N 1 0 324.428 3.097 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000287954760 434488598 /nfs/dbraw/zinc/48/85/98/434488598.db2.gz ICXRNPLCESNFNS-NVXWUHKLSA-N 1 0 303.450 3.285 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458207879 434527066 /nfs/dbraw/zinc/52/70/66/434527066.db2.gz IVQSNJVYQMNMQV-OAHLLOKOSA-N 1 0 304.434 3.476 10 30 DGEERO C#CCOc1ccc(C[NH+]2CCC(c3nccc(C)n3)CC2)cc1 ZINC000368285057 434570164 /nfs/dbraw/zinc/57/01/64/434570164.db2.gz SDSPSLVLRPXFLL-UHFFFAOYSA-N 1 0 321.424 3.177 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)cc1 ZINC000370581028 434615817 /nfs/dbraw/zinc/61/58/17/434615817.db2.gz ZVQDVHJLRQWYEA-UHFFFAOYSA-N 1 0 320.396 3.326 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000424171276 434644188 /nfs/dbraw/zinc/64/41/88/434644188.db2.gz KJYARPVORHRVSM-ZFWWWQNUSA-N 1 0 323.820 3.182 10 30 DGEERO C=CCN1CC[C@H]([N@@H+](C)[C@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382867 434644675 /nfs/dbraw/zinc/64/46/75/434644675.db2.gz BSPUGXHXIOPOMH-ZWKOTPCHSA-N 1 0 318.436 3.112 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000424170855 434644697 /nfs/dbraw/zinc/64/46/97/434644697.db2.gz JXYRDMLPPWZJGH-PXNSSMCTSA-N 1 0 324.424 3.341 10 30 DGEERO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](c2ccccc2C)C(C)C)C1=O ZINC000410394064 434645999 /nfs/dbraw/zinc/64/59/99/434645999.db2.gz TZPPBDMUKKUOPA-QZTJIDSGSA-N 1 0 300.446 3.411 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000424175589 434646428 /nfs/dbraw/zinc/64/64/28/434646428.db2.gz VJHJSRJTYFSHAY-LPHOPBHVSA-N 1 0 311.429 3.076 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000424177246 434646725 /nfs/dbraw/zinc/64/67/25/434646725.db2.gz SXGVFNDVXCDDDN-LULLPPNCSA-N 1 0 300.446 3.003 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000424175276 434647259 /nfs/dbraw/zinc/64/72/59/434647259.db2.gz UEULPKVZGFOQSV-LPHOPBHVSA-N 1 0 311.429 3.076 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000424294381 434681881 /nfs/dbraw/zinc/68/18/81/434681881.db2.gz KTXMKEVOOGOQNB-WNHJNPCNSA-N 1 0 301.430 3.335 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1CC ZINC000424296460 434683568 /nfs/dbraw/zinc/68/35/68/434683568.db2.gz OPPJLZWVMPVOHM-HFTRVMKXSA-N 1 0 316.445 3.147 10 30 DGEERO C=CCC1(C(=O)N(C)CC[N@H+](C)C2CCCCC2)CCOCC1 ZINC000424612022 434759579 /nfs/dbraw/zinc/75/95/79/434759579.db2.gz DYNVBVWBYCKXJS-UHFFFAOYSA-N 1 0 322.493 3.082 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575896293 435053003 /nfs/dbraw/zinc/05/30/03/435053003.db2.gz JFJYOTCEGZIDPE-AEFFLSMTSA-N 1 0 315.461 3.257 10 30 DGEERO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000467415083 435120196 /nfs/dbraw/zinc/12/01/96/435120196.db2.gz CUFMKYYVMBSEHG-PBHICJAKSA-N 1 0 312.388 3.260 10 30 DGEERO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1)OCC ZINC000580655677 435237093 /nfs/dbraw/zinc/23/70/93/435237093.db2.gz FGGYATRVFCYTOO-QGZVFWFLSA-N 1 0 322.493 3.152 10 30 DGEERO C=CCOc1ccccc1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000564718823 435273772 /nfs/dbraw/zinc/27/37/72/435273772.db2.gz PHNRBHZZDLXXCP-LJQANCHMSA-N 1 0 311.425 3.287 10 30 DGEERO C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000535809804 435357326 /nfs/dbraw/zinc/35/73/26/435357326.db2.gz JDMPARIFEJYGAV-ZWKOTPCHSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000537186140 435427930 /nfs/dbraw/zinc/42/79/30/435427930.db2.gz IZFHEIHEYQHDHY-SZMVWBNQSA-N 1 0 315.461 3.476 10 30 DGEERO C[C@H]1C[C@@H](CCNc2ccncc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000548162447 435674292 /nfs/dbraw/zinc/67/42/92/435674292.db2.gz DUNRVGSTELGRNS-FUHWJXTLSA-N 1 0 320.440 3.088 10 30 DGEERO C[N@@H+]1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000572831303 435874470 /nfs/dbraw/zinc/87/44/70/435874470.db2.gz JTQLDOZUMWLVHH-UXLLHSPISA-N 1 0 316.474 3.164 10 30 DGEERO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000182304409 323291801 /nfs/dbraw/zinc/29/18/01/323291801.db2.gz FMCMFOSRMIQCIQ-ZDUSSCGKSA-N 1 0 310.353 3.017 10 30 DGEERO C=CCCCCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000569903273 332691357 /nfs/dbraw/zinc/69/13/57/332691357.db2.gz JIMKKZVJQUWMHA-AWEZNQCLSA-N 1 0 310.463 3.455 10 30 DGEERO C=C(C)COCC[NH2+]Cc1ccc(Br)cc1OC ZINC000180959672 337178925 /nfs/dbraw/zinc/17/89/25/337178925.db2.gz HCXORCXLKWGVBW-UHFFFAOYSA-N 1 0 314.223 3.140 10 30 DGEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])NC3CCCCC3)C2)cc1F ZINC000261626725 337606730 /nfs/dbraw/zinc/60/67/30/337606730.db2.gz DWYMASRDGDPWSX-CTYIDZIISA-N 1 0 319.424 3.317 10 30 DGEERO COc1c(CNC(=[NH2+])NC2CCCCC2)oc2ccccc21 ZINC000262460662 337618336 /nfs/dbraw/zinc/61/83/36/337618336.db2.gz FUSZBJQACPRLPW-UHFFFAOYSA-N 1 0 301.390 3.178 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2CC=CCC2)CC1 ZINC000527730876 337759426 /nfs/dbraw/zinc/75/94/26/337759426.db2.gz RCTDYWNLAJRHOF-INIZCTEOSA-N 1 0 305.466 3.073 10 30 DGEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000174879753 340398183 /nfs/dbraw/zinc/39/81/83/340398183.db2.gz IZTAPUDQIXELML-AWEZNQCLSA-N 1 0 309.454 3.305 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000517093970 340463730 /nfs/dbraw/zinc/46/37/30/340463730.db2.gz ZXBVBDULFIAALF-OAHLLOKOSA-N 1 0 301.434 3.364 10 30 DGEERO C=CCN(CC1CCCCC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529355398 340753306 /nfs/dbraw/zinc/75/33/06/340753306.db2.gz CEPSWEZWJUCYPQ-INIZCTEOSA-N 1 0 305.466 3.049 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000076971113 341216403 /nfs/dbraw/zinc/21/64/03/341216403.db2.gz VSYUMYLJWDWIIJ-KRWDZBQOSA-N 1 0 303.450 3.205 10 30 DGEERO O[C@]12CCCC[C@H]1C[N@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000245980123 341320915 /nfs/dbraw/zinc/32/09/15/341320915.db2.gz YDGKDRVOZGEVNR-WMZOPIPTSA-N 1 0 303.833 3.319 10 30 DGEERO C=CC(C)(C)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000384865709 1177140456 /nfs/dbraw/zinc/14/04/56/1177140456.db2.gz POMAJADJFCRLSG-UHFFFAOYSA-N 1 0 312.207 3.480 10 30 DGEERO Cc1ccc[n+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000182241177 534548165 /nfs/dbraw/zinc/54/81/65/534548165.db2.gz BMWFMSYLJDQYJV-HNNXBMFYSA-N 1 0 305.760 3.053 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc2cc(F)ccc2n1CC ZINC000451676950 534574547 /nfs/dbraw/zinc/57/45/47/534574547.db2.gz BFSOLLNSFDYAQZ-CJNGLKHVSA-N 1 0 303.381 3.019 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000449521819 534609126 /nfs/dbraw/zinc/60/91/26/534609126.db2.gz SNSYKJMFWHKEHN-OLZOCXBDSA-N 1 0 300.171 3.021 10 30 DGEERO C=CCCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493984739 534735668 /nfs/dbraw/zinc/73/56/68/534735668.db2.gz JKGJXSMIWPIIAG-HOCLYGCPSA-N 1 0 310.800 3.307 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@H](C)C1 ZINC000352691738 526350125 /nfs/dbraw/zinc/35/01/25/526350125.db2.gz NDXZSUOLZPZXQE-ZBFHGGJFSA-N 1 0 304.390 3.398 10 30 DGEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)C1CCCCC1 ZINC000352816590 526559720 /nfs/dbraw/zinc/55/97/20/526559720.db2.gz PLTPCEADMQPCKW-SFHVURJKSA-N 1 0 307.434 3.091 10 30 DGEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127737903 526633096 /nfs/dbraw/zinc/63/30/96/526633096.db2.gz RTVQBKQHTQTRDY-KBPBESRZSA-N 1 0 321.490 3.137 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000185143343 526693282 /nfs/dbraw/zinc/69/32/82/526693282.db2.gz KHAJGDVYJSAODM-MRXNPFEDSA-N 1 0 313.445 3.051 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000185094377 526697677 /nfs/dbraw/zinc/69/76/77/526697677.db2.gz JUTKQNGRIVIZQF-MRXNPFEDSA-N 1 0 300.446 3.153 10 30 DGEERO C=CCOCC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000339175110 526783088 /nfs/dbraw/zinc/78/30/88/526783088.db2.gz NYEDVBZTBWXQNP-ROUUACIJSA-N 1 0 324.415 3.281 10 30 DGEERO C=CCOc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000341051552 526845537 /nfs/dbraw/zinc/84/55/37/526845537.db2.gz FCHPUUTXDAGOHG-HOTGVXAUSA-N 1 0 316.445 3.244 10 30 DGEERO C=CCOc1ccc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)cc1 ZINC000346262829 526862162 /nfs/dbraw/zinc/86/21/62/526862162.db2.gz CJBLZOZCXOYVJC-UHFFFAOYSA-N 1 0 316.445 3.131 10 30 DGEERO C=CCOc1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092046380 526867901 /nfs/dbraw/zinc/86/79/01/526867901.db2.gz NHVLVDSINUQIEE-SFHVURJKSA-N 1 0 300.446 3.312 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000355190484 526868495 /nfs/dbraw/zinc/86/84/95/526868495.db2.gz YQJWCBWIBNMAPU-MRXNPFEDSA-N 1 0 312.417 3.058 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000355644867 526874234 /nfs/dbraw/zinc/87/42/34/526874234.db2.gz BJRXYZYNDSRFOQ-LJQANCHMSA-N 1 0 317.429 3.021 10 30 DGEERO C=C(C[NH2+]Cc1cc(OC)c2c(c1)OCCO2)c1ccccc1 ZINC000340433393 526881361 /nfs/dbraw/zinc/88/13/61/526881361.db2.gz BNPWXYXHVIXRKU-UHFFFAOYSA-N 1 0 311.381 3.269 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1Cl ZINC000349300728 526885848 /nfs/dbraw/zinc/88/58/48/526885848.db2.gz SWDGEYDACZSQIU-CYBMUJFWSA-N 1 0 323.742 3.308 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)cc1Cl ZINC000349300729 526886062 /nfs/dbraw/zinc/88/60/62/526886062.db2.gz SWDGEYDACZSQIU-ZDUSSCGKSA-N 1 0 323.742 3.308 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000358145077 526886214 /nfs/dbraw/zinc/88/62/14/526886214.db2.gz VXMMXWGDEYRMIP-UHFFFAOYSA-N 1 0 316.445 3.002 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1OC ZINC000349658249 526890560 /nfs/dbraw/zinc/89/05/60/526890560.db2.gz YSCCLTGOTCNEQA-OAHLLOKOSA-N 1 0 319.426 3.145 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180124561 526899915 /nfs/dbraw/zinc/89/99/15/526899915.db2.gz ODJZXLXLSIBHLE-SFHVURJKSA-N 1 0 311.429 3.421 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000349199089 526930936 /nfs/dbraw/zinc/93/09/36/526930936.db2.gz YCBDKJDVSKTDRS-UHFFFAOYSA-N 1 0 310.388 3.024 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000430154169 526934058 /nfs/dbraw/zinc/93/40/58/526934058.db2.gz WQTGYGGADVRTFO-GOSISDBHSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCCC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000183251369 527076969 /nfs/dbraw/zinc/07/69/69/527076969.db2.gz ZEMCSMQXJQJIBL-MJGOQNOKSA-N 1 0 314.429 3.055 10 30 DGEERO C=CC[C@H](CC)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000346464179 527153909 /nfs/dbraw/zinc/15/39/09/527153909.db2.gz RHDWFUJYZRZQJF-SFHVURJKSA-N 1 0 315.461 3.436 10 30 DGEERO C=CCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000351639585 527160836 /nfs/dbraw/zinc/16/08/36/527160836.db2.gz QJJWVOCARZNDRY-DLBZAZTESA-N 1 0 301.434 3.087 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000415581875 527258746 /nfs/dbraw/zinc/25/87/46/527258746.db2.gz NYWNIBPZWDQIDI-CQSZACIVSA-N 1 0 301.434 3.364 10 30 DGEERO C=CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000351078907 527356238 /nfs/dbraw/zinc/35/62/38/527356238.db2.gz ZKRAFKCNQIGFTO-PMPSAXMXSA-N 1 0 319.497 3.144 10 30 DGEERO CC(C)(C#N)CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000174811677 527461842 /nfs/dbraw/zinc/46/18/42/527461842.db2.gz SAFANUOAMNFSGS-UHFFFAOYSA-N 1 0 311.433 3.239 10 30 DGEERO CC(C)(C#N)CCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000174835114 527463336 /nfs/dbraw/zinc/46/33/36/527463336.db2.gz JANUGNCMEGBXDS-UHFFFAOYSA-N 1 0 319.493 3.477 10 30 DGEERO C=CCC[C@H](CC)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437098156 527466783 /nfs/dbraw/zinc/46/67/83/527466783.db2.gz PRPMVYWKEOONAI-INIZCTEOSA-N 1 0 302.397 3.300 10 30 DGEERO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000135654848 527572222 /nfs/dbraw/zinc/57/22/22/527572222.db2.gz AYEBZEPXHQIAJQ-NUJGCVRESA-N 1 0 300.446 3.287 10 30 DGEERO CCCN(CC[NH+](CC)CC)C(=O)NCC1CCC(C#N)CC1 ZINC000442720779 528076220 /nfs/dbraw/zinc/07/62/20/528076220.db2.gz LVFPGDNXSUZXFC-UHFFFAOYSA-N 1 0 322.497 3.080 10 30 DGEERO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000133783045 528264906 /nfs/dbraw/zinc/26/49/06/528264906.db2.gz WEGILGUEZYVXQS-NVXWUHKLSA-N 1 0 316.449 3.061 10 30 DGEERO CC[C@H](C)n1ncc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1C ZINC000330107719 529287628 /nfs/dbraw/zinc/28/76/28/529287628.db2.gz MNJKZUIHWIAZCC-JEYLPNPQSA-N 1 0 318.465 3.484 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000126688609 545924400 /nfs/dbraw/zinc/92/44/00/545924400.db2.gz DSYLMEVQYAXYNL-LSDHHAIUSA-N 1 0 304.409 3.374 10 30 DGEERO C=CC[N@H+](Cc1cccs1)C[C@@H](O)COc1ccc(C)cc1 ZINC000248019217 546313602 /nfs/dbraw/zinc/31/36/02/546313602.db2.gz LSDVPVBDXIJRQV-MRXNPFEDSA-N 1 0 317.454 3.484 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000349761536 546604032 /nfs/dbraw/zinc/60/40/32/546604032.db2.gz YHHKWGJASBEWPF-HIFRSBDPSA-N 1 0 310.235 3.353 10 30 DGEERO CC(C)OCCC[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000740880944 574944690 /nfs/dbraw/zinc/94/46/90/574944690.db2.gz GYTPZYVPFJFHPH-UHFFFAOYSA-N 1 0 310.825 3.489 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H](CC)c2c(C)nn(C)c2C)cc1 ZINC000742388298 574995846 /nfs/dbraw/zinc/99/58/46/574995846.db2.gz RGACUWUBCVAQHE-GOSISDBHSA-N 1 0 311.429 3.290 10 30 DGEERO N#Cc1ccsc1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000729340234 575237161 /nfs/dbraw/zinc/23/71/61/575237161.db2.gz GIYXFMSQRRYVQG-UHFFFAOYSA-N 1 0 319.474 3.396 10 30 DGEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(CSCC)cc1 ZINC000729812158 575263640 /nfs/dbraw/zinc/26/36/40/575263640.db2.gz NLVRTNCGFFKQLT-QGZVFWFLSA-N 1 0 317.454 3.194 10 30 DGEERO C#Cc1cccc(NC(=S)NCC2CC[NH+](CCC)CC2)c1 ZINC000726488389 576026871 /nfs/dbraw/zinc/02/68/71/576026871.db2.gz SDUSPWUPSPLBAW-UHFFFAOYSA-N 1 0 315.486 3.076 10 30 DGEERO C=CCSc1nc2ccccc2n1C[N@H+](C)C[C@@H]1CCCO1 ZINC000738061014 576076814 /nfs/dbraw/zinc/07/68/14/576076814.db2.gz JLCYHXSEDVYPLB-AWEZNQCLSA-N 1 0 317.458 3.383 10 30 DGEERO C=C(C)CNC(=S)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728446388 576183234 /nfs/dbraw/zinc/18/32/34/576183234.db2.gz SIQGWFKCOJIGFC-INIZCTEOSA-N 1 0 309.523 3.025 10 30 DGEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000119301471 618624455 /nfs/dbraw/zinc/62/44/55/618624455.db2.gz QIPRWKAPKFRGTF-HOTGVXAUSA-N 1 0 306.409 3.142 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000130397633 625844768 /nfs/dbraw/zinc/84/47/68/625844768.db2.gz RKESCAHGVXYKNE-HOCLYGCPSA-N 1 0 301.386 3.446 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1CCC(F)(F)CC1 ZINC000134018236 626850704 /nfs/dbraw/zinc/85/07/04/626850704.db2.gz DBRVFDJJOBASKR-ZDUSSCGKSA-N 1 0 301.377 3.089 10 30 DGEERO CCCC(=O)Nc1cccc(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000104170524 627411720 /nfs/dbraw/zinc/41/17/20/627411720.db2.gz MVCLJNQYGGBWEE-UHFFFAOYSA-N 1 0 316.449 3.162 10 30 DGEERO COc1cccc(NC(=[NH2+])NCCc2c[nH]c3cccc(C)c23)c1 ZINC000104193720 627413191 /nfs/dbraw/zinc/41/31/91/627413191.db2.gz BAFLWLQXVSDXKU-UHFFFAOYSA-N 1 0 322.412 3.454 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C1(c2ccc(F)cc2)CC1 ZINC000121427356 629976545 /nfs/dbraw/zinc/97/65/45/629976545.db2.gz BONGTYNJQKCZGY-HNNXBMFYSA-N 1 0 317.404 3.134 10 30 DGEERO [NH2+]=C(NC1CC(c2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000083052522 660249704 /nfs/dbraw/zinc/24/97/04/660249704.db2.gz GWJKTKYEHYQRFK-LEOMRAHMSA-N 1 0 321.424 3.361 10 30 DGEERO CO[C@](C)(C[NH2+]CC#Cc1ccccc1)COCc1ccccc1 ZINC000702767495 660741466 /nfs/dbraw/zinc/74/14/66/660741466.db2.gz YMEQQKARMSSLIL-OAQYLSRUSA-N 1 0 323.436 3.250 10 30 DGEERO C[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261930957 655703379 /nfs/dbraw/zinc/70/33/79/655703379.db2.gz BIDZIZLUPAUEIW-YDHLFZDLSA-N 1 0 301.434 3.110 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000176201480 655743889 /nfs/dbraw/zinc/74/38/89/655743889.db2.gz SZZICIKNFQRVSH-QZTJIDSGSA-N 1 0 321.428 3.205 10 30 DGEERO C[NH+]=C(NCc1oc2ccccc2c1C)N[C@@H]1CCC[C@@H]1C#N ZINC000262368039 655838472 /nfs/dbraw/zinc/83/84/72/655838472.db2.gz ICXLZYSRYUCQGL-UKRRQHHQSA-N 1 0 310.401 3.099 10 30 DGEERO C#CCSCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000159013741 655844320 /nfs/dbraw/zinc/84/43/20/655844320.db2.gz FHANLAVMQOKPML-UHFFFAOYSA-N 1 0 302.212 3.044 10 30 DGEERO COc1ccc(F)cc1CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000186864611 656134108 /nfs/dbraw/zinc/13/41/08/656134108.db2.gz GBBDWJYQAVKTEA-UHFFFAOYSA-N 1 0 301.365 3.378 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000716932988 661234118 /nfs/dbraw/zinc/23/41/18/661234118.db2.gz GFQVRVOVCSDREI-LLVKDONJSA-N 1 0 316.626 3.230 10 30 DGEERO CC[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1C[C@@H]1C ZINC000261686193 656967584 /nfs/dbraw/zinc/96/75/84/656967584.db2.gz IAWRMXHIACOMJE-QNWHQSFQSA-N 1 0 305.388 3.319 10 30 DGEERO C[NH+]=C(NCc1scnc1C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000261957279 657256718 /nfs/dbraw/zinc/25/67/18/657256718.db2.gz JDPKWNRMSUEJIN-NSHDSACASA-N 1 0 320.437 3.325 10 30 DGEERO CC[NH+]=C(NC1CCC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261968926 657268700 /nfs/dbraw/zinc/26/87/00/657268700.db2.gz MFRWWXAOMPPNDU-HNNXBMFYSA-N 1 0 301.434 3.396 10 30 DGEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@H]1c1ccccc1 ZINC000261981396 657271463 /nfs/dbraw/zinc/27/14/63/657271463.db2.gz IBBSXQGHWOGWQE-JKSUJKDBSA-N 1 0 323.396 3.131 10 30 DGEERO C[C@@H](CNC(=[NH2+])NC1CCCCC1)COCc1ccccc1 ZINC000303902547 657577564 /nfs/dbraw/zinc/57/75/64/657577564.db2.gz XWHZFSSRQBPDEV-HNNXBMFYSA-N 1 0 303.450 3.076 10 30 DGEERO CSc1ccc(CNC(=[NH2+])NCCc2cccs2)cc1 ZINC000303906325 657578528 /nfs/dbraw/zinc/57/85/28/657578528.db2.gz ZWAABFOHMPCGPE-UHFFFAOYSA-N 1 0 305.472 3.117 10 30 DGEERO CCc1cccc(CC)c1NC(=[NH2+])NCc1cccc(OC)n1 ZINC000303984573 657584153 /nfs/dbraw/zinc/58/41/53/657584153.db2.gz SGHAFAKKEOUCNI-UHFFFAOYSA-N 1 0 312.417 3.142 10 30 DGEERO CC(C)CCC[C@@H](C)NC(=[NH2+])NCc1nccn1CC(C)C ZINC000304740590 657645566 /nfs/dbraw/zinc/64/55/66/657645566.db2.gz BTEQYGAHFJQKRI-OAHLLOKOSA-N 1 0 307.486 3.158 10 30 DGEERO CCc1cnc(CCNC(=[NH2+])Nc2ccc(CC)cc2)s1 ZINC000304780095 657651514 /nfs/dbraw/zinc/65/15/14/657651514.db2.gz FRLXKVCYILOHQQ-UHFFFAOYSA-N 1 0 302.447 3.237 10 30 DGEERO CCc1cccc(NC(=[NH2+])NCCCc2c(C)noc2C)c1 ZINC000304818913 657654869 /nfs/dbraw/zinc/65/48/69/657654869.db2.gz ACUGBZGJKIFNAD-UHFFFAOYSA-N 1 0 300.406 3.213 10 30 DGEERO Cc1noc(C)c1CCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000304840960 657655965 /nfs/dbraw/zinc/65/59/65/657655965.db2.gz QGVCKRGIVAFKDG-UHFFFAOYSA-N 1 0 300.406 3.268 10 30 DGEERO CO[C@H](CNC(=[NH2+])NC1CCCCC1)c1ccccc1Cl ZINC000305054548 657669096 /nfs/dbraw/zinc/66/90/96/657669096.db2.gz GBUVGZOJDRFRPV-OAHLLOKOSA-N 1 0 309.841 3.265 10 30 DGEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000262547338 657732943 /nfs/dbraw/zinc/73/29/43/657732943.db2.gz WAGJPWYJKATOIG-BXUZGUMPSA-N 1 0 321.396 3.029 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000305708454 657920458 /nfs/dbraw/zinc/92/04/58/657920458.db2.gz WUEFJLMXIBNSIO-OAHLLOKOSA-N 1 0 321.783 3.248 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CCCCC(F)(F)C1 ZINC000262709165 657956844 /nfs/dbraw/zinc/95/68/44/657956844.db2.gz OPKCPJBCOIPVON-LBPRGKRZSA-N 1 0 315.433 3.411 10 30 DGEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000262788944 658034274 /nfs/dbraw/zinc/03/42/74/658034274.db2.gz KJFPYBQJLULZPT-LSDHHAIUSA-N 1 0 319.861 3.404 10 30 DGEERO [NH2+]=C(NCCc1cccs1)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000262839142 658047880 /nfs/dbraw/zinc/04/78/80/658047880.db2.gz TYFDHGLRSNKNII-CTYIDZIISA-N 1 0 317.433 3.280 10 30 DGEERO CCCc1ncc(CNC(=[NH2+])Nc2cccc3c2CCCC3)o1 ZINC000263200271 658175585 /nfs/dbraw/zinc/17/55/85/658175585.db2.gz XCZQTUJRDJINGR-UHFFFAOYSA-N 1 0 312.417 3.433 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[C@H](C)c1c(C)noc1C ZINC000155860489 658852871 /nfs/dbraw/zinc/85/28/71/658852871.db2.gz QZKMXUOVPNIANO-UONOGXRCSA-N 1 0 320.433 3.062 10 30 DGEERO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1Cl ZINC000046054164 659070281 /nfs/dbraw/zinc/07/02/81/659070281.db2.gz FSYNBYREBDSZGS-KRWDZBQOSA-N 1 0 300.789 3.377 10 30 DGEERO C#CCSCCNc1[nH+]ccc2cc(OC)c(OC)cc21 ZINC000231956844 659407402 /nfs/dbraw/zinc/40/74/02/659407402.db2.gz PWBAGUUOZQWNOJ-UHFFFAOYSA-N 1 0 302.399 3.030 10 30 DGEERO CCc1cnc(CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000174624398 659452010 /nfs/dbraw/zinc/45/20/10/659452010.db2.gz BAKSVHYIQVIUMK-CYBMUJFWSA-N 1 0 315.442 3.329 10 30 DGEERO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C(C)C ZINC000353462246 659984292 /nfs/dbraw/zinc/98/42/92/659984292.db2.gz OILWSCLWUBUTHJ-AEFFLSMTSA-N 1 0 302.466 3.075 10 30 DGEERO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000189731687 661989142 /nfs/dbraw/zinc/98/91/42/661989142.db2.gz KIBZAOIIZOZPEV-QGZVFWFLSA-N 1 0 301.434 3.084 10 30 DGEERO C#CCCCC(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000191097805 662054017 /nfs/dbraw/zinc/05/40/17/662054017.db2.gz SODOEOLFQMKPIL-UHFFFAOYSA-N 1 0 315.413 3.260 10 30 DGEERO CC[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719960390 662299823 /nfs/dbraw/zinc/29/98/23/662299823.db2.gz VZQZHBBUUCUJFR-ROUUACIJSA-N 1 0 313.445 3.049 10 30 DGEERO C=CCOCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000385453976 685173896 /nfs/dbraw/zinc/17/38/96/685173896.db2.gz BDBUKCYEGBOSQF-ZDUSSCGKSA-N 1 0 312.207 3.065 10 30 DGEERO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000389859730 685197084 /nfs/dbraw/zinc/19/70/84/685197084.db2.gz FWOUREALCBAIKV-GHTZIAJQSA-N 1 0 304.437 3.148 10 30 DGEERO C=CCc1cc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc(OC)c1O ZINC000128839141 1176097808 /nfs/dbraw/zinc/09/78/08/1176097808.db2.gz IURIAGQZDRITSY-CHWSQXEVSA-N 1 0 305.418 3.175 10 30 DGEERO N#CCc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000399014677 1176227370 /nfs/dbraw/zinc/22/73/70/1176227370.db2.gz COSAZPQMHOMMEJ-UHFFFAOYSA-N 1 0 305.175 3.398 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1OC ZINC000159060083 1176609633 /nfs/dbraw/zinc/60/96/33/1176609633.db2.gz NCZUVTGUGPOLLM-GOSISDBHSA-N 1 0 321.461 3.393 10 30 DGEERO N#C[C@H]1CC[C@H]([NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)C1 ZINC000328740331 1176646271 /nfs/dbraw/zinc/64/62/71/1176646271.db2.gz IJCUXGKOTBIVHA-JQWIXIFHSA-N 1 0 312.339 3.300 10 30 DGEERO CC[N@@H+]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)C1 ZINC000228181054 1177033781 /nfs/dbraw/zinc/03/37/81/1177033781.db2.gz NVJSNCXKTLALRY-ZDUSSCGKSA-N 1 0 308.223 3.217 10 30 DGEERO CN(CC1([NH+](C)C)CCC1)c1cc(Br)ccc1C#N ZINC000097932760 1199163969 /nfs/dbraw/zinc/16/39/69/1199163969.db2.gz HIQRQUDMVROOGM-UHFFFAOYSA-N 1 0 322.250 3.241 10 30 DGEERO C#C[C@H]([NH2+]Cc1ccc(I)cc1)C(C)C ZINC000300942040 1199396103 /nfs/dbraw/zinc/39/61/03/1199396103.db2.gz OVGBCPDBRHFRKI-ZDUSSCGKSA-N 1 0 313.182 3.039 10 30 DGEERO C=CCSCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000404778574 1199583848 /nfs/dbraw/zinc/58/38/48/1199583848.db2.gz BHEYLSFLPMDAFR-STQMWFEESA-N 1 0 314.495 3.187 10 30 DGEERO C=CC[NH2+]Cc1cc(Cl)ccc1I ZINC000405625109 1199599343 /nfs/dbraw/zinc/59/93/43/1199599343.db2.gz XBOYNOBRUIISJX-UHFFFAOYSA-N 1 0 307.562 3.220 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)cc(OC)c1O ZINC000304651919 1199669462 /nfs/dbraw/zinc/66/94/62/1199669462.db2.gz QQSOKAYYEZQQDW-MJGOQNOKSA-N 1 0 319.445 3.160 10 30 DGEERO C=CCCOCC[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000120834954 1200174810 /nfs/dbraw/zinc/17/48/10/1200174810.db2.gz OWSFQXLIQSDVIW-UHFFFAOYSA-N 1 0 317.408 3.311 10 30 DGEERO C[NH+](C)C(C)(C)CNc1ccc(C#N)c(Br)c1F ZINC000231845443 1202600318 /nfs/dbraw/zinc/60/03/18/1202600318.db2.gz ARVIBBKNCIOCHF-UHFFFAOYSA-N 1 0 314.202 3.212 10 30 DGEERO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N+](C)(C)C1CCCC1 ZINC000015457856 717111854 /nfs/dbraw/zinc/11/18/54/717111854.db2.gz RCQKEASIGSKURE-CYBMUJFWSA-O 1 0 309.861 3.364 10 30 DGEERO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000015457956 717112153 /nfs/dbraw/zinc/11/21/53/717112153.db2.gz DYBXNVSALSOVRH-CYBMUJFWSA-O 1 0 303.426 3.235 10 30 DGEERO Cc1ccc([C@@H](C)NC(=O)C[N+](C)(C)C2CCCC2)cc1C ZINC000029414170 717118273 /nfs/dbraw/zinc/11/82/73/717118273.db2.gz VAEQNRWJQBGXNR-MRXNPFEDSA-O 1 0 303.470 3.500 10 30 DGEERO N#Cc1cccc(OCCCN2CCC=C(Br)C2)c1 ZINC000404486797 1094259253 /nfs/dbraw/zinc/25/92/53/1094259253.db2.gz XJINCBJVFUSZLQ-UHFFFAOYSA-N 1 0 321.218 3.312 10 30 DGEERO C=CCC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)C1CC1 ZINC000278531970 214217592 /nfs/dbraw/zinc/21/75/92/214217592.db2.gz UFUMBZXXFDLECP-IAGOWNOFSA-N 1 0 302.466 3.032 10 30 DGEERO COc1cccc([C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000103462615 432009811 /nfs/dbraw/zinc/00/98/11/432009811.db2.gz YTJKUVDCKLIHFA-MRXNPFEDSA-N 1 0 321.424 3.450 10 30 DGEERO C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159641262 186132404 /nfs/dbraw/zinc/13/24/04/186132404.db2.gz SHKSQBYAVFPTLQ-HNAYVOBHSA-N 1 0 310.441 3.086 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131863864 432041263 /nfs/dbraw/zinc/04/12/63/432041263.db2.gz YYHHSDAXIXILPA-KBXCAEBGSA-N 1 0 310.401 3.048 10 30 DGEERO CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(OC)cc1 ZINC000179327656 432054247 /nfs/dbraw/zinc/05/42/47/432054247.db2.gz XGKVUENZSJRERY-UHFFFAOYSA-N 1 0 320.396 3.237 10 30 DGEERO COc1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1C#N ZINC000169148125 432070967 /nfs/dbraw/zinc/07/09/67/432070967.db2.gz JCJAEBBDSGGKTK-DYVFJYSZSA-N 1 0 308.381 3.221 10 30 DGEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000187703692 200147233 /nfs/dbraw/zinc/14/72/33/200147233.db2.gz VOLFHEDFIKMSTH-CJNGLKHVSA-N 1 0 300.402 3.283 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449497556 240246406 /nfs/dbraw/zinc/24/64/06/240246406.db2.gz ANNSYYZDMDQGAF-MJGOQNOKSA-N 1 0 301.430 3.138 10 30 DGEERO C=CCC[C@@H](CO)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000449699453 240376056 /nfs/dbraw/zinc/37/60/56/240376056.db2.gz QVVZUBBUHGCLFI-KGLIPLIRSA-N 1 0 324.262 3.223 10 30 DGEERO C=CCC[C@H](O)C[N@@H+](CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472763475 244315408 /nfs/dbraw/zinc/31/54/08/244315408.db2.gz ARHLQLBOPXTQBQ-HOJAQTOUSA-N 1 0 316.489 3.471 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000172170876 296144582 /nfs/dbraw/zinc/14/45/82/296144582.db2.gz JUHLQUJXSOAQFI-JKSUJKDBSA-N 1 0 313.445 3.490 10 30 DGEERO CCC[N@@H+](Cc1cc(C#N)ccc1OC)C[C@H]1CCCCO1 ZINC000120869625 284180497 /nfs/dbraw/zinc/18/04/97/284180497.db2.gz AEUFXWZFFVHUPI-QGZVFWFLSA-N 1 0 302.418 3.348 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2cc(C)cc(OC)c2C)CC1 ZINC000489779376 245347110 /nfs/dbraw/zinc/34/71/10/245347110.db2.gz YZIFQZTYSOJKID-UHFFFAOYSA-N 1 0 317.433 3.084 10 30 DGEERO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000181394774 432125622 /nfs/dbraw/zinc/12/56/22/432125622.db2.gz SOQQLJKXIXYJRF-MRXNPFEDSA-N 1 0 320.440 3.268 10 30 DGEERO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(C#N)s1 ZINC000181474632 432130627 /nfs/dbraw/zinc/13/06/27/432130627.db2.gz XASPGSMEBYFLNI-GFCCVEGCSA-N 1 0 309.398 3.051 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000159955710 197376122 /nfs/dbraw/zinc/37/61/22/197376122.db2.gz GRGMSKGHIOFFDA-UHFFFAOYSA-N 1 0 321.424 3.119 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2cccc3cnccc32)cc1 ZINC000181533527 432133219 /nfs/dbraw/zinc/13/32/19/432133219.db2.gz YRWZWKIXZTYQRH-UHFFFAOYSA-N 1 0 303.365 3.275 10 30 DGEERO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(C#N)s1)C2 ZINC000181680273 432141840 /nfs/dbraw/zinc/14/18/40/432141840.db2.gz CFFSFIKMDCQTAG-YPMHNXCESA-N 1 0 314.410 3.283 10 30 DGEERO CC(C)N(CCC#N)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955397 183321406 /nfs/dbraw/zinc/32/14/06/183321406.db2.gz BNYZRTUPLUTLCW-IUODEOHRSA-N 1 0 324.266 3.461 10 30 DGEERO CC(C)N(CCC#N)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955394 183321901 /nfs/dbraw/zinc/32/19/01/183321901.db2.gz ZKWIPHWILUWQQV-CQSZACIVSA-N 1 0 310.239 3.073 10 30 DGEERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(CCC#N)C1CC1 ZINC000043021824 183329928 /nfs/dbraw/zinc/32/99/28/183329928.db2.gz GWXZRFJLHHARJB-IAQYHMDHSA-N 1 0 322.250 3.215 10 30 DGEERO CCN(C[C@H](C)C#N)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021669 183330010 /nfs/dbraw/zinc/33/00/10/183330010.db2.gz HICNIVDUJGWNIK-LALPHHSUSA-N 1 0 324.266 3.319 10 30 DGEERO N#Cc1ccccc1O[C@H](C[NH3+])c1ccccc1Br ZINC000043094522 183336940 /nfs/dbraw/zinc/33/69/40/183336940.db2.gz GHGQKSHEHDXXMH-OAHLLOKOSA-N 1 0 317.186 3.400 10 30 DGEERO N#Cc1ccc(O[C@H](C[NH3+])c2ccccc2Br)cc1 ZINC000043094371 183336971 /nfs/dbraw/zinc/33/69/71/183336971.db2.gz NIZNOAREWJWVIV-OAHLLOKOSA-N 1 0 317.186 3.400 10 30 DGEERO CCN(C[C@@H](C)C#N)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061697407 184183754 /nfs/dbraw/zinc/18/37/54/184183754.db2.gz RSRYDDWNHJISRI-WDEREUQCSA-N 1 0 310.239 3.455 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)[C@@H](C)CC#N ZINC000063085506 184269730 /nfs/dbraw/zinc/26/97/30/184269730.db2.gz BPBIXIBNQVBSPC-GLQYFDAESA-N 1 0 324.266 3.461 10 30 DGEERO C[C@@]1(CNc2cc(C#N)ccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000343026287 254088433 /nfs/dbraw/zinc/08/84/33/254088433.db2.gz NCJNSHHFCOVBOP-IBGZPJMESA-N 1 0 306.413 3.420 10 30 DGEERO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000183211342 533342591 /nfs/dbraw/zinc/34/25/91/533342591.db2.gz JROXLLBBNAQBLW-DOMZBBRYSA-N 1 0 313.319 3.094 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000595078098 400100795 /nfs/dbraw/zinc/10/07/95/400100795.db2.gz TYHGMJOHSPDQAP-DOTOQJQBSA-N 1 0 318.417 3.488 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1 ZINC000581392785 400079495 /nfs/dbraw/zinc/07/94/95/400079495.db2.gz PDALVJPULLBHPL-QGZVFWFLSA-N 1 0 313.372 3.484 10 30 DGEERO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C(F)F ZINC000595036716 400084895 /nfs/dbraw/zinc/08/48/95/400084895.db2.gz KTMVXFMLZSZDIV-GFCCVEGCSA-N 1 0 322.403 3.191 10 30 DGEERO Cc1cc(C#N)nc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)n1 ZINC000587983878 400176581 /nfs/dbraw/zinc/17/65/81/400176581.db2.gz CIKGCBSVBALFEO-GOSISDBHSA-N 1 0 321.428 3.296 10 30 DGEERO N#Cc1ccc(NC(=O)Nc2ccc3c(c2)CC[C@H]([NH3+])C3)cc1 ZINC000324065880 400178435 /nfs/dbraw/zinc/17/84/35/400178435.db2.gz CMBLLPXRHVRZFG-HNNXBMFYSA-N 1 0 306.369 3.018 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000091506475 400125705 /nfs/dbraw/zinc/12/57/05/400125705.db2.gz SKTSBFGNXVKKJT-INIZCTEOSA-N 1 0 316.445 3.198 10 30 DGEERO N#Cc1ncccc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000310258774 400133796 /nfs/dbraw/zinc/13/37/96/400133796.db2.gz PYWJMASMGWODBF-KZNAEPCWSA-N 1 0 318.424 3.276 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000091832684 400139385 /nfs/dbraw/zinc/13/93/85/400139385.db2.gz PSXOBCTUVMPXKL-INIZCTEOSA-N 1 0 313.401 3.322 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000091832683 400139518 /nfs/dbraw/zinc/13/95/18/400139518.db2.gz PSXOBCTUVMPXKL-MRXNPFEDSA-N 1 0 313.401 3.322 10 30 DGEERO C=CCCC1(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CCCC1 ZINC000617417333 400385662 /nfs/dbraw/zinc/38/56/62/400385662.db2.gz VAQAEHOGYGSDAV-OAHLLOKOSA-N 1 0 310.507 3.067 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000579528368 400339981 /nfs/dbraw/zinc/33/99/81/400339981.db2.gz MAEPYVRMCLIKAO-UHFFFAOYSA-N 1 0 311.381 3.328 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579688153 400342022 /nfs/dbraw/zinc/34/20/22/400342022.db2.gz BVZMTLCOBGGMFB-IBGZPJMESA-N 1 0 313.445 3.413 10 30 DGEERO C=C(C)COCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000581072225 400350159 /nfs/dbraw/zinc/35/01/59/400350159.db2.gz VWLWVFGYBIHZNE-IBGZPJMESA-N 1 0 314.473 3.366 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616249 400429094 /nfs/dbraw/zinc/42/90/94/400429094.db2.gz BVBAYGBKBJJQMQ-UHFFFAOYSA-N 1 0 304.394 3.059 10 30 DGEERO C=C(C)[C@H](NC)c1ncc(Br)cc1Br ZINC000133305793 400569550 /nfs/dbraw/zinc/56/95/50/400569550.db2.gz ADIOECHATCHLFA-VIFPVBQESA-N 1 0 320.028 3.443 10 30 DGEERO C=CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131331 400611357 /nfs/dbraw/zinc/61/13/57/400611357.db2.gz YCGVUHALFXCFML-WKILWMFISA-N 1 0 304.390 3.276 10 30 DGEERO C=CCCCN(C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000076951613 400681679 /nfs/dbraw/zinc/68/16/79/400681679.db2.gz LUBMLGPNWHGNEK-CALCHBBNSA-N 1 0 309.498 3.352 10 30 DGEERO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000619200297 400799498 /nfs/dbraw/zinc/79/94/98/400799498.db2.gz QJJKNDYVKLKRGF-ZBFHGGJFSA-N 1 0 312.392 3.247 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000181110507 400887822 /nfs/dbraw/zinc/88/78/22/400887822.db2.gz PAMVFPMWSUEIJJ-IAGOWNOFSA-N 1 0 307.482 3.391 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000181110484 400888154 /nfs/dbraw/zinc/88/81/54/400888154.db2.gz PAMVFPMWSUEIJJ-DLBZAZTESA-N 1 0 307.482 3.391 10 30 DGEERO CO[C@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000619425251 400844863 /nfs/dbraw/zinc/84/48/63/400844863.db2.gz GNXKOEZUBKMZNQ-SJORKVTESA-N 1 0 304.459 3.339 10 30 DGEERO C=CCCCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000605887949 400887220 /nfs/dbraw/zinc/88/72/20/400887220.db2.gz XXUIKUPBBKEIRF-MRXNPFEDSA-N 1 0 309.498 3.495 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000633411272 400939449 /nfs/dbraw/zinc/93/94/49/400939449.db2.gz MMIRDYYOCPXQBZ-QGZVFWFLSA-N 1 0 321.509 3.352 10 30 DGEERO C=CCOc1ccccc1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000593875520 400917847 /nfs/dbraw/zinc/91/78/47/400917847.db2.gz MWFWLBZTZWAOPR-HZPDHXFCSA-N 1 0 316.445 3.244 10 30 DGEERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594424893 401061693 /nfs/dbraw/zinc/06/16/93/401061693.db2.gz DLKMBYOPOCCVTC-CRAIPNDOSA-N 1 0 313.445 3.225 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2cc(C(=O)OC)oc2C)cc1 ZINC000594607697 401130611 /nfs/dbraw/zinc/13/06/11/401130611.db2.gz YFEUCHDUZRFQAV-UHFFFAOYSA-N 1 0 315.369 3.229 10 30 DGEERO C=C(C)[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC)c1ccc(F)c(F)c1 ZINC000594947566 401202871 /nfs/dbraw/zinc/20/28/71/401202871.db2.gz VISOWKULHNQLHD-LESCFKLSSA-N 1 0 309.356 3.369 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC000600186603 401213941 /nfs/dbraw/zinc/21/39/41/401213941.db2.gz RXURJNIYKHAJTN-CABCVRRESA-N 1 0 303.402 3.025 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000625702407 401185473 /nfs/dbraw/zinc/18/54/73/401185473.db2.gz FIAIFFCDXRSRKL-OAHLLOKOSA-N 1 0 302.418 3.312 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000630456729 401271763 /nfs/dbraw/zinc/27/17/63/401271763.db2.gz RQXOODUZAPFPGU-HNNXBMFYSA-N 1 0 302.418 3.279 10 30 DGEERO C=CC[NH+]1CCC(Nc2nccc(OCc3ccccc3)n2)CC1 ZINC000089598957 401228987 /nfs/dbraw/zinc/22/89/87/401228987.db2.gz YDQOIJOFVQPLRE-UHFFFAOYSA-N 1 0 324.428 3.118 10 30 DGEERO C=CC(C)(C)CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000625896928 401245223 /nfs/dbraw/zinc/24/52/23/401245223.db2.gz HQMMGQSFXVJYRV-UHFFFAOYSA-N 1 0 305.397 3.195 10 30 DGEERO C=CCC1(NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CCCC1 ZINC000625939250 401261337 /nfs/dbraw/zinc/26/13/37/401261337.db2.gz QJAZCIYTSNVRDD-UHFFFAOYSA-N 1 0 315.417 3.179 10 30 DGEERO C=C1CC(C)(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000630857518 401342705 /nfs/dbraw/zinc/34/27/05/401342705.db2.gz UFPHXGYBOKOAPN-UHFFFAOYSA-N 1 0 318.486 3.433 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000630864924 401344304 /nfs/dbraw/zinc/34/43/04/401344304.db2.gz HDXKNEPNHPZJEO-KRWDZBQOSA-N 1 0 304.478 3.313 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC[C@H](O)C(F)F)cc1Cl ZINC000631216363 401428896 /nfs/dbraw/zinc/42/88/96/401428896.db2.gz ISJGWGWMKARNAR-LBPRGKRZSA-N 1 0 305.752 3.011 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000627071692 401439330 /nfs/dbraw/zinc/43/93/30/401439330.db2.gz SXKLJAXHCDAVNQ-QAPCUYQASA-N 1 0 315.461 3.417 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000631294467 401446914 /nfs/dbraw/zinc/44/69/14/401446914.db2.gz LRPIFCZWVWWRFT-IRXDYDNUSA-N 1 0 304.478 3.456 10 30 DGEERO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000631559969 401497378 /nfs/dbraw/zinc/49/73/78/401497378.db2.gz NNXFWWLCMDCBAT-GOSISDBHSA-N 1 0 312.457 3.323 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@H](C)CO)cc1OC ZINC000623427508 401515333 /nfs/dbraw/zinc/51/53/33/401515333.db2.gz BMHIMXDSBIZMBM-NEPJUHHUSA-N 1 0 313.825 3.020 10 30 DGEERO C=CC(C)(C)CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000623466930 401524862 /nfs/dbraw/zinc/52/48/62/401524862.db2.gz QWVNHQQYZNDFEP-INIZCTEOSA-N 1 0 309.498 3.400 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000623597070 401552694 /nfs/dbraw/zinc/55/26/94/401552694.db2.gz VUTQUODANHDPTL-DLBZAZTESA-N 1 0 315.461 3.115 10 30 DGEERO C=CC(C)(C)CCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000623619137 401556982 /nfs/dbraw/zinc/55/69/82/401556982.db2.gz UEWQQOBFSQWERB-UHFFFAOYSA-N 1 0 321.440 3.289 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C/C=C\C)C2)CC1 ZINC000623635098 401559533 /nfs/dbraw/zinc/55/95/33/401559533.db2.gz URWAHHVGBKDNSM-IMMZDGJCSA-N 1 0 305.466 3.025 10 30 DGEERO C=CCC[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)C1CC1 ZINC000624102568 401626144 /nfs/dbraw/zinc/62/61/44/401626144.db2.gz BBTRTALWXWEMID-HNNXBMFYSA-N 1 0 317.420 3.278 10 30 DGEERO C=CCOc1cccc(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000632905923 401637234 /nfs/dbraw/zinc/63/72/34/401637234.db2.gz AILCEXMYDRMSGV-OAHLLOKOSA-N 1 0 317.433 3.151 10 30 DGEERO C=CCCC(C)(C)CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000632958654 401642530 /nfs/dbraw/zinc/64/25/30/401642530.db2.gz ZXZUNKJFIOKFGZ-UHFFFAOYSA-N 1 0 317.433 3.283 10 30 DGEERO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000632335224 401601720 /nfs/dbraw/zinc/60/17/20/401601720.db2.gz YNTYRGGDODAWCT-FUHWJXTLSA-N 1 0 312.457 3.370 10 30 DGEERO C=CCCC(C)(C)CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000633200163 401659810 /nfs/dbraw/zinc/65/98/10/401659810.db2.gz ARNAHLSPJBMEHP-UHFFFAOYSA-N 1 0 307.482 3.295 10 30 DGEERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000188952984 165142617 /nfs/dbraw/zinc/14/26/17/165142617.db2.gz SZQLICZPNBHBNE-KRWDZBQOSA-N 1 0 318.380 3.128 10 30 DGEERO CC[N@H+](CCNc1cccc(Br)c1C#N)C1CC1 ZINC000218000313 165378236 /nfs/dbraw/zinc/37/82/36/165378236.db2.gz CRTFRADXKHDBHR-UHFFFAOYSA-N 1 0 308.223 3.217 10 30 DGEERO C=CCOCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000385453975 685173389 /nfs/dbraw/zinc/17/33/89/685173389.db2.gz BDBUKCYEGBOSQF-CYBMUJFWSA-N 1 0 312.207 3.065 10 30 DGEERO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1c1ccco1 ZINC000246904681 432180512 /nfs/dbraw/zinc/18/05/12/432180512.db2.gz HCQZPQDVYFPYPV-BBRMVZONSA-N 1 0 309.369 3.315 10 30 DGEERO CC(C)(C#N)CCC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246862777 432174250 /nfs/dbraw/zinc/17/42/50/432174250.db2.gz WCCNFMKLFYMQBZ-CJNGLKHVSA-N 1 0 308.372 3.402 10 30 DGEERO CCCn1cc(C[NH2+]CCSCc2ccccc2C#N)cn1 ZINC000172043562 432193186 /nfs/dbraw/zinc/19/31/86/432193186.db2.gz GCLJKOUWQCXEGX-UHFFFAOYSA-N 1 0 314.458 3.188 10 30 DGEERO [NH2+]=C(NCc1ccnc(OC2CCCC2)c1)NC1CCCCC1 ZINC000104164136 226898352 /nfs/dbraw/zinc/89/83/52/226898352.db2.gz HIZYZPNSROIGFE-UHFFFAOYSA-N 1 0 316.449 3.140 10 30 DGEERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCC(C)(C)C#N)C2)n1 ZINC000174839200 228293961 /nfs/dbraw/zinc/29/39/61/228293961.db2.gz YGSDVQLUKHWZPL-INIZCTEOSA-N 1 0 300.450 3.454 10 30 DGEERO [NH2+]=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)NC1CCCCC1 ZINC000262844388 228646855 /nfs/dbraw/zinc/64/68/55/228646855.db2.gz VHNFCCKJBDCWCV-KGLIPLIRSA-N 1 0 323.387 3.381 10 30 DGEERO O=C(C[C@H]1CCCCNC1=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000329297028 228937265 /nfs/dbraw/zinc/93/72/65/228937265.db2.gz TWIVWLOWLKXAHH-CQSZACIVSA-N 1 0 321.465 3.497 10 30 DGEERO Cc1cc(C)nc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000330044574 228973026 /nfs/dbraw/zinc/97/30/26/228973026.db2.gz FVVAAXDEEJZJDM-HNNXBMFYSA-N 1 0 304.438 3.289 10 30 DGEERO Cc1ccc([C@H](CNc2ccc(C)c(C#N)n2)[NH+]2CCCC2)o1 ZINC000302627003 230323859 /nfs/dbraw/zinc/32/38/59/230323859.db2.gz IIALJPYCFCZVCT-INIZCTEOSA-N 1 0 310.401 3.412 10 30 DGEERO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358561666 270003939 /nfs/dbraw/zinc/00/39/39/270003939.db2.gz SNAQWSKFMOJSIK-NJSLBKSFSA-N 1 0 312.388 3.340 10 30 DGEERO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000361592973 266112474 /nfs/dbraw/zinc/11/24/74/266112474.db2.gz XBMSWEMLDZNETG-UHFFFAOYSA-N 1 0 316.405 3.025 10 30 DGEERO C[C@H]([NH2+]CCOc1ncccc1Cl)c1ccc(C#N)cc1F ZINC000358595801 267183476 /nfs/dbraw/zinc/18/34/76/267183476.db2.gz UZGFSPNQVNKIJS-NSHDSACASA-N 1 0 319.767 3.475 10 30 DGEERO C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N(C)Cc1ccc[nH]1 ZINC000262756671 275408861 /nfs/dbraw/zinc/40/88/61/275408861.db2.gz DPXNPCWVHJKPJI-UHFFFAOYSA-N 1 0 319.478 3.110 10 30 DGEERO C[N@@H+]1CCC[C@H]2CN(CC#Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000247946695 277083446 /nfs/dbraw/zinc/08/34/46/277083446.db2.gz DOZCOVNERIDOFM-FUHWJXTLSA-N 1 0 302.849 3.108 10 30 DGEERO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+](CCCC#N)C1CC1 ZINC000190935720 277187094 /nfs/dbraw/zinc/18/70/94/277187094.db2.gz HPMBMEOKFUNLNQ-HNNXBMFYSA-N 1 0 307.438 3.154 10 30 DGEERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(F)cc1C#N ZINC000187477699 277573940 /nfs/dbraw/zinc/57/39/40/277573940.db2.gz XRTFGWBTKCECAM-ZDUSSCGKSA-N 1 0 318.396 3.083 10 30 DGEERO C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1 ZINC000329666624 278252893 /nfs/dbraw/zinc/25/28/93/278252893.db2.gz KZYPUVDDJSVGGQ-ZHGJIWRESA-N 1 0 306.450 3.069 10 30 DGEERO C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000172603361 279458883 /nfs/dbraw/zinc/45/88/83/279458883.db2.gz HCVYNCKUUVLITQ-ZDUSSCGKSA-N 1 0 305.447 3.084 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000073716816 431377296 /nfs/dbraw/zinc/37/72/96/431377296.db2.gz OKETVKVKPWZPJE-OLZOCXBDSA-N 1 0 310.388 3.429 10 30 DGEERO [NH2+]=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1 ZINC000076105743 431527181 /nfs/dbraw/zinc/52/71/81/431527181.db2.gz BJNKATPKAWNSDX-UHFFFAOYSA-N 1 0 324.359 3.450 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076736609 431562015 /nfs/dbraw/zinc/56/20/15/431562015.db2.gz WKAPNWOGIAZZIX-GFCCVEGCSA-N 1 0 317.458 3.333 10 30 DGEERO C=CC[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000116936140 431538566 /nfs/dbraw/zinc/53/85/66/431538566.db2.gz RJDIGTCKGJTNOR-INIZCTEOSA-N 1 0 315.461 3.436 10 30 DGEERO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@]4(CC[NH2+]C4)C3)c2c1 ZINC000333468035 280411629 /nfs/dbraw/zinc/41/16/29/280411629.db2.gz CZKARMIVKVMRAA-FQEVSTJZSA-N 1 0 320.440 3.303 10 30 DGEERO COc1cccc([C@H]2CN(CCCC(C)(C)C#N)CCO2)c1 ZINC000119095713 431643827 /nfs/dbraw/zinc/64/38/27/431643827.db2.gz FTSWJZCTQXLVJO-QGZVFWFLSA-N 1 0 302.418 3.398 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2C(=O)N(CC)CC)c1 ZINC000120178862 431725292 /nfs/dbraw/zinc/72/52/92/431725292.db2.gz JBXJBGCZTPUTLH-GOSISDBHSA-N 1 0 316.445 3.084 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000121134549 431746813 /nfs/dbraw/zinc/74/68/13/431746813.db2.gz HKBDAQWHFUTGGA-DGTBMVLOSA-N 1 0 304.478 3.358 10 30 DGEERO Cc1cccc[n+]1CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000029233115 431717016 /nfs/dbraw/zinc/71/70/16/431717016.db2.gz MEMGVBMJJCDVJR-OAHLLOKOSA-N 1 0 313.446 3.200 10 30 DGEERO C=CCOc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000122070065 431810206 /nfs/dbraw/zinc/81/02/06/431810206.db2.gz YRZOYVRMICDCSF-UHFFFAOYSA-N 1 0 311.429 3.360 10 30 DGEERO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000122786220 431844091 /nfs/dbraw/zinc/84/40/91/431844091.db2.gz CSEMBJLATBYBPC-LJQANCHMSA-N 1 0 323.440 3.386 10 30 DGEERO C=CC[N@H+](CCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000092505654 431909683 /nfs/dbraw/zinc/90/96/83/431909683.db2.gz AKQAWYFSSDGKRR-UHFFFAOYSA-N 1 0 316.408 3.437 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810783 431912332 /nfs/dbraw/zinc/91/23/32/431912332.db2.gz KZIRXUXGLDSMDR-AWEZNQCLSA-N 1 0 310.401 3.080 10 30 DGEERO CC(C)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(F)c1 ZINC000123822047 431874899 /nfs/dbraw/zinc/87/48/99/431874899.db2.gz RDEMURVSDNVFCZ-UHFFFAOYSA-N 1 0 322.387 3.412 10 30 DGEERO C=CCC(CC=C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000125652738 431932863 /nfs/dbraw/zinc/93/28/63/431932863.db2.gz JQMCKDWYYHUXSE-GOSISDBHSA-N 1 0 300.446 3.044 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(C)cc2)cc1 ZINC000052041930 431954541 /nfs/dbraw/zinc/95/45/41/431954541.db2.gz UBBVBVOETZLTMF-UHFFFAOYSA-N 1 0 324.424 3.079 10 30 DGEERO Cc1ccc[n+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000184552932 281185118 /nfs/dbraw/zinc/18/51/18/281185118.db2.gz SNFMWVWWXMPUSE-OAHLLOKOSA-N 1 0 321.322 3.279 10 30 DGEERO CN(CC#Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192049864 432326874 /nfs/dbraw/zinc/32/68/74/432326874.db2.gz LPIYTVOCTJTYRU-QFIPXVFZSA-N 1 0 318.464 3.492 10 30 DGEERO OCCC[N@H+](CC#Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000192059072 432328643 /nfs/dbraw/zinc/32/86/43/432328643.db2.gz MHFPWCHXPRSPSX-NRFANRHFSA-N 1 0 305.421 3.410 10 30 DGEERO Cc1nnc(NCc2ccc(C[NH+]3CCCC3)cc2)c(C#N)c1C ZINC000192723737 432405462 /nfs/dbraw/zinc/40/54/62/432405462.db2.gz RQOXLVFQMUFENQ-UHFFFAOYSA-N 1 0 321.428 3.173 10 30 DGEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000193113218 432449904 /nfs/dbraw/zinc/44/99/04/432449904.db2.gz CTBPHKPHTSBESP-QMTHXVAHSA-N 1 0 313.854 3.107 10 30 DGEERO C=CCOCCCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175198693 432410646 /nfs/dbraw/zinc/41/06/46/432410646.db2.gz GGHDAAXBNMAILU-UHFFFAOYSA-N 1 0 302.418 3.204 10 30 DGEERO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000262305206 432481779 /nfs/dbraw/zinc/48/17/79/432481779.db2.gz AETOXYJJWZCKMV-HTQZYQBOSA-N 1 0 316.268 3.069 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000175999947 432485138 /nfs/dbraw/zinc/48/51/38/432485138.db2.gz HBHQBDANVRQMFO-UHFFFAOYSA-N 1 0 318.380 3.117 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1cc(C)nn1-c1cc(C)nc(C)n1 ZINC000185989292 432551732 /nfs/dbraw/zinc/55/17/32/432551732.db2.gz CNDSWAXYZCUSCE-LLVKDONJSA-N 1 0 313.405 3.128 10 30 DGEERO CCO[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000194470313 432553354 /nfs/dbraw/zinc/55/33/54/432553354.db2.gz RQDVUURNWYPFBL-SFHVURJKSA-N 1 0 320.396 3.073 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000185838114 432538147 /nfs/dbraw/zinc/53/81/47/432538147.db2.gz ANBCEPVDQXVDGK-LZLYRXPVSA-N 1 0 300.446 3.368 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000185919559 432545951 /nfs/dbraw/zinc/54/59/51/432545951.db2.gz KJZYOVIFJVRCGK-HOTGVXAUSA-N 1 0 315.461 3.326 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-n2cncn2)cc1 ZINC000176942417 432567096 /nfs/dbraw/zinc/56/70/96/432567096.db2.gz TUKZEIDNKKXZTR-LBPRGKRZSA-N 1 0 309.398 3.051 10 30 DGEERO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000186318000 432581213 /nfs/dbraw/zinc/58/12/13/432581213.db2.gz ITHVTQDDWGJDKQ-HNNXBMFYSA-N 1 0 317.396 3.298 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000186695911 432622435 /nfs/dbraw/zinc/62/24/35/432622435.db2.gz WSAKFGNVNPOSBG-KOLCDFICSA-N 1 0 302.187 3.176 10 30 DGEERO C=CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000188225117 432712801 /nfs/dbraw/zinc/71/28/01/432712801.db2.gz UYPRYXQTSFBOIN-JQHSSLGASA-N 1 0 300.446 3.287 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000265609713 432714666 /nfs/dbraw/zinc/71/46/66/432714666.db2.gz ZPXWFINGLWFTJH-HNNXBMFYSA-N 1 0 307.438 3.270 10 30 DGEERO C[NH+](C)Cc1cc(CNc2snc(Cl)c2C#N)ccc1F ZINC000265221348 432678021 /nfs/dbraw/zinc/67/80/21/432678021.db2.gz OSFWVZQHKPCBDM-UHFFFAOYSA-N 1 0 324.812 3.481 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000178637661 432761409 /nfs/dbraw/zinc/76/14/09/432761409.db2.gz IACOYVQMPCAIAK-UHFFFAOYSA-N 1 0 313.445 3.203 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000161756907 432796556 /nfs/dbraw/zinc/79/65/56/432796556.db2.gz YTGSZOSAHXOQHN-UHFFFAOYSA-N 1 0 313.445 3.109 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000245735973 432859855 /nfs/dbraw/zinc/85/98/55/432859855.db2.gz KSXOVUMSJICXDJ-KSSFIOAISA-N 1 0 310.401 3.428 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)ccc1OC ZINC000277633433 432865837 /nfs/dbraw/zinc/86/58/37/432865837.db2.gz CHVZWNHEPZQSJJ-HOCLYGCPSA-N 1 0 305.418 3.165 10 30 DGEERO C#CCC(CC#C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000277414648 432848527 /nfs/dbraw/zinc/84/85/27/432848527.db2.gz LZAJEWFPMDUTHJ-UHFFFAOYSA-N 1 0 308.425 3.274 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000330211655 432897223 /nfs/dbraw/zinc/89/72/23/432897223.db2.gz DDGKPDUSLJKLJF-DZXKGLTKSA-N 1 0 308.466 3.313 10 30 DGEERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000330246218 432899733 /nfs/dbraw/zinc/89/97/33/432899733.db2.gz YCGCJZLBJAPAEZ-XZJROXQQSA-N 1 0 306.381 3.268 10 30 DGEERO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000330270451 432901270 /nfs/dbraw/zinc/90/12/70/432901270.db2.gz UFDSZQRUQRCKNG-CZAMWMTLSA-N 1 0 320.408 3.389 10 30 DGEERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1OC(F)F ZINC000185770889 533692437 /nfs/dbraw/zinc/69/24/37/533692437.db2.gz GTBLUGKTYYKDHR-DGCLKSJQSA-N 1 0 310.344 3.469 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279331521 432956624 /nfs/dbraw/zinc/95/66/24/432956624.db2.gz CYEDFGGMXBGIMI-UHFFFAOYSA-N 1 0 309.417 3.257 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000425358733 433194996 /nfs/dbraw/zinc/19/49/96/433194996.db2.gz UOGBYBHYYGNVSG-LEAZDLGRSA-N 1 0 314.473 3.078 10 30 DGEERO C=C(C)C[NH+]1CCC(NCc2ccnn2-c2ccccc2)CC1 ZINC000447928640 433322571 /nfs/dbraw/zinc/32/25/71/433322571.db2.gz FFUQXXYMUMLIDO-UHFFFAOYSA-N 1 0 310.445 3.002 10 30 DGEERO N#Cc1cccnc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000374759796 433272813 /nfs/dbraw/zinc/27/28/13/433272813.db2.gz KLEWNYZFKJJGSW-MOPGFXCFSA-N 1 0 318.424 3.197 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281307111 433280829 /nfs/dbraw/zinc/28/08/29/433280829.db2.gz RORCVPJCRKZIFS-SFHVURJKSA-N 1 0 318.436 3.452 10 30 DGEERO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC34CCC4)C2=O)cc1 ZINC000447877676 433308919 /nfs/dbraw/zinc/30/89/19/433308919.db2.gz IGSNJSLOLRWKTC-KRWDZBQOSA-N 1 0 309.413 3.072 10 30 DGEERO C=CCCC[NH2+][C@H](CN1CCOCC1)c1ccc(CC)cc1 ZINC000448026332 433351143 /nfs/dbraw/zinc/35/11/43/433351143.db2.gz HUYWIFAKMBRVPD-LJQANCHMSA-N 1 0 302.462 3.178 10 30 DGEERO C=CCCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000448033691 433354918 /nfs/dbraw/zinc/35/49/18/433354918.db2.gz YZOLBQMCDXGKTQ-SJORKVTESA-N 1 0 308.853 3.268 10 30 DGEERO C=CCCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000448033689 433355140 /nfs/dbraw/zinc/35/51/40/433355140.db2.gz YZOLBQMCDXGKTQ-IAGOWNOFSA-N 1 0 308.853 3.268 10 30 DGEERO C=CCCCNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000447998311 433343808 /nfs/dbraw/zinc/34/38/08/433343808.db2.gz FROINCKKIRUCPK-LJQANCHMSA-N 1 0 315.461 3.307 10 30 DGEERO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000376116515 433670832 /nfs/dbraw/zinc/67/08/32/433670832.db2.gz PRNZDUOVBHXFQP-OLZOCXBDSA-N 1 0 323.868 3.463 10 30 DGEERO C[C@H]1CCC[N@@H+]1C1CCN(c2snc(Cl)c2C#N)CC1 ZINC000301781667 433721594 /nfs/dbraw/zinc/72/15/94/433721594.db2.gz NGXQVFXRSLSVCZ-JTQLQIEISA-N 1 0 310.854 3.121 10 30 DGEERO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449700996 433761678 /nfs/dbraw/zinc/76/16/78/433761678.db2.gz VFFBQEWVMXRVSB-INIZCTEOSA-N 1 0 305.418 3.059 10 30 DGEERO C=C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000362632184 433800867 /nfs/dbraw/zinc/80/08/67/433800867.db2.gz YYQSEJVCCWYOHT-MIGBEJBISA-N 1 0 313.445 3.056 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)c2cc(C)cc3c(C)ccnc23)CC1 ZINC000284001123 433814428 /nfs/dbraw/zinc/81/44/28/433814428.db2.gz NQKHAKQPLFWJBS-UHFFFAOYSA-N 1 0 323.440 3.232 10 30 DGEERO C=C(CNC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000376962789 433842119 /nfs/dbraw/zinc/84/21/19/433842119.db2.gz IIQNEVFNTXZIEQ-UHFFFAOYSA-N 1 0 313.445 3.016 10 30 DGEERO C=C(C)CC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000352423415 434042819 /nfs/dbraw/zinc/04/28/19/434042819.db2.gz XNEZKINDLIANLD-HOCLYGCPSA-N 1 0 310.800 3.307 10 30 DGEERO C#CCCOc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000378341493 434145773 /nfs/dbraw/zinc/14/57/73/434145773.db2.gz KXWIBQAZUCPJIN-UHFFFAOYSA-N 1 0 309.413 3.191 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCc2ncccc2C)cc1OC ZINC000295114248 434207865 /nfs/dbraw/zinc/20/78/65/434207865.db2.gz WMEFZODQPHYQPI-UHFFFAOYSA-N 1 0 312.413 3.296 10 30 DGEERO Cc1cc(C#N)cc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)n1 ZINC000324161457 434271166 /nfs/dbraw/zinc/27/11/66/434271166.db2.gz PPLUWBORZUWABO-INIZCTEOSA-N 1 0 320.440 3.220 10 30 DGEERO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328855682 434322315 /nfs/dbraw/zinc/32/23/15/434322315.db2.gz XRSDMYDYKPRLJA-HUUCEWRRSA-N 1 0 309.454 3.497 10 30 DGEERO C=C(C)[C@H](NCc1nccnc1OC)c1ccc(F)c(F)c1 ZINC000295361389 434329820 /nfs/dbraw/zinc/32/98/20/434329820.db2.gz JEXJWUCGMASPPN-HNNXBMFYSA-N 1 0 305.328 3.170 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(C#N)cc1F ZINC000358561269 434394296 /nfs/dbraw/zinc/39/42/96/434394296.db2.gz GERSXSBXKFNPNS-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358580491 434398776 /nfs/dbraw/zinc/39/87/76/434398776.db2.gz XYFUVJMDMOUBSX-LRDDRELGSA-N 1 0 316.351 3.091 10 30 DGEERO C[C@@H](NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571700 434399618 /nfs/dbraw/zinc/39/96/18/434399618.db2.gz PITFLNSDIJAIRP-RBSFLKMASA-N 1 0 303.425 3.468 10 30 DGEERO C[C@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358594773 434400423 /nfs/dbraw/zinc/40/04/23/434400423.db2.gz UDUVMJORIXSOAO-GJZGRUSLSA-N 1 0 303.425 3.468 10 30 DGEERO C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358949500 434408425 /nfs/dbraw/zinc/40/84/25/434408425.db2.gz HGLAVISDFJGZOZ-HOCLYGCPSA-N 1 0 317.481 3.041 10 30 DGEERO C=CC[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000366855464 434524931 /nfs/dbraw/zinc/52/49/31/434524931.db2.gz GATNZCIIQCGNCO-ACBHZAAOSA-N 1 0 312.457 3.479 10 30 DGEERO C=CC[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000366855465 434525132 /nfs/dbraw/zinc/52/51/32/434525132.db2.gz GATNZCIIQCGNCO-CTWPCTMYSA-N 1 0 312.457 3.479 10 30 DGEERO C#Cc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000367323068 434546143 /nfs/dbraw/zinc/54/61/43/434546143.db2.gz YUILQZLEJNOCHZ-UHFFFAOYSA-N 1 0 316.408 3.090 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cc1Br ZINC000424175724 434647089 /nfs/dbraw/zinc/64/70/89/434647089.db2.gz QPJPTKIUMOUFHU-ZFWWWQNUSA-N 1 0 310.235 3.438 10 30 DGEERO C=C(C)COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)ccc1OC ZINC000459752562 434698984 /nfs/dbraw/zinc/69/89/84/434698984.db2.gz LCXQRCVZQPILPK-GJZGRUSLSA-N 1 0 305.443 3.340 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418503327 434667080 /nfs/dbraw/zinc/66/70/80/434667080.db2.gz XPMSLCBEARLXBL-SFHVURJKSA-N 1 0 311.429 3.447 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000424289677 434679883 /nfs/dbraw/zinc/67/98/83/434679883.db2.gz AAWQOGHSEXCFHP-UZJLFSMRSA-N 1 0 301.430 3.368 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000424297507 434684106 /nfs/dbraw/zinc/68/41/06/434684106.db2.gz QTHUHNQELMZKFM-XHSDSOJGSA-N 1 0 303.402 3.090 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000424300484 434684826 /nfs/dbraw/zinc/68/48/26/434684826.db2.gz XXAVRLDCJQQBPP-DKIMLUQUSA-N 1 0 301.430 3.413 10 30 DGEERO C=CCCO[C@H](C)C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000371566937 434732153 /nfs/dbraw/zinc/73/21/53/434732153.db2.gz XZNQOCNXFMRGGN-CYBMUJFWSA-N 1 0 300.402 3.084 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372465361 434829754 /nfs/dbraw/zinc/82/97/54/434829754.db2.gz PYKYSDUMMDWUSB-KGLIPLIRSA-N 1 0 303.450 3.499 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000573229024 434883482 /nfs/dbraw/zinc/88/34/82/434883482.db2.gz OHAIVVOGIDOAFS-OTWHNJEPSA-N 1 0 300.446 3.214 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000554597313 434938899 /nfs/dbraw/zinc/93/88/99/434938899.db2.gz NDNBWMCPIIKCRQ-LBPRGKRZSA-N 1 0 312.866 3.258 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000523010748 434938928 /nfs/dbraw/zinc/93/89/28/434938928.db2.gz SKSLMVWZJOGQBB-UHFFFAOYSA-N 1 0 314.473 3.366 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463029385 434941141 /nfs/dbraw/zinc/94/11/41/434941141.db2.gz OJBVZJSLIMFKPK-OAQYLSRUSA-N 1 0 323.436 3.387 10 30 DGEERO C=CCCC[N@@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000524248147 434974366 /nfs/dbraw/zinc/97/43/66/434974366.db2.gz MMFNXLJWYJHYFH-CQSZACIVSA-N 1 0 317.351 3.343 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000464057509 434974952 /nfs/dbraw/zinc/97/49/52/434974952.db2.gz NWKNJKAXGHREBF-JENIJYKNSA-N 1 0 306.494 3.212 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000527803087 435014893 /nfs/dbraw/zinc/01/48/93/435014893.db2.gz USVHWRKZYMVVKU-COJSNBRMSA-N 1 0 305.418 3.162 10 30 DGEERO C=CCC1(NC(=O)CCN(C)c2cc[nH+]cc2)CCCCC1 ZINC000556676297 435018792 /nfs/dbraw/zinc/01/87/92/435018792.db2.gz IFKGCKMDDVGGSM-UHFFFAOYSA-N 1 0 301.434 3.303 10 30 DGEERO C=CCOCC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000559154808 435122817 /nfs/dbraw/zinc/12/28/17/435122817.db2.gz GGMATLSKQCTPKY-XHSDSOJGSA-N 1 0 309.450 3.164 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000567403712 435314338 /nfs/dbraw/zinc/31/43/38/435314338.db2.gz RAKVROYLOYOFEU-CVEARBPZSA-N 1 0 304.438 3.222 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000567403715 435314599 /nfs/dbraw/zinc/31/45/99/435314599.db2.gz RAKVROYLOYOFEU-JKSUJKDBSA-N 1 0 304.438 3.222 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NC/C=C\c2ccccc2)CC1 ZINC000540888246 435622434 /nfs/dbraw/zinc/62/24/34/435622434.db2.gz AEBMCBMDXSPWPC-TWGQIWQCSA-N 1 0 313.445 3.040 10 30 DGEERO N#Cc1ccc(OCC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000174560207 312763918 /nfs/dbraw/zinc/76/39/18/312763918.db2.gz IZQBUUFGKPVGHB-HWKANZROSA-N 1 0 323.352 3.148 10 30 DGEERO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CC=CCC1 ZINC000542249495 314064652 /nfs/dbraw/zinc/06/46/52/314064652.db2.gz SAGCATBHLIBLDQ-CYBMUJFWSA-N 1 0 303.431 3.236 10 30 DGEERO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CC=CCC1 ZINC000544110202 314174102 /nfs/dbraw/zinc/17/41/02/314174102.db2.gz BTXJNTCJAWKNCQ-ZDUSSCGKSA-N 1 0 317.820 3.438 10 30 DGEERO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000180772513 323238335 /nfs/dbraw/zinc/23/83/35/323238335.db2.gz MYKGUTFRRSWPMB-UHFFFAOYSA-N 1 0 317.433 3.012 10 30 DGEERO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1nccs1 ZINC000185066280 323380813 /nfs/dbraw/zinc/38/08/13/323380813.db2.gz QIGKCEKNGUIFMA-ZDUSSCGKSA-N 1 0 317.414 3.143 10 30 DGEERO C=CCCCCCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000518393487 332024680 /nfs/dbraw/zinc/02/46/80/332024680.db2.gz FCXJWCGRWUIOAN-UHFFFAOYSA-N 1 0 309.498 3.496 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC(N)=O)cc1Cl ZINC000092588325 332134799 /nfs/dbraw/zinc/13/47/99/332134799.db2.gz ZWMXSSGACLXEEU-CQSZACIVSA-N 1 0 322.836 3.135 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)cc1 ZINC000499252331 340033348 /nfs/dbraw/zinc/03/33/48/340033348.db2.gz FZNHNMUDVJZNJB-IEBWSBKVSA-N 1 0 317.429 3.463 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000505010151 340158590 /nfs/dbraw/zinc/15/85/90/340158590.db2.gz CBIGKMLDGHERGW-UHFFFAOYSA-N 1 0 301.434 3.365 10 30 DGEERO C=C(C)CC[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528719236 340730405 /nfs/dbraw/zinc/73/04/05/340730405.db2.gz QZRPLZSOUJQWQO-UHFFFAOYSA-N 1 0 319.449 3.184 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000538364782 340819381 /nfs/dbraw/zinc/81/93/81/340819381.db2.gz JOHSYAOUTCMDSK-SJLPKXTDSA-N 1 0 317.477 3.203 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000545272422 341118434 /nfs/dbraw/zinc/11/84/34/341118434.db2.gz HAILSMWVONNSQQ-WMLDXEAASA-N 1 0 304.434 3.054 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000545960197 341148465 /nfs/dbraw/zinc/14/84/65/341148465.db2.gz GNXWOUNCGMFDLG-CYBMUJFWSA-N 1 0 308.834 3.490 10 30 DGEERO C=C(C)C[NH+]1CCC(NCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000136078682 341252457 /nfs/dbraw/zinc/25/24/57/341252457.db2.gz PHJJGSVJKOAVBZ-UHFFFAOYSA-N 1 0 310.445 3.207 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)CC1 ZINC000566323678 341553979 /nfs/dbraw/zinc/55/39/79/341553979.db2.gz YSHZNZUEWJQNFL-MMIPBJDJSA-N 1 0 319.493 3.151 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(OCC#N)cc1 ZINC000182111610 533918934 /nfs/dbraw/zinc/91/89/34/533918934.db2.gz YCLOTHKCQZUCLO-LBPRGKRZSA-N 1 0 301.777 3.488 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CCc3cc4ccccc4o3)n2c1 ZINC000152574877 518196605 /nfs/dbraw/zinc/19/66/05/518196605.db2.gz KBOWUQNPRHLPQL-UHFFFAOYSA-N 1 0 316.364 3.284 10 30 DGEERO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](COC)CC2)c1C ZINC000452097787 534433512 /nfs/dbraw/zinc/43/35/12/534433512.db2.gz ZUXYUHYGICUKOD-QGZVFWFLSA-N 1 0 318.461 3.222 10 30 DGEERO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000318446089 534786090 /nfs/dbraw/zinc/78/60/90/534786090.db2.gz OWZQPKJOGIRRQU-KBAYOESNSA-N 1 0 302.393 3.213 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000449460888 534882755 /nfs/dbraw/zinc/88/27/55/534882755.db2.gz ODWZHPKGELNLBJ-GUDVDZBRSA-N 1 0 301.430 3.377 10 30 DGEERO C=CC[N@@H+](CCC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000432927758 526272555 /nfs/dbraw/zinc/27/25/55/526272555.db2.gz NZROHPSVZKTIDY-UHFFFAOYSA-N 1 0 304.390 3.400 10 30 DGEERO C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000337178212 526483667 /nfs/dbraw/zinc/48/36/67/526483667.db2.gz KKKYMBPEKIEEQR-DNVCBOLYSA-N 1 0 321.424 3.186 10 30 DGEERO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000337179037 526484788 /nfs/dbraw/zinc/48/47/88/526484788.db2.gz KYCKHHUPINTGGT-IINYFYTJSA-N 1 0 313.228 3.431 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433021308 526526320 /nfs/dbraw/zinc/52/63/20/526526320.db2.gz QLPAENNQUMQFOW-GOSISDBHSA-N 1 0 313.445 3.436 10 30 DGEERO C=C(C)COc1cc(C[N@H+](C)C[C@@H]2CCCO2)ccc1OC ZINC000128124890 526659104 /nfs/dbraw/zinc/65/91/04/526659104.db2.gz ISXJWJPWQZPLPC-INIZCTEOSA-N 1 0 305.418 3.261 10 30 DGEERO C=C(C)COc1cc(C[NH2+]CC[C@H]2CCOC2)ccc1OC ZINC000344300167 526660950 /nfs/dbraw/zinc/66/09/50/526660950.db2.gz RGGSLBINXCGUBE-HNNXBMFYSA-N 1 0 305.418 3.166 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@](C)(CO)C(C)C)ccc1OC ZINC000353212404 526662297 /nfs/dbraw/zinc/66/22/97/526662297.db2.gz QRYZGEAQRQHCLA-GOSISDBHSA-N 1 0 307.434 3.147 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)ccc1OC ZINC000414562473 526663313 /nfs/dbraw/zinc/66/33/13/526663313.db2.gz CATOAYOVDFTIBB-IAGOWNOFSA-N 1 0 319.445 3.291 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2ccc(Br)o2)cc1 ZINC000178902787 526675679 /nfs/dbraw/zinc/67/56/79/526675679.db2.gz BVPVYQZFQVUBGL-UHFFFAOYSA-N 1 0 321.174 3.082 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000185468112 526699988 /nfs/dbraw/zinc/69/99/88/526699988.db2.gz XUBSSABJDIAQRC-MJGOQNOKSA-N 1 0 314.473 3.270 10 30 DGEERO C=C(C)[C@@H]([NH2+][C@@H](CC)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000340502640 526757855 /nfs/dbraw/zinc/75/78/55/526757855.db2.gz MCHIKOWNXFGVAB-XJKSGUPXSA-N 1 0 306.360 3.242 10 30 DGEERO C=CCOCCCc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000357044231 526766029 /nfs/dbraw/zinc/76/60/29/526766029.db2.gz GLUOBTAUXZAGMJ-UHFFFAOYSA-N 1 0 319.380 3.073 10 30 DGEERO C=CCOCCN(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000338956371 526769391 /nfs/dbraw/zinc/76/93/91/526769391.db2.gz XVVSLBRWRWSOTI-HKUYNNGSSA-N 1 0 302.462 3.346 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000435736571 526801451 /nfs/dbraw/zinc/80/14/51/526801451.db2.gz XZZIQJIAQVZFSA-HKUYNNGSSA-N 1 0 311.429 3.002 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000355152120 526869607 /nfs/dbraw/zinc/86/96/07/526869607.db2.gz SLUMQJVXUJQHFN-CEXWTWQISA-N 1 0 317.429 3.020 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000351932679 526870096 /nfs/dbraw/zinc/87/00/96/526870096.db2.gz WMWCFDBZRZLTGV-UHFFFAOYSA-N 1 0 319.470 3.349 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@]23CCCO3)cc1 ZINC000353891991 526889908 /nfs/dbraw/zinc/88/99/08/526889908.db2.gz YZTCSZVECVCURQ-CEXWTWQISA-N 1 0 317.429 3.068 10 30 DGEERO C=CCOc1ccccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348876196 526929065 /nfs/dbraw/zinc/92/90/65/526929065.db2.gz MEPHYBNERSPBSN-JWTNVVGKSA-N 1 0 300.446 3.308 10 30 DGEERO C=CCOc1ccccc1C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000354118134 526929252 /nfs/dbraw/zinc/92/92/52/526929252.db2.gz BZYYZFYQIJANMH-UHFFFAOYSA-N 1 0 305.418 3.415 10 30 DGEERO C=CCOc1ccccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000352840808 526931500 /nfs/dbraw/zinc/93/15/00/526931500.db2.gz XXFJJFGPZGQDSF-SFHVURJKSA-N 1 0 300.446 3.312 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CC[C@H](OC)C(F)(F)F ZINC000344803081 526948786 /nfs/dbraw/zinc/94/87/86/526948786.db2.gz AFDLTKLFQFXVCV-AWEZNQCLSA-N 1 0 303.324 3.308 10 30 DGEERO CC(C)(CCC#N)C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000180202006 526998055 /nfs/dbraw/zinc/99/80/55/526998055.db2.gz SNVZUFCYRBNBFX-UHFFFAOYSA-N 1 0 313.445 3.211 10 30 DGEERO C=CC[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000116936143 527026518 /nfs/dbraw/zinc/02/65/18/527026518.db2.gz RJDIGTCKGJTNOR-MRXNPFEDSA-N 1 0 315.461 3.436 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000365135937 527106497 /nfs/dbraw/zinc/10/64/97/527106497.db2.gz NBYIKIIBMXBGNR-SFHVURJKSA-N 1 0 323.440 3.123 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000365135935 527106822 /nfs/dbraw/zinc/10/68/22/527106822.db2.gz NBYIKIIBMXBGNR-GOSISDBHSA-N 1 0 323.440 3.123 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000346960590 527192241 /nfs/dbraw/zinc/19/22/41/527192241.db2.gz KJZONYMAJBGTBY-GOSISDBHSA-N 1 0 300.446 3.420 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1Br ZINC000184274879 527209684 /nfs/dbraw/zinc/20/96/84/527209684.db2.gz XIBOAZGPOJRTAW-LLVKDONJSA-N 1 0 304.615 3.129 10 30 DGEERO C=CCCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000448391539 527217248 /nfs/dbraw/zinc/21/72/48/527217248.db2.gz WJZZHEUHCVLFIQ-QGZVFWFLSA-N 1 0 307.482 3.250 10 30 DGEERO C=CCCCNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000447973997 527221769 /nfs/dbraw/zinc/22/17/69/527221769.db2.gz DHIIMBPLIVVEIY-UHFFFAOYSA-N 1 0 303.450 3.294 10 30 DGEERO C=CCC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000342740799 527318395 /nfs/dbraw/zinc/31/83/95/527318395.db2.gz XRUCJQKDZBYEEA-MRXNPFEDSA-N 1 0 300.446 3.322 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000424296654 527499108 /nfs/dbraw/zinc/49/91/08/527499108.db2.gz PBZJDUZLTRWXCA-FHWLQOOXSA-N 1 0 303.446 3.409 10 30 DGEERO CCOc1cccc(CC[NH2+]Cc2ccc(C#N)c(OC)c2)c1 ZINC000440622937 528641182 /nfs/dbraw/zinc/64/11/82/528641182.db2.gz UXMHVMHBODANDI-UHFFFAOYSA-N 1 0 310.397 3.298 10 30 DGEERO C=CCOc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000129353386 545941633 /nfs/dbraw/zinc/94/16/33/545941633.db2.gz ROZKPNQRZGHJGI-IEBWSBKVSA-N 1 0 301.430 3.378 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCCCC[C@@H]2CCO)cc(OC)c1O ZINC000342825463 546560513 /nfs/dbraw/zinc/56/05/13/546560513.db2.gz SAIWTSHYXMPECH-QGZVFWFLSA-N 1 0 319.445 3.256 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)cc1 ZINC000733327652 574616159 /nfs/dbraw/zinc/61/61/59/574616159.db2.gz ALSQZFDVJRDTDO-IAGOWNOFSA-N 1 0 300.446 3.051 10 30 DGEERO C#CCCOc1ccc(CNc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000733327444 574616251 /nfs/dbraw/zinc/61/62/51/574616251.db2.gz XVYQSJSRLCQEGS-UHFFFAOYSA-N 1 0 318.380 3.282 10 30 DGEERO CC(C)[N@@H+]1CCCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309027 574696358 /nfs/dbraw/zinc/69/63/58/574696358.db2.gz CPTHCMRNRAXPKK-UHFFFAOYSA-N 1 0 321.852 3.158 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154409011 620670373 /nfs/dbraw/zinc/67/03/73/620670373.db2.gz VTKOWQJMHAVWMS-HNNXBMFYSA-N 1 0 315.461 3.397 10 30 DGEERO C=CC1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000111257930 620689513 /nfs/dbraw/zinc/68/95/13/620689513.db2.gz AWLFFWJVZYJYTG-HNNXBMFYSA-N 1 0 310.235 3.381 10 30 DGEERO CCc1ccc(NC(=[NH2+])NCc2ccn(C3CCCC3)n2)cc1 ZINC000119583589 621698645 /nfs/dbraw/zinc/69/86/45/621698645.db2.gz VFJXEVSBORHTDG-UHFFFAOYSA-N 1 0 311.433 3.487 10 30 DGEERO Cc1cccc2[nH]c(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)nc21 ZINC000120462627 621882249 /nfs/dbraw/zinc/88/22/49/621882249.db2.gz FFDRWZRLBBPGFH-UHFFFAOYSA-N 1 0 319.412 3.287 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1nccc2ccccc21 ZINC000121687364 622174234 /nfs/dbraw/zinc/17/42/34/622174234.db2.gz ZKXWMUHOMXEECL-HNNXBMFYSA-N 1 0 310.397 3.125 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCCCCCC1 ZINC000131013339 625931691 /nfs/dbraw/zinc/93/16/91/625931691.db2.gz MDCSDFNPJGDRMP-UHFFFAOYSA-N 1 0 309.417 3.349 10 30 DGEERO CN(c1ccc(C#N)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000214364416 625945477 /nfs/dbraw/zinc/94/54/77/625945477.db2.gz AKYBIEVGLDKOQR-FUNVUKJBSA-N 1 0 320.234 3.040 10 30 DGEERO CCc1cccc(NC(=[NH2+])NCc2cc(F)ccc2OC)c1 ZINC000186865942 660578300 /nfs/dbraw/zinc/57/83/00/660578300.db2.gz XPCKGZCMMORWJZ-UHFFFAOYSA-N 1 0 301.365 3.324 10 30 DGEERO C#C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(C)C ZINC000707914863 660915342 /nfs/dbraw/zinc/91/53/42/660915342.db2.gz CRZWHIORRPIERQ-XUWVNRHRSA-N 1 0 306.450 3.022 10 30 DGEERO C=C[C@@](C)(CCOC)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187602044 655553621 /nfs/dbraw/zinc/55/36/21/655553621.db2.gz HRNYCDDIPPUNMZ-HKUYNNGSSA-N 1 0 317.429 3.033 10 30 DGEERO C[NH+]=C(NCC(F)F)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261657603 655661099 /nfs/dbraw/zinc/66/10/99/655661099.db2.gz AHOFOBCQAHTIAN-ZDUSSCGKSA-N 1 0 323.387 3.253 10 30 DGEERO CCOc1cccc(/C=N\C[C@H]2CCC[N@@H+]2CC(C)C)c1O ZINC000255357713 655705420 /nfs/dbraw/zinc/70/54/20/655705420.db2.gz KKLVTWLJKXPJFZ-VXIUPONVSA-N 1 0 304.434 3.330 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000176833587 655851480 /nfs/dbraw/zinc/85/14/80/655851480.db2.gz CQIXUMYYQRBWSM-CYBMUJFWSA-N 1 0 309.417 3.203 10 30 DGEERO CC[NH+]=C(NCC1(C)CC1)NC1CCC(C(F)(F)F)CC1 ZINC000262397707 655854183 /nfs/dbraw/zinc/85/41/83/655854183.db2.gz NEQXXWVWMKSEQF-UHFFFAOYSA-N 1 0 305.388 3.463 10 30 DGEERO CC[NH+]=C(NCCc1c(C)noc1C)NC1CCC(C)(C)CC1 ZINC000262762042 655861894 /nfs/dbraw/zinc/86/18/94/655861894.db2.gz GGGYEPAOOUSFPB-UHFFFAOYSA-N 1 0 320.481 3.358 10 30 DGEERO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000715132643 661209763 /nfs/dbraw/zinc/20/97/63/661209763.db2.gz BEXXOIBPFLRLSW-OKILXGFUSA-N 1 0 309.454 3.209 10 30 DGEERO COc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1C#N ZINC000716166793 661219293 /nfs/dbraw/zinc/21/92/93/661219293.db2.gz WADYRZAYVOKAJJ-UHFFFAOYSA-N 1 0 322.408 3.404 10 30 DGEERO [NH2+]=C(NCc1cn2cc(Cl)ccc2n1)NC1CCCCCC1 ZINC000092277097 656094810 /nfs/dbraw/zinc/09/48/10/656094810.db2.gz RYDGCXAIMKFHAW-UHFFFAOYSA-N 1 0 319.840 3.115 10 30 DGEERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000299984115 656230928 /nfs/dbraw/zinc/23/09/28/656230928.db2.gz GODSWTNKNSVMMI-FXUDXRNXSA-N 1 0 321.465 3.446 10 30 DGEERO C[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261930942 657207842 /nfs/dbraw/zinc/20/78/42/657207842.db2.gz BIDZIZLUPAUEIW-KCQAQPDRSA-N 1 0 301.434 3.110 10 30 DGEERO C[NH+]=C(NC[C@H](C)SC)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261966529 657266263 /nfs/dbraw/zinc/26/62/63/657266263.db2.gz LPCWHIAYAMFHKC-JSGCOSHPSA-N 1 0 321.490 3.205 10 30 DGEERO CN(c1ccc(C(F)(F)F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262013928 657290581 /nfs/dbraw/zinc/29/05/81/657290581.db2.gz WSDJXJKJLUAFPP-PBWFPOADSA-N 1 0 309.335 3.296 10 30 DGEERO C#CCNC(N[C@@H]1CC2(CCCC2)Oc2ccccc21)=[NH+]CC ZINC000262021675 657291193 /nfs/dbraw/zinc/29/11/93/657291193.db2.gz YYISBDJKSCZYAN-MRXNPFEDSA-N 1 0 311.429 3.011 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1 ZINC000077454878 657359921 /nfs/dbraw/zinc/35/99/21/657359921.db2.gz MPMKMIWIAKKDOT-KRWDZBQOSA-N 1 0 319.351 3.353 10 30 DGEERO COc1ccc([C@@H](C)CCNC(=[NH2+])NC2CCCCC2)cc1 ZINC000304584947 657638738 /nfs/dbraw/zinc/63/87/38/657638738.db2.gz SIRAINGFHMKKIJ-AWEZNQCLSA-N 1 0 303.450 3.426 10 30 DGEERO Cc1nc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)no1 ZINC000304747617 657645900 /nfs/dbraw/zinc/64/59/00/657645900.db2.gz GONZLYMCNUQCCK-UHFFFAOYSA-N 1 0 323.356 3.097 10 30 DGEERO C[C@@H](CNC(=[NH2+])NCCc1cccs1)Cc1cccs1 ZINC000304787071 657651678 /nfs/dbraw/zinc/65/16/78/657651678.db2.gz ITXJNIKHCOYUIM-GFCCVEGCSA-N 1 0 307.488 3.135 10 30 DGEERO C[NH+]=C(NCc1cc(Cl)ccc1OC(F)F)NC1CCC1 ZINC000262799595 658038906 /nfs/dbraw/zinc/03/89/06/658038906.db2.gz QQAMPMRETBUMQA-UHFFFAOYSA-N 1 0 317.767 3.159 10 30 DGEERO CC(C)[C@@H]1C[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)CCO1 ZINC000263064806 658114784 /nfs/dbraw/zinc/11/47/84/658114784.db2.gz FYXQDDGXBJNEIC-ABAIWWIYSA-N 1 0 311.376 3.143 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CSc2ccccc21 ZINC000263111132 658141104 /nfs/dbraw/zinc/14/11/04/658141104.db2.gz LBLZUKYKLRMZQH-LBPRGKRZSA-N 1 0 317.483 3.084 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)cc1 ZINC000169147870 658404843 /nfs/dbraw/zinc/40/48/43/658404843.db2.gz YUCYHLFDLMMMPF-DNVCBOLYSA-N 1 0 307.393 3.353 10 30 DGEERO CCCCCCCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000059426791 659143925 /nfs/dbraw/zinc/14/39/25/659143925.db2.gz KHMNEKFAYRZKLR-CQSZACIVSA-N 1 0 312.479 3.345 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180087138 659952322 /nfs/dbraw/zinc/95/23/22/659952322.db2.gz MQMFTTXGKLAJQJ-MRXNPFEDSA-N 1 0 324.424 3.132 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cccc2ncccc21 ZINC000181192148 659985630 /nfs/dbraw/zinc/98/56/30/659985630.db2.gz UCJNBSDZUABYPQ-HNNXBMFYSA-N 1 0 310.397 3.125 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1 ZINC000077454881 662027238 /nfs/dbraw/zinc/02/72/38/662027238.db2.gz MPMKMIWIAKKDOT-QGZVFWFLSA-N 1 0 319.351 3.353 10 30 DGEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)C(C)(C)C ZINC000718727646 662260562 /nfs/dbraw/zinc/26/05/62/662260562.db2.gz JDOZVIFEIFVFFX-LSDHHAIUSA-N 1 0 301.496 3.314 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)C(C)(C)C ZINC000718727643 662260615 /nfs/dbraw/zinc/26/06/15/662260615.db2.gz JDOZVIFEIFVFFX-HUUCEWRRSA-N 1 0 301.496 3.314 10 30 DGEERO C#CCOc1ccc(CN2CCO[C@H](c3cccs3)C2)cc1 ZINC000092594301 662332793 /nfs/dbraw/zinc/33/27/93/662332793.db2.gz XTYCWQIWTVHCCL-KRWDZBQOSA-N 1 0 313.422 3.334 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc(OCCC)c(OC)c2)CC1 ZINC000236807551 1176489555 /nfs/dbraw/zinc/48/95/55/1176489555.db2.gz WUCQRACZHPBXRI-UHFFFAOYSA-N 1 0 318.461 3.224 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNCc1cn2ccccc2n1)C(C)C ZINC000150950675 1177612076 /nfs/dbraw/zinc/61/20/76/1177612076.db2.gz KPSDUYCOWLJGPD-SFHVURJKSA-N 1 0 312.461 3.123 10 30 DGEERO C#CC[N@H+](C)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000328030615 1177704716 /nfs/dbraw/zinc/70/47/16/1177704716.db2.gz VDYXXFSCZQGCIT-UHFFFAOYSA-N 1 0 316.188 3.269 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000076869594 1196526803 /nfs/dbraw/zinc/52/68/03/1196526803.db2.gz CJTRHYIEQIQRKE-UHFFFAOYSA-N 1 0 320.392 3.383 10 30 DGEERO C=CC[C@@H](C)[NH2+]Cc1ccccc1I ZINC000379654000 1197703955 /nfs/dbraw/zinc/70/39/55/1197703955.db2.gz IKKQPTCLBJSBML-SNVBAGLBSA-N 1 0 301.171 3.345 10 30 DGEERO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)c(OC)c1 ZINC000093492348 1198698479 /nfs/dbraw/zinc/69/84/79/1198698479.db2.gz FKRGLEAHYSRGTM-LLVKDONJSA-N 1 0 302.399 3.488 10 30 DGEERO C[C@H](CNc1cc(Br)ccc1C#N)[N@H+](C)C1CC1 ZINC000218026605 1202543253 /nfs/dbraw/zinc/54/32/53/1202543253.db2.gz YSKQYOSGXMHSQI-SNVBAGLBSA-N 1 0 308.223 3.215 10 30 DGEERO C=CCN(CC=C)[C@H](C[NH2+]Cc1cnc2ccccn12)C(C)C ZINC000150948821 1202590937 /nfs/dbraw/zinc/59/09/37/1202590937.db2.gz FHVRZILBQMIMBS-GOSISDBHSA-N 1 0 312.461 3.123 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H](O)c2ccsc2)cc1OC ZINC000152517395 1202594548 /nfs/dbraw/zinc/59/45/48/1202594548.db2.gz ATDDZCVOLCUCRT-HNNXBMFYSA-N 1 0 319.426 3.145 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc(OC)c1O ZINC000157145556 1202601974 /nfs/dbraw/zinc/60/19/74/1202601974.db2.gz YUAATPPPKOBFFC-SJORKVTESA-N 1 0 317.429 3.177 10 30 DGEERO CC#CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000400928081 1093925846 /nfs/dbraw/zinc/92/58/46/1093925846.db2.gz NAYGNZRCOUIQFQ-BZUAXINKSA-N 1 0 306.450 3.025 10 30 DGEERO C=CCc1cc(C[NH2+]Cc2ccccc2OC)cc(OC)c1O ZINC000076274915 1099836665 /nfs/dbraw/zinc/83/66/65/1099836665.db2.gz YSOPKEHLJQXWOM-UHFFFAOYSA-N 1 0 313.397 3.428 10 30 DGEERO C=CCOCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000379727266 546735904 /nfs/dbraw/zinc/73/59/04/546735904.db2.gz XLWMKKMXSBZVGC-SNVBAGLBSA-N 1 0 302.187 3.441 10 30 DGEERO CCc1cc[n+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000182241258 529574070 /nfs/dbraw/zinc/57/40/70/529574070.db2.gz DTMGDAMSBFQKTO-MRXNPFEDSA-N 1 0 319.787 3.307 10 30 DGEERO CCc1cnc(CNC(NC2CCC(C)(C)CC2)=[NH+]C)s1 ZINC000130645953 529645312 /nfs/dbraw/zinc/64/53/12/529645312.db2.gz CREXXDARMFGWLP-UHFFFAOYSA-N 1 0 308.495 3.339 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2cc(C)nc(-c3cccnc3)n2)CC1 ZINC000106066273 432020101 /nfs/dbraw/zinc/02/01/01/432020101.db2.gz WTQCDACWZSUZLL-UHFFFAOYSA-N 1 0 323.444 3.299 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2cc(C)nc(-c3ccncc3)n2)CC1 ZINC000106066232 432020199 /nfs/dbraw/zinc/02/01/99/432020199.db2.gz RUCMUFCLEBSNIA-UHFFFAOYSA-N 1 0 323.444 3.299 10 30 DGEERO C=CCCO[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000066913291 432023653 /nfs/dbraw/zinc/02/36/53/432023653.db2.gz LBQCAERPZONVHI-HNNXBMFYSA-N 1 0 302.418 3.202 10 30 DGEERO C=CCC[C@H](C[NH+]1CCSCC1)Oc1cc(CC)nc(C)n1 ZINC000072475998 191178019 /nfs/dbraw/zinc/17/80/19/191178019.db2.gz IYMSDOFXBAGMQM-MRXNPFEDSA-N 1 0 321.490 3.110 10 30 DGEERO N#Cc1csc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000176268703 198566416 /nfs/dbraw/zinc/56/64/16/198566416.db2.gz SUHRZFJFVJXVPL-UHFFFAOYSA-N 1 0 311.410 3.468 10 30 DGEERO CC1(C)Cc2c(C#N)c(NC(=O)C3CC3)sc2C(C)(C)[NH2+]1 ZINC000004281262 181092188 /nfs/dbraw/zinc/09/21/88/181092188.db2.gz MNXPSPZJDWHCDI-UHFFFAOYSA-N 1 0 303.431 3.128 10 30 DGEERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)cn1 ZINC000131862147 432041377 /nfs/dbraw/zinc/04/13/77/432041377.db2.gz NVTXNMGUEZSVJK-IBGZPJMESA-N 1 0 324.428 3.440 10 30 DGEERO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)o1 ZINC000179744669 199075483 /nfs/dbraw/zinc/07/54/83/199075483.db2.gz PDJXMUWDLRDIPD-UHFFFAOYSA-N 1 0 309.369 3.002 10 30 DGEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000246115840 432096166 /nfs/dbraw/zinc/09/61/66/432096166.db2.gz CSZAMPNLSKHZHA-PBHICJAKSA-N 1 0 322.374 3.225 10 30 DGEERO N#CC1CCC(C[NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000441336287 239035353 /nfs/dbraw/zinc/03/53/53/239035353.db2.gz HHBCRHOMGOFDTO-UHFFFAOYSA-N 1 0 302.809 3.407 10 30 DGEERO C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000172170867 299342537 /nfs/dbraw/zinc/34/25/37/299342537.db2.gz JUHLQUJXSOAQFI-HOTGVXAUSA-N 1 0 313.445 3.490 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180882200 432103749 /nfs/dbraw/zinc/10/37/49/432103749.db2.gz AUMOUFDVQMYKIF-PBHICJAKSA-N 1 0 321.428 3.425 10 30 DGEERO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000449284396 240107221 /nfs/dbraw/zinc/10/72/21/240107221.db2.gz OSASJWFCCXMOQC-DOTOQJQBSA-N 1 0 304.482 3.422 10 30 DGEERO C=CCOc1ccccc1CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000449346562 240146614 /nfs/dbraw/zinc/14/66/14/240146614.db2.gz NTAWXRCMVDMSOD-MRXNPFEDSA-N 1 0 300.446 3.168 10 30 DGEERO C=CCC[C@H](CO)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000449699455 240376193 /nfs/dbraw/zinc/37/61/93/240376193.db2.gz QVVZUBBUHGCLFI-ZIAGYGMSSA-N 1 0 324.262 3.223 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451426977 241120192 /nfs/dbraw/zinc/12/01/92/241120192.db2.gz ZIEZMWMEJPLXIC-SJLPKXTDSA-N 1 0 317.477 3.361 10 30 DGEERO N#CCCOCC[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451954761 241282918 /nfs/dbraw/zinc/28/29/18/241282918.db2.gz ACMYYTSPCYHDPO-UHFFFAOYSA-N 1 0 308.372 3.150 10 30 DGEERO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000246283063 432114264 /nfs/dbraw/zinc/11/42/64/432114264.db2.gz BQYNZMOVHRWYDF-WMLDXEAASA-N 1 0 317.433 3.102 10 30 DGEERO C=CC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000458982518 243218772 /nfs/dbraw/zinc/21/87/72/243218772.db2.gz AZNHHFLRCMJBMH-QGZVFWFLSA-N 1 0 315.461 3.115 10 30 DGEERO N#Cc1cccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000094368350 193366444 /nfs/dbraw/zinc/36/64/44/193366444.db2.gz WFRXOEBBIREARP-MRXNPFEDSA-N 1 0 302.443 3.093 10 30 DGEERO CCc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000121494273 284198485 /nfs/dbraw/zinc/19/84/85/284198485.db2.gz FCXPKEKKPJMTHY-BEFAXECRSA-N 1 0 324.424 3.211 10 30 DGEERO COc1ccc2oc(C[NH2+]CCOc3ccc(C#N)cc3)cc2c1 ZINC000126024967 284291171 /nfs/dbraw/zinc/29/11/71/284291171.db2.gz QRIHXSHFKHWHIC-UHFFFAOYSA-N 1 0 322.364 3.482 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265481597 204643838 /nfs/dbraw/zinc/64/38/38/204643838.db2.gz DDNGZEDNTHIYBK-UHFFFAOYSA-N 1 0 310.785 3.096 10 30 DGEERO CC1=C2C(=O)C[C@@H](c3ccccc3O)CC2=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000017066465 182073993 /nfs/dbraw/zinc/07/39/93/182073993.db2.gz YKZNHYZHWXQTTH-CWRNSKLLSA-N 1 0 324.424 3.468 10 30 DGEERO C=C(C)CN1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493876286 246091794 /nfs/dbraw/zinc/09/17/94/246091794.db2.gz UUXMZBZILCODBB-UHFFFAOYSA-N 1 0 314.473 3.364 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)C[C@@H](C)C#N ZINC000042955215 183321594 /nfs/dbraw/zinc/32/15/94/183321594.db2.gz YJDFZIJQSWKLHR-CQDKDKBSSA-N 1 0 324.266 3.319 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC)CCC#N ZINC000043021687 183329377 /nfs/dbraw/zinc/32/93/77/183329377.db2.gz CPTFSEPXLQOFCT-HUUCEWRRSA-N 1 0 324.266 3.463 10 30 DGEERO CCN(CCC#N)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093256 183336145 /nfs/dbraw/zinc/33/61/45/183336145.db2.gz PWWPMMPOZVSGAI-BXUZGUMPSA-N 1 0 310.239 3.073 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CCC#N ZINC000043091002 183336211 /nfs/dbraw/zinc/33/62/11/183336211.db2.gz OMOKQOFDMSCXKL-UONOGXRCSA-N 1 0 310.239 3.073 10 30 DGEERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCCSCC#N)C2)c1 ZINC000177415787 533084428 /nfs/dbraw/zinc/08/44/28/533084428.db2.gz IZNUULWRFCXCGH-CQSZACIVSA-N 1 0 320.458 3.140 10 30 DGEERO COc1cc2c(c(C[NH2+]CC3CCC(C#N)CC3)c1)O[C@H](C)C2 ZINC000441372588 533149095 /nfs/dbraw/zinc/14/90/95/533149095.db2.gz XKKKVCDLMKEOFK-WLYUNCDWSA-N 1 0 314.429 3.438 10 30 DGEERO COc1ccc([C@H](C)C[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000182200005 533156441 /nfs/dbraw/zinc/15/64/41/533156441.db2.gz HSZCNFLIPSZGNJ-OAHLLOKOSA-N 1 0 310.397 3.491 10 30 DGEERO C=CCCCN(C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000154662890 196983769 /nfs/dbraw/zinc/98/37/69/196983769.db2.gz VPJBYPXSOUKTBC-UHFFFAOYSA-N 1 0 319.449 3.365 10 30 DGEERO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1cccc(C#N)c1 ZINC000616610164 400185240 /nfs/dbraw/zinc/18/52/40/400185240.db2.gz OOJYRBZMNDTKIP-INIZCTEOSA-N 1 0 315.417 3.220 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000091623582 400128561 /nfs/dbraw/zinc/12/85/61/400128561.db2.gz UZFLUZKXDHIGMA-AWEZNQCLSA-N 1 0 312.408 3.141 10 30 DGEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000617042510 400291525 /nfs/dbraw/zinc/29/15/25/400291525.db2.gz SFWCCXUTAYOMCP-YOEHRIQHSA-N 1 0 301.434 3.008 10 30 DGEERO C=C(C)COCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000581072228 400350354 /nfs/dbraw/zinc/35/03/54/400350354.db2.gz VWLWVFGYBIHZNE-LJQANCHMSA-N 1 0 314.473 3.366 10 30 DGEERO C=CC[C@@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000617782112 400453436 /nfs/dbraw/zinc/45/34/36/400453436.db2.gz YUTHVZRKSNRYOF-QGZVFWFLSA-N 1 0 312.457 3.250 10 30 DGEERO C=CCCC[C@@H](C)[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602580836 400504043 /nfs/dbraw/zinc/50/40/43/400504043.db2.gz IGHDTCUNYIQNPQ-CYBMUJFWSA-N 1 0 307.438 3.210 10 30 DGEERO C=C(C)C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)OC ZINC000602734402 400557087 /nfs/dbraw/zinc/55/70/87/400557087.db2.gz NUACJNUEJJTVEX-NXHRZFHOSA-N 1 0 322.493 3.127 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603000922 400623873 /nfs/dbraw/zinc/62/38/73/400623873.db2.gz UHMYRFQGLUTPKQ-ZDUSSCGKSA-N 1 0 306.406 3.385 10 30 DGEERO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522763 400663901 /nfs/dbraw/zinc/66/39/01/400663901.db2.gz RNJRBHLHRIAFBO-OVHOFWQVSA-N 1 0 324.346 3.459 10 30 DGEERO C[NH+](C)CCCCNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000603286571 400664859 /nfs/dbraw/zinc/66/48/59/400664859.db2.gz FWMUQFSPPMVLFE-UHFFFAOYSA-N 1 0 320.436 3.158 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000076733829 400669362 /nfs/dbraw/zinc/66/93/62/400669362.db2.gz MSHJPSRVVZCFSE-OAHLLOKOSA-N 1 0 317.433 3.238 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCCC[C@H]2CO)ccc1OC ZINC000152340308 400679247 /nfs/dbraw/zinc/67/92/47/400679247.db2.gz HDDGDIXUFWZVLQ-IRXDYDNUSA-N 1 0 319.445 3.291 10 30 DGEERO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000618967224 400730684 /nfs/dbraw/zinc/73/06/84/400730684.db2.gz VCRSGGDZNGWADP-INIZCTEOSA-N 1 0 304.353 3.318 10 30 DGEERO C#CC[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000168686938 400757607 /nfs/dbraw/zinc/75/76/07/400757607.db2.gz QNNKCKPYZDNSMC-JTQLQIEISA-N 1 0 302.997 3.235 10 30 DGEERO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC(=O)OC)c2)C1 ZINC000593598385 400879350 /nfs/dbraw/zinc/87/93/50/400879350.db2.gz QDROUCTUWGRMLI-HOCLYGCPSA-N 1 0 303.402 3.073 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593620190 400882268 /nfs/dbraw/zinc/88/22/68/400882268.db2.gz FVUPBTPWGQNWTI-NEPJUHHUSA-N 1 0 300.362 3.306 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000605738748 400884672 /nfs/dbraw/zinc/88/46/72/400884672.db2.gz DTAOHSIDQITILB-LJQANCHMSA-N 1 0 300.446 3.460 10 30 DGEERO CO[C@@H]1CCC[C@@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000619425249 400844740 /nfs/dbraw/zinc/84/47/40/400844740.db2.gz GNXKOEZUBKMZNQ-IAGOWNOFSA-N 1 0 304.459 3.339 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000605875933 400886714 /nfs/dbraw/zinc/88/67/14/400886714.db2.gz DJNZECSKBLDOHY-FUHWJXTLSA-N 1 0 315.461 3.430 10 30 DGEERO C=CC[C@@H](CO)[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000184273081 400903233 /nfs/dbraw/zinc/90/32/33/400903233.db2.gz BCVZLBRFBOBENI-ZDUSSCGKSA-N 1 0 314.212 3.296 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237894061 400994512 /nfs/dbraw/zinc/99/45/12/400994512.db2.gz FKLRQADECQAFRU-CYBMUJFWSA-N 1 0 300.324 3.044 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000620305823 401051761 /nfs/dbraw/zinc/05/17/61/401051761.db2.gz SANCKJGWIJGFEG-KDURUIRLSA-N 1 0 310.441 3.144 10 30 DGEERO C=CC[N@@H+](CCc1ccccc1)Cc1cccc(C(=O)OCC)n1 ZINC000600115209 401183184 /nfs/dbraw/zinc/18/31/84/401183184.db2.gz OQDYUNKHLVFFPI-UHFFFAOYSA-N 1 0 324.424 3.489 10 30 DGEERO C=CC[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000625702362 401185904 /nfs/dbraw/zinc/18/59/04/401185904.db2.gz DRISUABNLKOZJJ-GFCCVEGCSA-N 1 0 309.369 3.480 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000625702242 401186546 /nfs/dbraw/zinc/18/65/46/401186546.db2.gz FXEPEODZHTWYIZ-CQSZACIVSA-N 1 0 306.837 3.244 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000625702989 401187567 /nfs/dbraw/zinc/18/75/67/401187567.db2.gz PIJWBIPPCKJEPJ-INIZCTEOSA-N 1 0 307.459 3.057 10 30 DGEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595011052 401230814 /nfs/dbraw/zinc/23/08/14/401230814.db2.gz GSBLVSGHRRGXMD-UONOGXRCSA-N 1 0 317.389 3.258 10 30 DGEERO C=CCCC(C)(C)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625939039 401261352 /nfs/dbraw/zinc/26/13/52/401261352.db2.gz IRYVMXNIOVHNPA-UHFFFAOYSA-N 1 0 303.406 3.035 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635120354 401413211 /nfs/dbraw/zinc/41/32/11/401413211.db2.gz WZFFCJZSOCQDGN-LBPRGKRZSA-N 1 0 312.866 3.258 10 30 DGEERO C=CCC[C@H](NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC000627003336 401431909 /nfs/dbraw/zinc/43/19/09/401431909.db2.gz MYUWZHGECQGUEZ-UAGQMJEPSA-N 1 0 301.434 3.134 10 30 DGEERO C=CC(C)(C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000627113652 401446113 /nfs/dbraw/zinc/44/61/13/401446113.db2.gz GHFZZZDGGZMZKI-IAGOWNOFSA-N 1 0 315.461 3.034 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000623390576 401506426 /nfs/dbraw/zinc/50/64/26/401506426.db2.gz UIHRGJXCUGRUEY-INIZCTEOSA-N 1 0 307.482 3.249 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCc2ccccc2Cn2ccnc2)C1 ZINC000623400772 401508591 /nfs/dbraw/zinc/50/85/91/401508591.db2.gz FICNSBDCEFOMSC-MRXNPFEDSA-N 1 0 324.428 3.039 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000623465377 401523980 /nfs/dbraw/zinc/52/39/80/401523980.db2.gz OMXDQYSUUDVYIZ-QGZVFWFLSA-N 1 0 307.482 3.106 10 30 DGEERO C=CC[C@@H](CO)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623483802 401528946 /nfs/dbraw/zinc/52/89/46/401528946.db2.gz SLWDJNQWHCECIW-LLVKDONJSA-N 1 0 321.314 3.041 10 30 DGEERO C=CC(C)(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000623814153 401582742 /nfs/dbraw/zinc/58/27/42/401582742.db2.gz BMHQRPKAWYFTHV-SJORKVTESA-N 1 0 315.461 3.333 10 30 DGEERO C=CCOc1cccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1 ZINC000623601414 401554263 /nfs/dbraw/zinc/55/42/63/401554263.db2.gz CJVYURVSELTWIC-FQEVSTJZSA-N 1 0 309.409 3.483 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000623630255 401558800 /nfs/dbraw/zinc/55/88/00/401558800.db2.gz ABLZFPIGMUMTBM-WMLDXEAASA-N 1 0 319.424 3.036 10 30 DGEERO C=CC[C@H]1CC[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)C1 ZINC000623637589 401559320 /nfs/dbraw/zinc/55/93/20/401559320.db2.gz BQPUKZFIOGXYPH-GJZGRUSLSA-N 1 0 317.420 3.278 10 30 DGEERO C=CC[C@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000624142258 401631968 /nfs/dbraw/zinc/63/19/68/401631968.db2.gz QDWHFUYZGDVVQY-IRXDYDNUSA-N 1 0 307.482 3.105 10 30 DGEERO C=CCOc1ccccc1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632878657 401634300 /nfs/dbraw/zinc/63/43/00/401634300.db2.gz LBQUGKOVHPNNBS-HNNXBMFYSA-N 1 0 322.408 3.029 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CC(C)(C)[C@@H]2c2ccco2)CC1 ZINC000633039335 401646591 /nfs/dbraw/zinc/64/65/91/401646591.db2.gz CPLHGWZIHGHGCH-INIZCTEOSA-N 1 0 317.433 3.023 10 30 DGEERO C=CC[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000624375032 401656472 /nfs/dbraw/zinc/65/64/72/401656472.db2.gz DVZROVWQRMOFGX-JKSUJKDBSA-N 1 0 305.466 3.001 10 30 DGEERO C=CC(C)(C)CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000624464320 401662575 /nfs/dbraw/zinc/66/25/75/401662575.db2.gz VLPSDROVZKAHGZ-UHFFFAOYSA-N 1 0 317.477 3.192 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000624464829 401662685 /nfs/dbraw/zinc/66/26/85/401662685.db2.gz QZZDEXCLGQLOIL-WBVHZDCISA-N 1 0 319.493 3.247 10 30 DGEERO Cn1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000191216654 165237496 /nfs/dbraw/zinc/23/74/96/165237496.db2.gz YTSBONKRYGZHCW-HNNXBMFYSA-N 1 0 320.396 3.418 10 30 DGEERO Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000191216675 165238332 /nfs/dbraw/zinc/23/83/32/165238332.db2.gz YTSBONKRYGZHCW-OAHLLOKOSA-N 1 0 320.396 3.418 10 30 DGEERO Cc1csc(C2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000191299891 165242334 /nfs/dbraw/zinc/24/23/34/165242334.db2.gz JQTGXOMZBAZMNF-UHFFFAOYSA-N 1 0 300.431 3.041 10 30 DGEERO [NH2+]=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)NC1CC1 ZINC000129555301 227015564 /nfs/dbraw/zinc/01/55/64/227015564.db2.gz TXMPNNLZDRHVNT-UHFFFAOYSA-N 1 0 324.158 3.162 10 30 DGEERO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc2ccccc2c1 ZINC000181510719 228362851 /nfs/dbraw/zinc/36/28/51/228362851.db2.gz ZBPXZEDERXDAGW-HNNXBMFYSA-N 1 0 309.413 3.253 10 30 DGEERO [NH2+]=C(NC[C@H]1CC12CCSCC2)Nc1cc(F)ccc1F ZINC000263103187 228649281 /nfs/dbraw/zinc/64/92/81/228649281.db2.gz KFMJCUOCBVRVJT-SNVBAGLBSA-N 1 0 311.401 3.225 10 30 DGEERO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1sccc1C#N)c1ccco1 ZINC000359548141 270004219 /nfs/dbraw/zinc/00/42/19/270004219.db2.gz UBUIMAZURXZNTN-AAEUAGOBSA-N 1 0 317.414 3.072 10 30 DGEERO C=CCCCCCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000516782503 424820947 /nfs/dbraw/zinc/82/09/47/424820947.db2.gz SPYPFUZUUVAPPV-UHFFFAOYSA-N 1 0 319.453 3.018 10 30 DGEERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358555416 267155637 /nfs/dbraw/zinc/15/56/37/267155637.db2.gz KYGNYSGTEYSUEM-KFWWJZLASA-N 1 0 303.425 3.468 10 30 DGEERO C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(C#N)cc1F ZINC000358554274 267181816 /nfs/dbraw/zinc/18/18/16/267181816.db2.gz JOZCZAUTFBWWOC-ZDUSSCGKSA-N 1 0 317.408 3.187 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000449522308 273487730 /nfs/dbraw/zinc/48/77/30/273487730.db2.gz VCXKICCLQZESPT-WQVCFCJDSA-N 1 0 322.246 3.240 10 30 DGEERO CC[N@@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619695203 430597478 /nfs/dbraw/zinc/59/74/78/430597478.db2.gz UTADJWVSKVLYPN-NSHDSACASA-N 1 0 312.339 3.116 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000076734384 431562029 /nfs/dbraw/zinc/56/20/29/431562029.db2.gz PEJNRLVPFZJLMH-CQSZACIVSA-N 1 0 318.417 3.007 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000076734481 431562324 /nfs/dbraw/zinc/56/23/24/431562324.db2.gz XEZJIZIFNUCOJR-HNNXBMFYSA-N 1 0 306.475 3.482 10 30 DGEERO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000076491828 431553043 /nfs/dbraw/zinc/55/30/43/431553043.db2.gz OBYOPBMGTXTABW-QAPCUYQASA-N 1 0 316.445 3.054 10 30 DGEERO C=CCCCN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000076946799 431565408 /nfs/dbraw/zinc/56/54/08/431565408.db2.gz JZGOICKINABQPW-UHFFFAOYSA-N 1 0 315.461 3.390 10 30 DGEERO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC2(C)C)c(OC)c1 ZINC000077383084 431590907 /nfs/dbraw/zinc/59/09/07/431590907.db2.gz JTMRDIIGUKQHLK-MRXNPFEDSA-N 1 0 319.445 3.038 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691253 431695685 /nfs/dbraw/zinc/69/56/85/431695685.db2.gz NJEBLHOUIDMLJR-UONOGXRCSA-N 1 0 320.408 3.074 10 30 DGEERO C=CCCC[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000121034862 431740963 /nfs/dbraw/zinc/74/09/63/431740963.db2.gz ZVUVAPVBYBRBKM-UHFFFAOYSA-N 1 0 315.442 3.307 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121110350 431743635 /nfs/dbraw/zinc/74/36/35/431743635.db2.gz CTXKQACFZLZGDV-CYBMUJFWSA-N 1 0 305.378 3.128 10 30 DGEERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000122799346 431844777 /nfs/dbraw/zinc/84/47/77/431844777.db2.gz HMFJVHNGNIYKRQ-OAHLLOKOSA-N 1 0 300.431 3.307 10 30 DGEERO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)C(=O)N(C)CCC#N ZINC000122331015 431827111 /nfs/dbraw/zinc/82/71/11/431827111.db2.gz FMQFOXCQCJNJTE-HUUCEWRRSA-N 1 0 309.413 3.251 10 30 DGEERO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)cc1OC ZINC000093492441 431915304 /nfs/dbraw/zinc/91/53/04/431915304.db2.gz VKUVBIDRKGEPJM-NSHDSACASA-N 1 0 302.399 3.488 10 30 DGEERO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(C#N)cs2)c1 ZINC000093492162 431915908 /nfs/dbraw/zinc/91/59/08/431915908.db2.gz OFNBAEYILYGXCL-NSHDSACASA-N 1 0 302.399 3.488 10 30 DGEERO N#Cc1ccc2ncc(C[N@H+](Cc3ccccc3)C3CC3)n2c1 ZINC000125422800 431924575 /nfs/dbraw/zinc/92/45/75/431924575.db2.gz FQTNWKCROMBHOR-UHFFFAOYSA-N 1 0 302.381 3.371 10 30 DGEERO COc1cccc(F)c1[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107035 431890363 /nfs/dbraw/zinc/89/03/63/431890363.db2.gz YEPZUTFKIGVNRF-ZDUSSCGKSA-N 1 0 314.360 3.436 10 30 DGEERO CC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1cccc(O)c1 ZINC000091975000 431906695 /nfs/dbraw/zinc/90/66/95/431906695.db2.gz YWSJFQHSKSCSBH-CQSZACIVSA-N 1 0 320.396 3.495 10 30 DGEERO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248400419 432284955 /nfs/dbraw/zinc/28/49/55/432284955.db2.gz XRAPIPRIVXCWTO-PKOBYXMFSA-N 1 0 313.445 3.084 10 30 DGEERO C[C@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000173817897 432301889 /nfs/dbraw/zinc/30/18/89/432301889.db2.gz PJTBDXHFXIPROZ-SUMWQHHRSA-N 1 0 305.381 3.335 10 30 DGEERO COc1cccc(N2CC[C@H](C[NH2+][C@H]3CCC[C@@H](C#N)C3)C2)c1 ZINC000248793966 432317441 /nfs/dbraw/zinc/31/74/41/432317441.db2.gz IZFFPPVIWMQVDB-ZACQAIPSSA-N 1 0 313.445 3.193 10 30 DGEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000248969301 432330997 /nfs/dbraw/zinc/33/09/97/432330997.db2.gz SIEVJKZASFFMHE-RDJZCZTQSA-N 1 0 306.413 3.448 10 30 DGEERO OC[C@H](C1CC1)[N@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000192129650 432335777 /nfs/dbraw/zinc/33/57/77/432335777.db2.gz ZQGIPTDMNJYUAY-OAQYLSRUSA-N 1 0 305.421 3.311 10 30 DGEERO COC[C@H](NCC#Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000192161327 432338664 /nfs/dbraw/zinc/33/86/64/432338664.db2.gz SAYUITMDVNVMTP-SFHVURJKSA-N 1 0 301.336 3.294 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248712527 432313478 /nfs/dbraw/zinc/31/34/78/432313478.db2.gz BKYTWFNTZPIRDG-FUHWJXTLSA-N 1 0 315.461 3.115 10 30 DGEERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C12CCCC2 ZINC000174654241 432361598 /nfs/dbraw/zinc/36/15/98/432361598.db2.gz IQRXXKODFZDRNP-IAGOWNOFSA-N 1 0 324.428 3.033 10 30 DGEERO CC[N@H+](CCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000153697825 432433555 /nfs/dbraw/zinc/43/35/55/432433555.db2.gz PUZYTEJRMVKSSO-UHFFFAOYSA-N 1 0 304.397 3.271 10 30 DGEERO Cc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000193635129 432486538 /nfs/dbraw/zinc/48/65/38/432486538.db2.gz UWNPEMPNWVUTKO-NSHDSACASA-N 1 0 317.776 3.402 10 30 DGEERO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000156734291 432606442 /nfs/dbraw/zinc/60/64/42/432606442.db2.gz KIDYFCKNSVMACX-OAHLLOKOSA-N 1 0 305.466 3.230 10 30 DGEERO COc1ccc(C#N)cc1C[N@H+](C)CCc1ncc(C)s1 ZINC000157866154 432630124 /nfs/dbraw/zinc/63/01/24/432630124.db2.gz FZDROHYRQFRQFN-UHFFFAOYSA-N 1 0 301.415 3.006 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(Cl)cc2)CC1 ZINC000264337451 432637290 /nfs/dbraw/zinc/63/72/90/432637290.db2.gz HLOWEPFMZHBRAZ-UHFFFAOYSA-N 1 0 321.852 3.132 10 30 DGEERO C[C@H](CC[NH2+]Cc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000177697046 432652509 /nfs/dbraw/zinc/65/25/09/432652509.db2.gz IJGNKEDRKMQMNG-LLVKDONJSA-N 1 0 309.435 3.013 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c(F)c1 ZINC000160905039 432749434 /nfs/dbraw/zinc/74/94/34/432749434.db2.gz AAWMLJZKADUARA-OAHLLOKOSA-N 1 0 310.376 3.026 10 30 DGEERO C=CCCC[N@@H+](C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189360309 432780705 /nfs/dbraw/zinc/78/07/05/432780705.db2.gz LJUIIWSURKIANU-KRWDZBQOSA-N 1 0 322.399 3.354 10 30 DGEERO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(C#N)o1 ZINC000246004117 432873897 /nfs/dbraw/zinc/87/38/97/432873897.db2.gz JLALUUXPNAMXOV-IGOJGBNBSA-N 1 0 323.440 3.397 10 30 DGEERO C=CCCCCC[N@@H+](C)CCc1c(C)nc2ccccn2c1=O ZINC000290122791 432995578 /nfs/dbraw/zinc/99/55/78/432995578.db2.gz YVPVLVVPZJWFJI-UHFFFAOYSA-N 1 0 313.445 3.224 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000290176379 433007717 /nfs/dbraw/zinc/00/77/17/433007717.db2.gz RKLUOUMSBRNVTC-GXFFZTMASA-N 1 0 316.214 3.046 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000425347799 433186488 /nfs/dbraw/zinc/18/64/88/433186488.db2.gz CWMQUPWMBWGUTL-IRXDYDNUSA-N 1 0 317.429 3.323 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000425358732 433194346 /nfs/dbraw/zinc/19/43/46/433194346.db2.gz UOGBYBHYYGNVSG-GTAWCEEGSA-N 1 0 314.473 3.078 10 30 DGEERO C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374552857 433221317 /nfs/dbraw/zinc/22/13/17/433221317.db2.gz SJEJSYVQSPJROM-INIZCTEOSA-N 1 0 304.434 3.468 10 30 DGEERO C=CCCCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000448031749 433355243 /nfs/dbraw/zinc/35/52/43/433355243.db2.gz RVJATJHLMSUIHN-SJORKVTESA-N 1 0 315.461 3.257 10 30 DGEERO COc1cc(C[NH2+][C@H](C)COCc2ccccc2)ccc1C#N ZINC000281750124 433369441 /nfs/dbraw/zinc/36/94/41/433369441.db2.gz QXQIIMWBZGUDLN-OAHLLOKOSA-N 1 0 310.397 3.262 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000328914864 290003250 /nfs/dbraw/zinc/00/32/50/290003250.db2.gz QMPGKBUXIVDGDI-AIOUOQGWSA-N 1 0 321.465 3.397 10 30 DGEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000436305710 433934381 /nfs/dbraw/zinc/93/43/81/433934381.db2.gz GTDZFUQKVNWQKA-MKCYZYCBSA-N 1 0 301.430 3.305 10 30 DGEERO C#Cc1cccc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC000363296733 434012936 /nfs/dbraw/zinc/01/29/36/434012936.db2.gz DXDSJVIKPHGTJJ-UHFFFAOYSA-N 1 0 319.408 3.226 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000378448000 434187296 /nfs/dbraw/zinc/18/72/96/434187296.db2.gz JYALGUGDFIRNOD-MRXNPFEDSA-N 1 0 315.461 3.467 10 30 DGEERO C=CCC[C@H]([NH2+]Cc1ncn(Cc2cccc(F)c2)n1)C1CC1 ZINC000437094480 434214809 /nfs/dbraw/zinc/21/48/09/434214809.db2.gz KMHQZKCQAPQWCG-KRWDZBQOSA-N 1 0 314.408 3.300 10 30 DGEERO C=CCCCCCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000286988560 434302130 /nfs/dbraw/zinc/30/21/30/434302130.db2.gz JLOWERZFWDNROO-CQSZACIVSA-N 1 0 310.463 3.121 10 30 DGEERO CCCc1nc(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000328861723 434322586 /nfs/dbraw/zinc/32/25/86/434322586.db2.gz ZIQWGHKTDLNJCY-AGUYFDCRSA-N 1 0 305.422 3.255 10 30 DGEERO C=CCOc1cccc(C[N@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)c1 ZINC000366246372 434370932 /nfs/dbraw/zinc/37/09/32/434370932.db2.gz DTZWFHIFLXGJSU-HKUYNNGSSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1cccc(C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000366246378 434371812 /nfs/dbraw/zinc/37/18/12/434371812.db2.gz DTZWFHIFLXGJSU-PKOBYXMFSA-N 1 0 317.429 3.021 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)Cc1ccccc1 ZINC000358561664 434395628 /nfs/dbraw/zinc/39/56/28/434395628.db2.gz SNAQWSKFMOJSIK-KSMMKXTCSA-N 1 0 312.388 3.340 10 30 DGEERO C=C(CC)C[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000358506209 434396292 /nfs/dbraw/zinc/39/62/92/434396292.db2.gz JEDWQYDOAADBMF-ZDUSSCGKSA-N 1 0 306.372 3.075 10 30 DGEERO C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000359101131 434413566 /nfs/dbraw/zinc/41/35/66/434413566.db2.gz JQEZTKSUVQPKJR-CVEARBPZSA-N 1 0 319.497 3.144 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000287954763 434488619 /nfs/dbraw/zinc/48/86/19/434488619.db2.gz ICXRNPLCESNFNS-RDJZCZTQSA-N 1 0 303.450 3.285 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1 ZINC000458207878 434526235 /nfs/dbraw/zinc/52/62/35/434526235.db2.gz IVQSNJVYQMNMQV-HNNXBMFYSA-N 1 0 304.434 3.476 10 30 DGEERO O=C(C[n+]1ccc(-c2cccs2)nc1)c1ccc(Cl)cc1 ZINC000368065546 434566922 /nfs/dbraw/zinc/56/69/22/434566922.db2.gz DSRHFFWWGQZMAK-JQIJEIRASA-N 1 0 315.805 3.047 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000459642620 434644173 /nfs/dbraw/zinc/64/41/73/434644173.db2.gz SWOJUQPCEOPVHT-OAHLLOKOSA-N 1 0 309.413 3.463 10 30 DGEERO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382864 434644869 /nfs/dbraw/zinc/64/48/69/434644869.db2.gz BSPUGXHXIOPOMH-MSOLQXFVSA-N 1 0 318.436 3.112 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000424176531 434647179 /nfs/dbraw/zinc/64/71/79/434647179.db2.gz RQBDSZHVIFWZPF-KBPBESRZSA-N 1 0 315.335 3.308 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000424289675 434679731 /nfs/dbraw/zinc/67/97/31/434679731.db2.gz AAWQOGHSEXCFHP-PKEBMLEUSA-N 1 0 301.430 3.368 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000424292594 434680270 /nfs/dbraw/zinc/68/02/70/434680270.db2.gz GZUCWJVRVURVEK-DZKIICNBSA-N 1 0 305.418 3.254 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000424292796 434681032 /nfs/dbraw/zinc/68/10/32/434681032.db2.gz HJMLVRKOYSGBMK-ZVZYQTTQSA-N 1 0 311.429 3.329 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000424297504 434683593 /nfs/dbraw/zinc/68/35/93/434683593.db2.gz QTHUHNQELMZKFM-JYJNAYRXSA-N 1 0 303.402 3.090 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000424300002 434684843 /nfs/dbraw/zinc/68/48/43/434684843.db2.gz WMMOFGSNOHSARU-XIVBQZFQSA-N 1 0 319.420 3.474 10 30 DGEERO C=CCC1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000424603119 434754794 /nfs/dbraw/zinc/75/47/94/434754794.db2.gz ZRNVWSVQFCFQAK-KRWDZBQOSA-N 1 0 322.493 3.130 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[C@@H](F)C1)C(C)C ZINC000424654079 434769518 /nfs/dbraw/zinc/76/95/18/434769518.db2.gz HRJNBFOEAPHWDG-GVDBMIGSSA-N 1 0 310.457 3.330 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1 ZINC000361056693 434782009 /nfs/dbraw/zinc/78/20/09/434782009.db2.gz ZVNUSLYUBVEFKM-UHFFFAOYSA-N 1 0 311.429 3.154 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC12CCC2)C(C)C ZINC000444848484 434791210 /nfs/dbraw/zinc/79/12/10/434791210.db2.gz MUXFVVDNLPIINF-QGZVFWFLSA-N 1 0 319.493 3.413 10 30 DGEERO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CCOCC1 ZINC000424883317 434824915 /nfs/dbraw/zinc/82/49/15/434824915.db2.gz AUHHSPRERYGDEC-UHFFFAOYSA-N 1 0 316.445 3.368 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000463029110 434941334 /nfs/dbraw/zinc/94/13/34/434941334.db2.gz NGXFROVDPDQFIY-NRFANRHFSA-N 1 0 323.436 3.387 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@]23C[C@H]2COC3(C)C)ccc1OC ZINC000527767738 435015189 /nfs/dbraw/zinc/01/51/89/435015189.db2.gz YHPLAULMAISCSK-HNAYVOBHSA-N 1 0 317.429 3.307 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000527804579 435016190 /nfs/dbraw/zinc/01/61/90/435016190.db2.gz FUEQGWPDFRJCDK-SFHVURJKSA-N 1 0 322.408 3.168 10 30 DGEERO C=CC1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000528148390 435021179 /nfs/dbraw/zinc/02/11/79/435021179.db2.gz HNEWFHACICSXNJ-QGZVFWFLSA-N 1 0 305.466 3.001 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000525195120 435005855 /nfs/dbraw/zinc/00/58/55/435005855.db2.gz REWQMGGYIQBDPH-UHFFFAOYSA-N 1 0 308.381 3.292 10 30 DGEERO C=CCOc1ccccc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000557444819 435053076 /nfs/dbraw/zinc/05/30/76/435053076.db2.gz LEFHJWOLCARRNZ-UHFFFAOYSA-N 1 0 302.418 3.033 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1OC)C(C)C ZINC000576016241 435053994 /nfs/dbraw/zinc/05/39/94/435053994.db2.gz OGGWCSAPDRRIEL-KURKYZTESA-N 1 0 322.493 3.006 10 30 DGEERO C=CCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000467011686 435105755 /nfs/dbraw/zinc/10/57/55/435105755.db2.gz BEPRZOZLHRDGLU-SFHVURJKSA-N 1 0 315.461 3.259 10 30 DGEERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000532124864 435142688 /nfs/dbraw/zinc/14/26/88/435142688.db2.gz LHPLPRUNAKMBHK-AWEZNQCLSA-N 1 0 312.479 3.077 10 30 DGEERO C=CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccc(C)cc1 ZINC000479111770 435319646 /nfs/dbraw/zinc/31/96/46/435319646.db2.gz YSBUALYHFIKVJE-CQSZACIVSA-N 1 0 316.474 3.482 10 30 DGEERO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000535809802 435358204 /nfs/dbraw/zinc/35/82/04/435358204.db2.gz JDMPARIFEJYGAV-QZTJIDSGSA-N 1 0 301.430 3.500 10 30 DGEERO C[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1ccc(C#N)cc1F ZINC000480669516 435391753 /nfs/dbraw/zinc/39/17/53/435391753.db2.gz BRUDTGIVUOBBMH-ZDUSSCGKSA-N 1 0 322.387 3.477 10 30 DGEERO C=C(C)COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC ZINC000536640412 435395521 /nfs/dbraw/zinc/39/55/21/435395521.db2.gz DEQPDWCKNZTNTQ-UHFFFAOYSA-N 1 0 305.418 3.261 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000538149408 435485713 /nfs/dbraw/zinc/48/57/13/435485713.db2.gz YGDZUFIJVUMFCE-QGZVFWFLSA-N 1 0 300.446 3.498 10 30 DGEERO CC#CCN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000484529471 435545922 /nfs/dbraw/zinc/54/59/22/435545922.db2.gz DQEWDKIOBOTVHU-KRWDZBQOSA-N 1 0 306.400 3.493 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000519301572 435677643 /nfs/dbraw/zinc/67/76/43/435677643.db2.gz LOFREVMODZPNFK-DLBZAZTESA-N 1 0 307.482 3.151 10 30 DGEERO C[C@@H]([NH2+]C1(CNc2ccncc2C#N)CCCC1)c1ccccc1 ZINC000547824849 314399540 /nfs/dbraw/zinc/39/95/40/314399540.db2.gz AFMMCEBDOSFICS-MRXNPFEDSA-N 1 0 320.440 3.451 10 30 DGEERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C12CCCC2 ZINC000574681677 315990327 /nfs/dbraw/zinc/99/03/27/315990327.db2.gz XKTWBDKDAWBMTM-QZTJIDSGSA-N 1 0 314.429 3.394 10 30 DGEERO C=CC[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000188385157 333365057 /nfs/dbraw/zinc/36/50/57/333365057.db2.gz YUGOFNLTZQWCTG-QZTJIDSGSA-N 1 0 302.462 3.439 10 30 DGEERO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)CC(C)C ZINC000504433816 340147783 /nfs/dbraw/zinc/14/77/83/340147783.db2.gz KOTLLUVCPCWARA-MRXNPFEDSA-N 1 0 322.497 3.078 10 30 DGEERO C=C(C)C[N@H+](CCOc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512420152 340361290 /nfs/dbraw/zinc/36/12/90/340361290.db2.gz HRAMKMHQXXTDJB-UHFFFAOYSA-N 1 0 319.376 3.368 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542323638 341005206 /nfs/dbraw/zinc/00/52/06/341005206.db2.gz WDVZMYQQSNZPLV-IEBWSBKVSA-N 1 0 312.457 3.373 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000544609295 341088616 /nfs/dbraw/zinc/08/86/16/341088616.db2.gz KKSDGVWKULAIAH-MSOLQXFVSA-N 1 0 303.446 3.480 10 30 DGEERO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000183211323 533814858 /nfs/dbraw/zinc/81/48/58/533814858.db2.gz JROXLLBBNAQBLW-WFASDCNBSA-N 1 0 313.319 3.094 10 30 DGEERO COc1ccccc1N1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000181990985 534155533 /nfs/dbraw/zinc/15/55/33/534155533.db2.gz FRVPWZRJTWMDFW-HNNXBMFYSA-N 1 0 301.434 3.193 10 30 DGEERO C=C(CC)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000455516945 534408244 /nfs/dbraw/zinc/40/82/44/534408244.db2.gz DELGSHYXKGQBQY-HOCLYGCPSA-N 1 0 321.490 3.396 10 30 DGEERO C=C(CC)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000455516946 534409195 /nfs/dbraw/zinc/40/91/95/534409195.db2.gz DELGSHYXKGQBQY-ZBFHGGJFSA-N 1 0 321.490 3.396 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1c(CC)cccc1CC ZINC000451675949 534571753 /nfs/dbraw/zinc/57/17/53/534571753.db2.gz DEBIWQDKCLYHKB-SJORKVTESA-N 1 0 316.445 3.073 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CCCC1 ZINC000459055324 534600099 /nfs/dbraw/zinc/60/00/99/534600099.db2.gz UYQLXNFDQZFTEX-IRXDYDNUSA-N 1 0 321.509 3.495 10 30 DGEERO CCn1cc(C2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)cn1 ZINC000157977231 523357105 /nfs/dbraw/zinc/35/71/05/523357105.db2.gz BNDROKIWCNNAGO-UHFFFAOYSA-N 1 0 324.428 3.163 10 30 DGEERO C=CC[N@@H+](CCCn1ccnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000342860521 526275306 /nfs/dbraw/zinc/27/53/06/526275306.db2.gz OZVUZDYPJJOURD-UHFFFAOYSA-N 1 0 314.389 3.178 10 30 DGEERO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000337179035 526512342 /nfs/dbraw/zinc/51/23/42/526512342.db2.gz KYCKHHUPINTGGT-HZMBPMFUSA-N 1 0 313.228 3.431 10 30 DGEERO C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000359101137 526720659 /nfs/dbraw/zinc/72/06/59/526720659.db2.gz JQEZTKSUVQPKJR-HZPDHXFCSA-N 1 0 319.497 3.144 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000348047844 526759666 /nfs/dbraw/zinc/75/96/66/526759666.db2.gz GAWPVFHYIIRRGJ-IEBWSBKVSA-N 1 0 302.462 3.079 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000435745758 526802015 /nfs/dbraw/zinc/80/20/15/526802015.db2.gz QDVXOAJIMLEEQI-BBRMVZONSA-N 1 0 303.431 3.005 10 30 DGEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000435726873 526849123 /nfs/dbraw/zinc/84/91/23/526849123.db2.gz BUGYVSAKTPIXBM-XJKSGUPXSA-N 1 0 315.442 3.276 10 30 DGEERO C=CCOc1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000354035764 526866052 /nfs/dbraw/zinc/86/60/52/526866052.db2.gz DLRZTFLKUNVJBA-IBGZPJMESA-N 1 0 317.429 3.021 10 30 DGEERO C=C(CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000352996587 526870279 /nfs/dbraw/zinc/87/02/79/526870279.db2.gz HZDPQPZLFKRMMD-IAGOWNOFSA-N 1 0 315.461 3.262 10 30 DGEERO C=CCOc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000349019910 526871621 /nfs/dbraw/zinc/87/16/21/526871621.db2.gz BDIUHUQSNCYIRR-VQIMIIECSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000355656663 526873855 /nfs/dbraw/zinc/87/38/55/526873855.db2.gz KIGOOULVSKLTOF-HKUYNNGSSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 ZINC000180813712 526899454 /nfs/dbraw/zinc/89/94/54/526899454.db2.gz YWPVOUANRPSJRJ-BHIYHBOVSA-N 1 0 317.429 3.020 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000354559464 526931130 /nfs/dbraw/zinc/93/11/30/526931130.db2.gz FKXYKRSNWLHBPH-LJQANCHMSA-N 1 0 303.446 3.482 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000359809125 526951675 /nfs/dbraw/zinc/95/16/75/526951675.db2.gz YRPUEHGKDXOIQS-SFHVURJKSA-N 1 0 315.388 3.084 10 30 DGEERO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)cc2)CCOCC1 ZINC000424568967 527061100 /nfs/dbraw/zinc/06/11/00/527061100.db2.gz QXYBXRROKUWMCE-UHFFFAOYSA-N 1 0 302.418 3.060 10 30 DGEERO C=CCCC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000183251405 527077951 /nfs/dbraw/zinc/07/79/51/527077951.db2.gz ZEMCSMQXJQJIBL-HKUYNNGSSA-N 1 0 314.429 3.055 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(Br)cc1Cl ZINC000184284760 527100555 /nfs/dbraw/zinc/10/05/55/527100555.db2.gz LMYNPOSPDSGXJF-NSHDSACASA-N 1 0 304.615 3.129 10 30 DGEERO C=CC[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342098170 527130434 /nfs/dbraw/zinc/13/04/34/527130434.db2.gz DUOARFFNFVQVLF-FUHWJXTLSA-N 1 0 315.461 3.305 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184266723 527209235 /nfs/dbraw/zinc/20/92/35/527209235.db2.gz YFSAMXZQWMUURJ-GFCCVEGCSA-N 1 0 318.398 3.350 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000340940526 527249652 /nfs/dbraw/zinc/24/96/52/527249652.db2.gz ONDAFSIECJTOQS-CQSZACIVSA-N 1 0 322.399 3.467 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000359514237 527250973 /nfs/dbraw/zinc/25/09/73/527250973.db2.gz JUWCQPUBONWMOT-ZIAGYGMSSA-N 1 0 304.394 3.221 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000340740918 527273345 /nfs/dbraw/zinc/27/33/45/527273345.db2.gz IPKKDBSESRRJST-HNNXBMFYSA-N 1 0 304.409 3.328 10 30 DGEERO C=CCC[C@@H]([NH2+][C@@H]1CC(=O)N(c2cccc(OC)c2)C1)C1CC1 ZINC000346747297 527451116 /nfs/dbraw/zinc/45/11/16/527451116.db2.gz CZQUBOSGZNEXJD-CRAIPNDOSA-N 1 0 314.429 3.135 10 30 DGEERO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(N(CC)CCOC)n1 ZINC000352355059 527456412 /nfs/dbraw/zinc/45/64/12/527456412.db2.gz ATSKQWGZHIMWEQ-QGZVFWFLSA-N 1 0 303.450 3.095 10 30 DGEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000159059313 527464464 /nfs/dbraw/zinc/46/44/64/527464464.db2.gz RHBIDNBCNPQWLZ-AWEZNQCLSA-N 1 0 301.438 3.122 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358600016 527584983 /nfs/dbraw/zinc/58/49/83/527584983.db2.gz KBYQWCBYHKKIEN-UHFFFAOYSA-N 1 0 306.372 3.075 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052034882 545691489 /nfs/dbraw/zinc/69/14/89/545691489.db2.gz XGGHOCZOLDDLDR-SFHVURJKSA-N 1 0 316.420 3.033 10 30 DGEERO C=CCOc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000245770321 546299627 /nfs/dbraw/zinc/29/96/27/546299627.db2.gz ROZKPNQRZGHJGI-HKUYNNGSSA-N 1 0 301.430 3.378 10 30 DGEERO CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426744 547032231 /nfs/dbraw/zinc/03/22/31/547032231.db2.gz RWNUJTHFNLDRLE-RDJZCZTQSA-N 1 0 301.434 3.225 10 30 DGEERO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC=O ZINC000004102225 560196693 /nfs/dbraw/zinc/19/66/93/560196693.db2.gz BBVFHYCHEWCGBH-ZQIUZPCESA-N 1 0 317.429 3.238 10 30 in-vitro DGEERO CC(C)[NH2+]C1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735308969 574696688 /nfs/dbraw/zinc/69/66/88/574696688.db2.gz AIJRNEOWEDUSOA-UHFFFAOYSA-N 1 0 321.852 3.205 10 30 DGEERO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735310956 574697211 /nfs/dbraw/zinc/69/72/11/574697211.db2.gz JILXUBWGQXKMHH-CVEARBPZSA-N 1 0 322.836 3.368 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000736622935 574761709 /nfs/dbraw/zinc/76/17/09/574761709.db2.gz FDBHGHVIUZMKTG-UHFFFAOYSA-N 1 0 301.386 3.459 10 30 DGEERO CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779152 574970023 /nfs/dbraw/zinc/97/00/23/574970023.db2.gz QOBJQAIMLDTONM-CVEARBPZSA-N 1 0 306.450 3.121 10 30 DGEERO COc1ccc(C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)cc1C#N ZINC000742372143 574993704 /nfs/dbraw/zinc/99/37/04/574993704.db2.gz SMMHCFRFWQLLBJ-QZTJIDSGSA-N 1 0 316.445 3.496 10 30 DGEERO C#C[C@H]([NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000300738023 617686141 /nfs/dbraw/zinc/68/61/41/617686141.db2.gz ALQLXWMTLTWVRY-PMPSAXMXSA-N 1 0 308.466 3.269 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCCOc2ccc(F)cc2)c1 ZINC000104182124 617962712 /nfs/dbraw/zinc/96/27/12/617962712.db2.gz QVBGTQBUCOIPGD-UHFFFAOYSA-N 1 0 301.365 3.330 10 30 DGEERO C#CCOc1ccccc1C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000152173179 620495934 /nfs/dbraw/zinc/49/59/34/620495934.db2.gz ICXIYDAJMRDYJY-SFHVURJKSA-N 1 0 306.409 3.067 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)c1ccccc1F ZINC000121355556 621317008 /nfs/dbraw/zinc/31/70/08/621317008.db2.gz AKSZCXGINULFHU-CABCVRRESA-N 1 0 305.393 3.206 10 30 DGEERO C#CCOc1ccccc1C[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000128235398 624802261 /nfs/dbraw/zinc/80/22/61/624802261.db2.gz RZWAZZBWBPHEFC-FUHWJXTLSA-N 1 0 301.430 3.120 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](CC(C)C)C1CC1 ZINC000131039324 625933261 /nfs/dbraw/zinc/93/32/61/625933261.db2.gz BPFJLMIPHSGHAC-UHFFFAOYSA-N 1 0 309.417 3.203 10 30 DGEERO CC[N@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H](C)C(C)C ZINC000131090201 625943204 /nfs/dbraw/zinc/94/32/04/625943204.db2.gz ZVCGCLHZUTXJEF-AWEZNQCLSA-N 1 0 311.433 3.449 10 30 DGEERO C#C[C@H]([NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC000702235448 660716947 /nfs/dbraw/zinc/71/69/47/660716947.db2.gz AECQCYOHFFLOFB-ILXRZTDVSA-N 1 0 308.466 3.269 10 30 DGEERO C[C@@]12CN(CC3(CC#N)CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702276644 660718577 /nfs/dbraw/zinc/71/85/77/660718577.db2.gz SMOKRRNHNCBGOZ-RBUKOAKNSA-N 1 0 309.457 3.134 10 30 DGEERO C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707909456 660915320 /nfs/dbraw/zinc/91/53/20/660915320.db2.gz IANOTARCMVZFRS-XQQFMLRXSA-N 1 0 300.830 3.117 10 30 DGEERO C=C(C)CNC(=[NH2+])NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090989660 655731291 /nfs/dbraw/zinc/73/12/91/655731291.db2.gz LTVCVXXNEBVXLS-UHFFFAOYSA-N 1 0 304.397 3.206 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000176833567 655851599 /nfs/dbraw/zinc/85/15/99/655851599.db2.gz CQIXUMYYQRBWSM-ZDUSSCGKSA-N 1 0 309.417 3.203 10 30 DGEERO C[NH+]1CCC(CC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000330192850 656178376 /nfs/dbraw/zinc/17/83/76/656178376.db2.gz NYDBMPDGVKXDRG-CZUORRHYSA-N 1 0 309.454 3.208 10 30 DGEERO C[NH+]=C(NCc1scnc1C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000261957277 657256524 /nfs/dbraw/zinc/25/65/24/657256524.db2.gz JDPKWNRMSUEJIN-LLVKDONJSA-N 1 0 320.437 3.325 10 30 DGEERO CC[NH+]=C(NCC(F)F)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261996005 657276326 /nfs/dbraw/zinc/27/63/26/657276326.db2.gz SLFHXZWIHBUJEU-GFCCVEGCSA-N 1 0 311.376 3.109 10 30 DGEERO CN(C)C(=[NH+]Cc1ccc(-c2ccccc2C#N)cc1)N(C)C ZINC000090989654 657365867 /nfs/dbraw/zinc/36/58/67/657365867.db2.gz BGJIEAVCKFXYRB-UHFFFAOYSA-N 1 0 306.413 3.204 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2cnn(-c3ccccc3)c2)c1 ZINC000303773149 657560948 /nfs/dbraw/zinc/56/09/48/657560948.db2.gz FCFKTYKJCLGVFK-UHFFFAOYSA-N 1 0 305.385 3.108 10 30 DGEERO CCOc1ccc(CNC(=[NH2+])Nc2cccc(C)c2)cc1OC ZINC000303885001 657571246 /nfs/dbraw/zinc/57/12/46/657571246.db2.gz JLZBGRCFJAYFNF-UHFFFAOYSA-N 1 0 313.401 3.329 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000303884213 657572039 /nfs/dbraw/zinc/57/20/39/657572039.db2.gz JABSGYHLYHGWDL-KRWDZBQOSA-N 1 0 302.466 3.232 10 30 DGEERO COc1cc(Cl)ccc1CNC(=[NH2+])NCCc1cccs1 ZINC000304742240 657645870 /nfs/dbraw/zinc/64/58/70/657645870.db2.gz COOQFBQARHLDHH-UHFFFAOYSA-N 1 0 323.849 3.057 10 30 DGEERO COc1ccc(O[C@H](C)CNC(=[NH2+])Nc2cccc(C)c2)cc1 ZINC000304756722 657647535 /nfs/dbraw/zinc/64/75/35/657647535.db2.gz NXFVJHYDCWSQKV-CQSZACIVSA-N 1 0 313.401 3.198 10 30 DGEERO CSCCCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304764376 657650252 /nfs/dbraw/zinc/65/02/52/657650252.db2.gz XZAAKTBCMVXYSG-UHFFFAOYSA-N 1 0 321.368 3.455 10 30 DGEERO CCc1cnc(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)s1 ZINC000304805152 657653264 /nfs/dbraw/zinc/65/32/64/657653264.db2.gz QWWNVCVHDIKNHB-UHFFFAOYSA-N 1 0 314.458 3.164 10 30 DGEERO [NH2+]=C(NCCCCOCCc1ccccc1)NC1CCCCC1 ZINC000303877569 657696935 /nfs/dbraw/zinc/69/69/35/657696935.db2.gz IRPMZFDJNBBOMN-UHFFFAOYSA-N 1 0 317.477 3.263 10 30 DGEERO COc1ccc(C[C@@H](C)CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000305720289 657973919 /nfs/dbraw/zinc/97/39/19/657973919.db2.gz WBCYQPXALFKQJN-CQSZACIVSA-N 1 0 303.450 3.111 10 30 DGEERO Cc1cccc2[nH]c(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)nc21 ZINC000305738389 657993310 /nfs/dbraw/zinc/99/33/10/657993310.db2.gz YXTUOPLIAXPSJC-AWEZNQCLSA-N 1 0 315.465 3.490 10 30 DGEERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000721847877 658754160 /nfs/dbraw/zinc/75/41/60/658754160.db2.gz LMZFXEYPSBOVTB-ZIAGYGMSSA-N 1 0 309.454 3.161 10 30 DGEERO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164259836 658923313 /nfs/dbraw/zinc/92/33/13/658923313.db2.gz UUGUPIYPXOFMOQ-UKRRQHHQSA-N 1 0 310.463 3.454 10 30 DGEERO COC(=O)c1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)cc1 ZINC000170905096 659246347 /nfs/dbraw/zinc/24/63/47/659246347.db2.gz KYJXLMIERAEFGX-UHFFFAOYSA-N 1 0 311.385 3.017 10 30 DGEERO CCCCCCCCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173527991 659391331 /nfs/dbraw/zinc/39/13/31/659391331.db2.gz XVOIKFWRCWYFTP-KRWDZBQOSA-N 1 0 307.482 3.393 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1 ZINC000245649751 662237767 /nfs/dbraw/zinc/23/77/67/662237767.db2.gz MOKJLLXSMDYYBW-NHCUHLMSSA-N 1 0 320.436 3.234 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000227683929 685118459 /nfs/dbraw/zinc/11/84/59/685118459.db2.gz AEOVFIDOUGHASM-CQSZACIVSA-N 1 0 320.433 3.254 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2CC)cc1OC ZINC000236829142 1176490602 /nfs/dbraw/zinc/49/06/02/1176490602.db2.gz UJIZJPAMPGLOQQ-KRWDZBQOSA-N 1 0 318.461 3.224 10 30 DGEERO C#CCN(C)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000392816589 1197718476 /nfs/dbraw/zinc/71/84/76/1197718476.db2.gz QKIJXFACORDJLF-UHFFFAOYSA-N 1 0 322.452 3.310 10 30 DGEERO CC[N@@H+]1CCC[C@H]1CNc1cc(Br)ccc1C#N ZINC000123086828 1199352121 /nfs/dbraw/zinc/35/21/21/1199352121.db2.gz RSISDWHCPMZCSX-ZDUSSCGKSA-N 1 0 308.223 3.217 10 30 DGEERO C=CCCCC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401974111 1199428069 /nfs/dbraw/zinc/42/80/69/1199428069.db2.gz QTDBZCVLCLNVFM-KRWDZBQOSA-N 1 0 302.418 3.343 10 30 DGEERO C[NH+](C)C[C@H]1CCCN(c2cc(Br)ccc2C#N)C1 ZINC000405167729 1199593681 /nfs/dbraw/zinc/59/36/81/1199593681.db2.gz KDPOBIIJYXDMAL-GFCCVEGCSA-N 1 0 322.250 3.099 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000168965306 1202211227 /nfs/dbraw/zinc/21/12/27/1202211227.db2.gz WGSCPVSKERYRMI-FHWLQOOXSA-N 1 0 311.425 3.136 10 30 DGEERO C=CCN1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000237729827 1202692466 /nfs/dbraw/zinc/69/24/66/1202692466.db2.gz YSGRTPPUVUCBPE-UHFFFAOYSA-N 1 0 314.351 3.325 10 30 DGEERO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000029415325 717119375 /nfs/dbraw/zinc/11/93/75/717119375.db2.gz DFCXKIFRBUYLET-GJZGRUSLSA-O 1 0 319.469 3.280 10 30 DGEERO C[N+](C)(CC(=O)N1CCSc2ccccc21)C1CCCC1 ZINC000029414024 717118530 /nfs/dbraw/zinc/11/85/30/717118530.db2.gz RBJJSDBEZDICKK-UHFFFAOYSA-N 1 0 305.467 3.144 10 30 DGEERO CC(C)c1ccc(CCNC(=O)C[N+](C)(C)C2CCCC2)cc1 ZINC000029414752 717119060 /nfs/dbraw/zinc/11/90/60/717119060.db2.gz YXJMQACUTHARDP-UHFFFAOYSA-O 1 0 317.497 3.488 10 30 DGEERO N#Cc1cccc(C[NH2+]Cc2c(O)cccc2Br)c1 ZINC000706804796 1082139820 /nfs/dbraw/zinc/13/98/20/1082139820.db2.gz QWACROFYDRTJCH-UHFFFAOYSA-N 1 0 317.186 3.316 10 30 DGEERO C#CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000176383978 1087716725 /nfs/dbraw/zinc/71/67/25/1087716725.db2.gz WVVTTZRBEBOKIT-OAHLLOKOSA-N 1 0 306.450 3.121 10 30 DGEERO CC[N@@H+]1CCCN(c2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC000320915795 1095954915 /nfs/dbraw/zinc/95/49/15/1095954915.db2.gz RGXHRIQRWMLLOH-LBPRGKRZSA-N 1 0 322.250 3.241 10 30 DGEERO C#CCCCCC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000723998750 1106527514 /nfs/dbraw/zinc/52/75/14/1106527514.db2.gz JKYASDSXXQVQDV-IBGZPJMESA-N 1 0 312.457 3.208 10 30 DGEERO Cc1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc1C#N ZINC000302639189 230328947 /nfs/dbraw/zinc/32/89/47/230328947.db2.gz KXONVYXYHSEVPZ-QGZVFWFLSA-N 1 0 306.413 3.338 10 30 DGEERO CC[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000184043277 529585631 /nfs/dbraw/zinc/58/56/31/529585631.db2.gz ZMGCHBOOBQUTHF-AWEZNQCLSA-N 1 0 319.474 3.474 10 30 DGEERO CC[C@H](C)[N@H+](Cc1cc(C#CCO)cs1)Cc1ccncc1 ZINC000063846058 432007347 /nfs/dbraw/zinc/00/73/47/432007347.db2.gz NMAUXXVLATTWHD-HNNXBMFYSA-N 1 0 314.454 3.288 10 30 DGEERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2C)[C@H](C)C1 ZINC000177865831 186195888 /nfs/dbraw/zinc/19/58/88/186195888.db2.gz KQPMVMMILRRJAC-PBHICJAKSA-N 1 0 314.433 3.061 10 30 DGEERO N#Cc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000094368332 283147333 /nfs/dbraw/zinc/14/73/33/283147333.db2.gz HEDRJMBILWNCJE-MRXNPFEDSA-N 1 0 302.443 3.093 10 30 DGEERO CC(C)(C[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000179640774 432065726 /nfs/dbraw/zinc/06/57/26/432065726.db2.gz PVLKEXSICKYZJP-UHFFFAOYSA-N 1 0 320.440 3.053 10 30 DGEERO C[C@H]1Cc2ccccc2N1/N=C/c1cc[n+](C)c2ccccc12 ZINC000006066779 181309815 /nfs/dbraw/zinc/30/98/15/181309815.db2.gz ODXWFQKMQCQBLG-HNNXBMFYSA-N 1 0 302.401 3.449 10 30 DGEERO COc1ccc(C[N@@H+](C)CCc2ccccc2OC)cc1C#N ZINC000135045173 432097264 /nfs/dbraw/zinc/09/72/64/432097264.db2.gz WEKXQHQIHYHJQC-UHFFFAOYSA-N 1 0 310.397 3.250 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000449365663 240158008 /nfs/dbraw/zinc/15/80/08/240158008.db2.gz UQOQGZWHHFSEKP-GOSISDBHSA-N 1 0 315.388 3.084 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449497557 240246799 /nfs/dbraw/zinc/24/67/99/240246799.db2.gz ANNSYYZDMDQGAF-PKOBYXMFSA-N 1 0 301.430 3.138 10 30 DGEERO C=CCC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000449694408 240374803 /nfs/dbraw/zinc/37/48/03/240374803.db2.gz BLLQZFWIXNQAAC-CRAIPNDOSA-N 1 0 318.461 3.444 10 30 DGEERO COc1ccc2c(c1)C[C@H]([NH2+]CCOc1ccc(C#N)cc1)CC2 ZINC000090107438 283984175 /nfs/dbraw/zinc/98/41/75/283984175.db2.gz LTWFHTRMGIBGMN-GOSISDBHSA-N 1 0 322.408 3.093 10 30 DGEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246277196 432115618 /nfs/dbraw/zinc/11/56/18/432115618.db2.gz BVEWEJTYOCITCL-RDJZCZTQSA-N 1 0 306.413 3.448 10 30 DGEERO C(#Cc1ccccc1)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471000335 244202129 /nfs/dbraw/zinc/20/21/29/244202129.db2.gz ZMZBWBZRFWCCAU-SZPZYZBQSA-N 1 0 316.448 3.102 10 30 DGEERO C=CCC[C@@H](O)C[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000472743996 244312719 /nfs/dbraw/zinc/31/27/19/244312719.db2.gz CMCGOCPNXIQKPT-HZPDHXFCSA-N 1 0 322.880 3.346 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)CC1 ZINC000473817730 244349484 /nfs/dbraw/zinc/34/94/84/244349484.db2.gz AVAGMTAIJOHBMK-OWCLPIDISA-N 1 0 307.482 3.103 10 30 DGEERO CCS[C@H]1CCCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093361764 193238451 /nfs/dbraw/zinc/23/84/51/193238451.db2.gz GJIAIMRSHMEYDV-INIZCTEOSA-N 1 0 314.458 3.314 10 30 DGEERO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000093611350 193274175 /nfs/dbraw/zinc/27/41/75/193274175.db2.gz VXRGLIFHDBTPHU-MRXNPFEDSA-N 1 0 309.413 3.248 10 30 DGEERO C=CCCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493984737 246103188 /nfs/dbraw/zinc/10/31/88/246103188.db2.gz JKGJXSMIWPIIAG-GDBMZVCRSA-N 1 0 310.800 3.307 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccc(C)s1)C(C)C ZINC000496015879 246342115 /nfs/dbraw/zinc/34/21/15/246342115.db2.gz XEWVCSFEIHFFIT-KRWDZBQOSA-N 1 0 320.502 3.414 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccc(C)s1)C(C)C ZINC000496015880 246342236 /nfs/dbraw/zinc/34/22/36/246342236.db2.gz XEWVCSFEIHFFIT-QGZVFWFLSA-N 1 0 320.502 3.414 10 30 DGEERO CCOCC[N@@H+]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000246476703 432136297 /nfs/dbraw/zinc/13/62/97/432136297.db2.gz XZWKDHJEEQEWRX-APWZRJJASA-N 1 0 315.461 3.052 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000171553079 432144018 /nfs/dbraw/zinc/14/40/18/432144018.db2.gz BLQSPUCRRANBDT-ZDUSSCGKSA-N 1 0 307.463 3.149 10 30 DGEERO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000159812623 197366633 /nfs/dbraw/zinc/36/66/33/197366633.db2.gz SRAIJAHZSVOMMI-SNVBAGLBSA-N 1 0 308.307 3.161 10 30 DGEERO N/C(CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)=N/O ZINC000042546096 183282595 /nfs/dbraw/zinc/28/25/95/183282595.db2.gz SYTYNRNBRTUYNW-UHFFFAOYSA-N 1 0 302.205 3.094 10 30 DGEERO C[C@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1cccc(C#N)c1 ZINC000181919432 432150262 /nfs/dbraw/zinc/15/02/62/432150262.db2.gz XWPXJYCFLHDBKV-SUMWQHHRSA-N 1 0 305.381 3.335 10 30 DGEERO CCN(CCC#N)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955181 183321372 /nfs/dbraw/zinc/32/13/72/183321372.db2.gz NDDBQAACFAPVDN-RISCZKNCSA-N 1 0 310.239 3.073 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC)CCC#N ZINC000042955189 183322181 /nfs/dbraw/zinc/32/21/81/183322181.db2.gz NYPUYUSJTVOXFA-HUUCEWRRSA-N 1 0 324.266 3.463 10 30 DGEERO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CCC#N)C1CC1 ZINC000043021818 183330023 /nfs/dbraw/zinc/33/00/23/183330023.db2.gz GWXZRFJLHHARJB-NHYWBVRUSA-N 1 0 322.250 3.215 10 30 DGEERO CC(C)N(CCC#N)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021807 183330129 /nfs/dbraw/zinc/33/01/29/183330129.db2.gz WBKDYZBGKXUSFD-DOMZBBRYSA-N 1 0 324.266 3.461 10 30 DGEERO Cc1cccc([C@@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000153981617 284704598 /nfs/dbraw/zinc/70/45/98/284704598.db2.gz AHXJXPIEVSUUKD-HNNXBMFYSA-N 1 0 304.397 3.408 10 30 DGEERO C[C@@H]([NH3+])Cc1cccc(Br)c1OCCCCC#N ZINC000049579254 183744073 /nfs/dbraw/zinc/74/40/73/183744073.db2.gz QZZTZCXQJAJLML-LLVKDONJSA-N 1 0 311.223 3.411 10 30 DGEERO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)cc1 ZINC000268862832 207031592 /nfs/dbraw/zinc/03/15/92/207031592.db2.gz CCYLPQQOZSLFJB-UONOGXRCSA-N 1 0 320.824 3.149 10 30 DGEERO CCN(C[C@H](C)C#N)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061697408 184183960 /nfs/dbraw/zinc/18/39/60/184183960.db2.gz RSRYDDWNHJISRI-GHMZBOCLSA-N 1 0 310.239 3.455 10 30 DGEERO C=C[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCOC ZINC000062730167 184251223 /nfs/dbraw/zinc/25/12/23/184251223.db2.gz LQPIDOOIVPPGSD-NSHDSACASA-N 1 0 314.223 3.138 10 30 DGEERO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](C)C2)c(C#N)c1C ZINC000248566025 285006205 /nfs/dbraw/zinc/00/62/05/285006205.db2.gz OWIVNJCWOYZEJH-DGCLKSJQSA-N 1 0 303.406 3.217 10 30 DGEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(Cl)cc1Cl ZINC000424074278 533262658 /nfs/dbraw/zinc/26/26/58/533262658.db2.gz GWHJQPHZCTZTSK-NOZJJQNGSA-N 1 0 314.216 3.192 10 30 DGEERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000330251645 533391491 /nfs/dbraw/zinc/39/14/91/533391491.db2.gz HUZDEOUXYNMGSG-RVSPLBMKSA-N 1 0 318.417 3.137 10 30 DGEERO C=CCCC[C@H](C)[N@@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000091512822 400125119 /nfs/dbraw/zinc/12/51/19/400125119.db2.gz SXNLWJKCMAKRLF-AWEZNQCLSA-N 1 0 308.495 3.357 10 30 DGEERO C=CCCCC[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600733180 400140007 /nfs/dbraw/zinc/14/00/07/400140007.db2.gz CEKXFPQPFYPQJD-UHFFFAOYSA-N 1 0 311.466 3.195 10 30 DGEERO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C3CC3)CC2)nc1 ZINC000585794101 400142784 /nfs/dbraw/zinc/14/27/84/400142784.db2.gz DUTUVEYLUWRAMG-MOPGFXCFSA-N 1 0 324.472 3.480 10 30 DGEERO C=C(C)COc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000067320898 400161955 /nfs/dbraw/zinc/16/19/55/400161955.db2.gz DGFYCKRAGXCQBH-MRXNPFEDSA-N 1 0 317.433 3.247 10 30 DGEERO C=CCOc1cccnc1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351089782 400231021 /nfs/dbraw/zinc/23/10/21/400231021.db2.gz OLOPKOYTWBTQQU-UHFFFAOYSA-N 1 0 319.324 3.011 10 30 DGEERO Cn1ccnc1C[C@H](NC(=O)CCCCCC#N)c1ccccc1 ZINC000588160036 400193704 /nfs/dbraw/zinc/19/37/04/400193704.db2.gz WLXVRGWVXKXMAS-KRWDZBQOSA-N 1 0 324.428 3.294 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(-n2ccnn2)c1 ZINC000588229446 400202659 /nfs/dbraw/zinc/20/26/59/400202659.db2.gz JQRYWSICHRQYEX-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO N#Cc1c(F)cccc1Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000092978341 400218678 /nfs/dbraw/zinc/21/86/78/400218678.db2.gz KSUGYSLRVFIXBA-UHFFFAOYSA-N 1 0 313.380 3.123 10 30 DGEERO Cn1ccnc1C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000610488884 400263710 /nfs/dbraw/zinc/26/37/10/400263710.db2.gz QULUWHLTXLKPEC-KRWDZBQOSA-N 1 0 322.437 3.427 10 30 DGEERO C=CCOc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000589079497 400257944 /nfs/dbraw/zinc/25/79/44/400257944.db2.gz RSXOCIGLZYMQHB-UHFFFAOYSA-N 1 0 320.352 3.084 10 30 DGEERO CCOc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1O ZINC000610946897 400327032 /nfs/dbraw/zinc/32/70/32/400327032.db2.gz XJXSCRGQPZQYFN-UHFFFAOYSA-N 1 0 300.333 3.091 10 30 DGEERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000070786498 400357068 /nfs/dbraw/zinc/35/70/68/400357068.db2.gz DCTNHDFWKSPJJZ-LSDHHAIUSA-N 1 0 301.434 3.221 10 30 DGEERO C=CCOCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000611543938 400418956 /nfs/dbraw/zinc/41/89/56/400418956.db2.gz SJXRYUHTXZWPRV-UHFFFAOYSA-N 1 0 302.330 3.147 10 30 DGEERO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(C#N)cc1F ZINC000611587980 400428148 /nfs/dbraw/zinc/42/81/48/400428148.db2.gz NPSWPLXPUFYJEC-LLVKDONJSA-N 1 0 311.351 3.077 10 30 DGEERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000042979343 400448751 /nfs/dbraw/zinc/44/87/51/400448751.db2.gz AGVHZVAWUUMLLL-LIRRHRJNSA-N 1 0 313.445 3.269 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617975801 400495699 /nfs/dbraw/zinc/49/56/99/400495699.db2.gz DYNMVYIQHUGRQY-INIZCTEOSA-N 1 0 315.461 3.012 10 30 DGEERO C=C(C)C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)OC ZINC000602733561 400557256 /nfs/dbraw/zinc/55/72/56/400557256.db2.gz JDIOGVMFIDGMDE-RYQLBKOJSA-N 1 0 322.493 3.127 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592392820 400643521 /nfs/dbraw/zinc/64/35/21/400643521.db2.gz BKKMHAIYXSNPHI-LSDHHAIUSA-N 1 0 311.466 3.315 10 30 DGEERO COc1ccc(OC)c(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742624 400680167 /nfs/dbraw/zinc/68/01/67/400680167.db2.gz NEAWTUGGISUJPJ-GOSISDBHSA-N 1 0 308.381 3.353 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000605949297 400888957 /nfs/dbraw/zinc/88/89/57/400888957.db2.gz ULFAPXMASDWBFQ-SFHVURJKSA-N 1 0 317.477 3.459 10 30 DGEERO Cc1cn2c(C[NH2+]CC3CCC(C#N)CC3)c(C)nc2s1 ZINC000619655169 400878217 /nfs/dbraw/zinc/87/82/17/400878217.db2.gz PYKABTAOXVRRKE-UHFFFAOYSA-N 1 0 302.447 3.432 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC(=O)OC)c2)C1 ZINC000593598383 400878996 /nfs/dbraw/zinc/87/89/96/400878996.db2.gz QDROUCTUWGRMLI-GDBMZVCRSA-N 1 0 303.402 3.073 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000593612993 400881354 /nfs/dbraw/zinc/88/13/54/400881354.db2.gz FNWTUPPIDZACBG-AYBZRNKSSA-N 1 0 323.440 3.388 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000605737487 400884520 /nfs/dbraw/zinc/88/45/20/400884520.db2.gz FPBZJZYIKAORBB-LJQANCHMSA-N 1 0 318.461 3.407 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183224675 400899892 /nfs/dbraw/zinc/89/98/92/400899892.db2.gz PJMPSVPKSGGAMB-SFHVURJKSA-N 1 0 313.445 3.052 10 30 DGEERO CO[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1C ZINC000188320065 400907811 /nfs/dbraw/zinc/90/78/11/400907811.db2.gz FKVVQQZIZVADNC-QAPCUYQASA-N 1 0 302.418 3.226 10 30 DGEERO N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1OCc1ccccc1 ZINC000593919527 400920665 /nfs/dbraw/zinc/92/06/65/400920665.db2.gz TZTYQCGXLHLSIF-INIZCTEOSA-N 1 0 323.396 3.225 10 30 DGEERO C=CCCC(C)(C)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000620857809 400998540 /nfs/dbraw/zinc/99/85/40/400998540.db2.gz KDBDQIVWHGOHFF-UHFFFAOYSA-N 1 0 300.446 3.296 10 30 DGEERO Cc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)ccc1Br ZINC000594427619 401064931 /nfs/dbraw/zinc/06/49/31/401064931.db2.gz VIOKETLQRFKARY-ZDUSSCGKSA-N 1 0 324.222 3.107 10 30 DGEERO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000248243266 401068567 /nfs/dbraw/zinc/06/85/67/401068567.db2.gz FUVAGZZUMKRDJG-ZWKOTPCHSA-N 1 0 307.409 3.134 10 30 DGEERO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000594601641 401127138 /nfs/dbraw/zinc/12/71/38/401127138.db2.gz YLLMYBLGEIKITM-GFCCVEGCSA-N 1 0 300.189 3.343 10 30 DGEERO C=CCC1([NH2+]CC(=O)N(CCC)CC(F)(F)F)CCCC1 ZINC000625541040 401151937 /nfs/dbraw/zinc/15/19/37/401151937.db2.gz PJMGLYZKQVGWOY-UHFFFAOYSA-N 1 0 306.372 3.266 10 30 DGEERO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000625749914 401201165 /nfs/dbraw/zinc/20/11/65/401201165.db2.gz BMDRDXWVLUZWOL-AMIZOPFISA-N 1 0 320.177 3.315 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594968970 401212656 /nfs/dbraw/zinc/21/26/56/401212656.db2.gz YCCCHSPBUAOZLR-XFQAVAEZSA-N 1 0 307.459 3.031 10 30 DGEERO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000625701750 401186174 /nfs/dbraw/zinc/18/61/74/401186174.db2.gz CPBPGOVIFVKMAX-GOEBONIOSA-N 1 0 309.837 3.116 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701379 401186797 /nfs/dbraw/zinc/18/67/97/401186797.db2.gz QPHZOSXOBMEVCB-ZIAGYGMSSA-N 1 0 322.399 3.382 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2cc(OC)ncc2Br)C1 ZINC000625705648 401188215 /nfs/dbraw/zinc/18/82/15/401188215.db2.gz SAFOBNLFDWLCEA-NSHDSACASA-N 1 0 311.223 3.251 10 30 DGEERO C=C[C@H](CC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634763994 401347128 /nfs/dbraw/zinc/34/71/28/401347128.db2.gz IWMAODBKZNIRTP-WBVHZDCISA-N 1 0 300.446 3.241 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cccc(Br)c1Cl ZINC000631111255 401398061 /nfs/dbraw/zinc/39/80/61/401398061.db2.gz NOZHQTYXTFMGMI-SNVBAGLBSA-N 1 0 304.615 3.129 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000627083772 401440930 /nfs/dbraw/zinc/44/09/30/401440930.db2.gz ZDTBZMLHPYMZQX-DNVCBOLYSA-N 1 0 323.440 3.447 10 30 DGEERO C=C1CC(C)(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000631563441 401497840 /nfs/dbraw/zinc/49/78/40/401497840.db2.gz VIKLHEXBSDHYMZ-QGZVFWFLSA-N 1 0 312.457 3.466 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000623390577 401506477 /nfs/dbraw/zinc/50/64/77/401506477.db2.gz UIHRGJXCUGRUEY-MRXNPFEDSA-N 1 0 307.482 3.249 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1c(Br)c(C)nn1C ZINC000623593070 401552411 /nfs/dbraw/zinc/55/24/11/401552411.db2.gz RVUIJIHMCRGXCO-UHFFFAOYSA-N 1 0 300.244 3.183 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000624102331 401626023 /nfs/dbraw/zinc/62/60/23/401626023.db2.gz SWQCGFCAAGVRNA-UONOGXRCSA-N 1 0 305.409 3.134 10 30 DGEERO C=CCCC(C)(C)CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000632949921 401641065 /nfs/dbraw/zinc/64/10/65/401641065.db2.gz HAJSGGCNWGGYMC-CQSZACIVSA-N 1 0 316.449 3.012 10 30 DGEERO C=C1CC(C)(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)C1 ZINC000632528321 401612979 /nfs/dbraw/zinc/61/29/79/401612979.db2.gz VLFCZNQADXAPFU-UHFFFAOYSA-N 1 0 313.445 3.123 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000624037702 401616959 /nfs/dbraw/zinc/61/69/59/401616959.db2.gz DKIRMMMOXWKUSD-CQSZACIVSA-N 1 0 324.490 3.190 10 30 DGEERO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000632701595 401620346 /nfs/dbraw/zinc/62/03/46/401620346.db2.gz LTHZCNIKSFJLSW-RDJZCZTQSA-N 1 0 300.446 3.459 10 30 DGEERO C=CC(C)(C)CCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000624459752 401662497 /nfs/dbraw/zinc/66/24/97/401662497.db2.gz HQEMWKDCTKJWKN-MRXNPFEDSA-N 1 0 307.482 3.010 10 30 DGEERO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1COc2ccccc21 ZINC000185545331 165008156 /nfs/dbraw/zinc/00/81/56/165008156.db2.gz YYIROYKNPLUVDT-KDOFPFPSSA-N 1 0 308.381 3.091 10 30 DGEERO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@@H]1COc2ccccc21 ZINC000185604319 165009977 /nfs/dbraw/zinc/00/99/77/165009977.db2.gz QEQHYPLNYDLMDJ-BEFAXECRSA-N 1 0 322.408 3.481 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185623067 165010222 /nfs/dbraw/zinc/01/02/22/165010222.db2.gz QXOFFUIWUHORDM-GUYCJALGSA-N 1 0 308.381 3.221 10 30 DGEERO N#Cc1ccccc1Cn1cccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188569880 165129265 /nfs/dbraw/zinc/12/92/65/165129265.db2.gz BBJOWDBYACRKGX-VAMGGRTRSA-N 1 0 321.424 3.065 10 30 DGEERO Cn1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)c(-c2ccc(C#N)cc2)n1 ZINC000189714474 165174686 /nfs/dbraw/zinc/17/46/86/165174686.db2.gz JZUWWGBOYSIBEN-QGZVFWFLSA-N 1 0 324.428 3.006 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(Cl)c2)CC1 ZINC000171698475 432161945 /nfs/dbraw/zinc/16/19/45/432161945.db2.gz IHVDQVWZMGRPLV-CYBMUJFWSA-N 1 0 321.852 3.351 10 30 DGEERO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000247024482 432191989 /nfs/dbraw/zinc/19/19/89/432191989.db2.gz YCXIPXNVGIWSPU-BZSNNMDCSA-N 1 0 307.409 3.041 10 30 DGEERO C=CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000150881744 432197983 /nfs/dbraw/zinc/19/79/83/432197983.db2.gz CUZFTRAPIHHXLS-CQSZACIVSA-N 1 0 320.399 3.466 10 30 DGEERO N#CCCCC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000096981960 226879168 /nfs/dbraw/zinc/87/91/68/226879168.db2.gz UBCHWXMXOYWHKN-UHFFFAOYSA-N 1 0 321.852 3.030 10 30 DGEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000122114382 226972543 /nfs/dbraw/zinc/97/25/43/226972543.db2.gz QOBGQJUTEKSSEC-DOTOQJQBSA-N 1 0 313.376 3.255 10 30 DGEERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000159999045 228244564 /nfs/dbraw/zinc/24/45/64/228244564.db2.gz JJOCYDIQUZHOEL-GOSISDBHSA-N 1 0 311.404 3.365 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000173572565 228282663 /nfs/dbraw/zinc/28/26/63/228282663.db2.gz QDMGVMPYHTYGQZ-MNEFBYGVSA-N 1 0 324.428 3.447 10 30 DGEERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000183681780 228375326 /nfs/dbraw/zinc/37/53/26/228375326.db2.gz VGVFARIKPORTEI-ZBFHGGJFSA-N 1 0 307.401 3.275 10 30 DGEERO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC000185794565 228396851 /nfs/dbraw/zinc/39/68/51/228396851.db2.gz KYWCFXDPBPDPCF-SJORKVTESA-N 1 0 311.429 3.375 10 30 DGEERO [NH2+]=C(NCc1ncoc1-c1ccccc1)NC1CCCCCC1 ZINC000262001008 228641601 /nfs/dbraw/zinc/64/16/01/228641601.db2.gz PRLPMDUDNZYGCO-UHFFFAOYSA-N 1 0 312.417 3.469 10 30 DGEERO C[NH+](C)CC1CCC(NC(=O)C[C@@H]2CCCCNC2=O)CC1 ZINC000329564272 228949004 /nfs/dbraw/zinc/94/90/04/228949004.db2.gz SEWHWLVTXRHURC-SLTAFYQDSA-N 1 0 309.454 3.210 10 30 DGEERO C[C@@]1(CNc2cccc(C#N)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000302370938 230227195 /nfs/dbraw/zinc/22/71/95/230227195.db2.gz FDSCETCBCDKREM-IBGZPJMESA-N 1 0 306.413 3.420 10 30 DGEERO CCN(Cc1ccc(C#N)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184801701 266137025 /nfs/dbraw/zinc/13/70/25/266137025.db2.gz VQTYXLQGDCEVLE-KRWDZBQOSA-N 1 0 309.413 3.248 10 30 DGEERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358555419 267156243 /nfs/dbraw/zinc/15/62/43/267156243.db2.gz KYGNYSGTEYSUEM-RBSFLKMASA-N 1 0 303.425 3.468 10 30 DGEERO Cc1cc(C#N)nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000376458473 267317799 /nfs/dbraw/zinc/31/77/99/267317799.db2.gz BFOHOLOTBPWLQF-RDJZCZTQSA-N 1 0 321.428 3.122 10 30 DGEERO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC#Cc1ccccc1 ZINC000191919156 274275908 /nfs/dbraw/zinc/27/59/08/274275908.db2.gz MJPIJHLMWQDJQG-KRWDZBQOSA-N 1 0 316.408 3.312 10 30 DGEERO C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1 ZINC000329666622 278252744 /nfs/dbraw/zinc/25/27/44/278252744.db2.gz KZYPUVDDJSVGGQ-HANOVZDXSA-N 1 0 306.450 3.069 10 30 DGEERO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000187617820 278584272 /nfs/dbraw/zinc/58/42/72/278584272.db2.gz YAHAKYGWAYKBDC-AWEZNQCLSA-N 1 0 314.433 3.253 10 30 DGEERO N#CCSCCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000074991029 431448845 /nfs/dbraw/zinc/44/88/45/431448845.db2.gz XCXDAPNHWJCQGU-UHFFFAOYSA-N 1 0 308.422 3.316 10 30 DGEERO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116288788 431500601 /nfs/dbraw/zinc/50/06/01/431500601.db2.gz XYKUSMQIHWGPRO-MRXNPFEDSA-N 1 0 309.369 3.317 10 30 DGEERO Cc1cccc(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)n1 ZINC000116924458 431538579 /nfs/dbraw/zinc/53/85/79/431538579.db2.gz DRTSPFSTRKTWMT-UHFFFAOYSA-N 1 0 306.413 3.020 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000119282481 431670654 /nfs/dbraw/zinc/67/06/54/431670654.db2.gz VGTQDXGHBMKMLA-ZWKOTPCHSA-N 1 0 304.478 3.360 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000119282223 431671792 /nfs/dbraw/zinc/67/17/92/431671792.db2.gz VGTQDXGHBMKMLA-QZTJIDSGSA-N 1 0 304.478 3.360 10 30 DGEERO N#Cc1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)ccc1F ZINC000119533237 431704854 /nfs/dbraw/zinc/70/48/54/431704854.db2.gz LPVHSMUFVTVKGQ-OAHLLOKOSA-N 1 0 310.376 3.026 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1nc2c(cccc2OC)s1 ZINC000121090007 431744076 /nfs/dbraw/zinc/74/40/76/431744076.db2.gz RZVUHQXKGDFNQJ-UHFFFAOYSA-N 1 0 319.430 3.141 10 30 DGEERO C=CCC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000121396515 431779932 /nfs/dbraw/zinc/77/99/32/431779932.db2.gz LIYHSUVUBWOOIS-LJQANCHMSA-N 1 0 319.537 3.271 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCC([NH3+])CC1 ZINC000037800168 431850478 /nfs/dbraw/zinc/85/04/78/431850478.db2.gz LYTCHVDOCSCSBB-UHFFFAOYSA-N 1 0 312.866 3.434 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]Cc3cccc4cccnc43)n2c1 ZINC000123502394 431866640 /nfs/dbraw/zinc/86/66/40/431866640.db2.gz FTRVIYZTKVWRJQ-UHFFFAOYSA-N 1 0 313.364 3.044 10 30 DGEERO CC[C@H](NCc1cnc2ccc(C#N)cn12)c1nc(C)cs1 ZINC000123662612 431871635 /nfs/dbraw/zinc/87/16/35/431871635.db2.gz WWDNNRIALRCYON-AWEZNQCLSA-N 1 0 311.414 3.212 10 30 DGEERO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc2c(c1)OCCO2 ZINC000093492130 431915294 /nfs/dbraw/zinc/91/52/94/431915294.db2.gz QWDUUHYZKNYXIG-NSHDSACASA-N 1 0 300.383 3.242 10 30 DGEERO C=CCOc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596928 431916338 /nfs/dbraw/zinc/91/63/38/431916338.db2.gz XKYLDWIGGVKUIL-SFHVURJKSA-N 1 0 300.446 3.169 10 30 DGEERO CC[C@@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[NH+](C)C ZINC000091101573 431903201 /nfs/dbraw/zinc/90/32/01/431903201.db2.gz NNBFIGRRWIVNQJ-IBGZPJMESA-N 1 0 321.424 3.182 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000127710493 431979476 /nfs/dbraw/zinc/97/94/76/431979476.db2.gz AQVNARMFWRGDKT-IAGOWNOFSA-N 1 0 310.401 3.037 10 30 DGEERO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000057869589 431993497 /nfs/dbraw/zinc/99/34/97/431993497.db2.gz DKAGDJFPLVILDJ-INIZCTEOSA-N 1 0 319.424 3.008 10 30 DGEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C#N)s1)CC2 ZINC000183319512 432281473 /nfs/dbraw/zinc/28/14/73/432281473.db2.gz HFRFVPDVWWDZID-VXGBXAGGSA-N 1 0 315.446 3.000 10 30 DGEERO CC1(C)CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000102950617 432000802 /nfs/dbraw/zinc/00/08/02/432000802.db2.gz QZLKVBUYHVZICC-UHFFFAOYSA-N 1 0 319.836 3.461 10 30 DGEERO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248906861 432329675 /nfs/dbraw/zinc/32/96/75/432329675.db2.gz WUZYAUDNSXQOIR-GDBMZVCRSA-N 1 0 315.442 3.046 10 30 DGEERO C(#Cc1ccccc1)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000192134549 432335501 /nfs/dbraw/zinc/33/55/01/432335501.db2.gz YDOTZKIUXLOLKY-QZTJIDSGSA-N 1 0 301.455 3.025 10 30 DGEERO OC[C@@H](C1CC1)[N@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000192129643 432335627 /nfs/dbraw/zinc/33/56/27/432335627.db2.gz ZQGIPTDMNJYUAY-NRFANRHFSA-N 1 0 305.421 3.311 10 30 DGEERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)cc1C ZINC000249146247 432340901 /nfs/dbraw/zinc/34/09/01/432340901.db2.gz UDRGYVRDUXZGDJ-NXHRZFHOSA-N 1 0 312.413 3.173 10 30 DGEERO O=C(Nc1ccccc1)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191893399 432311243 /nfs/dbraw/zinc/31/12/43/432311243.db2.gz CTMJSAVSEJLGRL-UHFFFAOYSA-N 1 0 318.420 3.389 10 30 DGEERO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccnn2C)cc1 ZINC000152215055 432315395 /nfs/dbraw/zinc/31/53/95/432315395.db2.gz QMAFNVBOBHXKEZ-CYBMUJFWSA-N 1 0 305.809 3.402 10 30 DGEERO CC[C@@H]1CN(Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000184761232 432430284 /nfs/dbraw/zinc/43/02/84/432430284.db2.gz KXVYUNKVRZPVQU-QGZVFWFLSA-N 1 0 309.413 3.248 10 30 DGEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000193113181 432450364 /nfs/dbraw/zinc/45/03/64/432450364.db2.gz CTBPHKPHTSBESP-IINYFYTJSA-N 1 0 313.854 3.107 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000185009976 432456072 /nfs/dbraw/zinc/45/60/72/432456072.db2.gz YGJYIMWPEDJWKZ-INIZCTEOSA-N 1 0 315.461 3.369 10 30 DGEERO N#Cc1ccc(OCC[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000193299722 432462541 /nfs/dbraw/zinc/46/25/41/432462541.db2.gz CTCHDRKWHSJFFR-UHFFFAOYSA-N 1 0 322.408 3.094 10 30 DGEERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(CC#N)cc1 ZINC000185994519 432551673 /nfs/dbraw/zinc/55/16/73/432551673.db2.gz AMNIGBVNRGDAQA-OAHLLOKOSA-N 1 0 314.433 3.139 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000186067510 432555513 /nfs/dbraw/zinc/55/55/13/432555513.db2.gz ZNNHHAPXAPVZDG-JZXOWHBKSA-N 1 0 300.446 3.225 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)/C(C)=C/c2ccc(F)cc2)CC1 ZINC000176523542 432530685 /nfs/dbraw/zinc/53/06/85/432530685.db2.gz UOXKGEWDYAWDEE-NTCAYCPXSA-N 1 0 316.420 3.386 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000185863660 432540304 /nfs/dbraw/zinc/54/03/04/432540304.db2.gz NPAOBQPIOIHSLO-HNNXBMFYSA-N 1 0 304.434 3.476 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(Br)cc1SC ZINC000273510538 432607395 /nfs/dbraw/zinc/60/73/95/432607395.db2.gz QTQXEPIKQXGFGQ-LBPRGKRZSA-N 1 0 316.264 3.198 10 30 DGEERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)no1 ZINC000186204196 432568304 /nfs/dbraw/zinc/56/83/04/432568304.db2.gz VCIVTIURZLYWAU-MRXNPFEDSA-N 1 0 310.401 3.013 10 30 DGEERO COc1ccsc1[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000186217907 432569992 /nfs/dbraw/zinc/56/99/92/432569992.db2.gz LISNTSITPNTWSC-GFCCVEGCSA-N 1 0 302.399 3.358 10 30 DGEERO FC(F)(F)c1ccc(C#CCN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000177177052 432594235 /nfs/dbraw/zinc/59/42/35/432594235.db2.gz ISBSMWOEZCKXIA-UHFFFAOYSA-N 1 0 322.374 3.227 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000186707681 432624434 /nfs/dbraw/zinc/62/44/34/432624434.db2.gz GLVXDFAHIINSFH-RISCZKNCSA-N 1 0 303.431 3.101 10 30 DGEERO Cc1cc[n+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000160076780 432706594 /nfs/dbraw/zinc/70/65/94/432706594.db2.gz VTNLILYIEBLFKU-OAHLLOKOSA-N 1 0 305.760 3.053 10 30 DGEERO CN(Cc1cnc2ccc(C#N)cn12)Cc1ccc(Cl)cc1 ZINC000160808044 432742129 /nfs/dbraw/zinc/74/21/29/432742129.db2.gz ONJBJHIPTWEIBF-UHFFFAOYSA-N 1 0 310.788 3.491 10 30 DGEERO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000179013560 432796439 /nfs/dbraw/zinc/79/64/39/432796439.db2.gz PJOFTVDUSMKQJX-ROUUACIJSA-N 1 0 320.396 3.125 10 30 DGEERO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245536398 432840193 /nfs/dbraw/zinc/84/01/93/432840193.db2.gz HXPJIAAJNGKBGO-MOPGFXCFSA-N 1 0 313.445 3.180 10 30 DGEERO C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000296309784 432894999 /nfs/dbraw/zinc/89/49/99/432894999.db2.gz OBZHFOHUGZUARS-KBPBESRZSA-N 1 0 318.383 3.288 10 30 DGEERO C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245676893 432854174 /nfs/dbraw/zinc/85/41/74/432854174.db2.gz UGNIPNKVMZPTHC-QZTJIDSGSA-N 1 0 313.445 3.039 10 30 DGEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(OCCCC#N)c1 ZINC000245719168 432858050 /nfs/dbraw/zinc/85/80/50/432858050.db2.gz HPIRVRHFFHETRI-WMZOPIPTSA-N 1 0 313.445 3.038 10 30 DGEERO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)c1C ZINC000330267025 432901356 /nfs/dbraw/zinc/90/13/56/432901356.db2.gz QFURUEORXBLTSE-JQFCIGGWSA-N 1 0 302.418 3.437 10 30 DGEERO C#Cc1ccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000297777892 433016297 /nfs/dbraw/zinc/01/62/97/433016297.db2.gz LXXZEBQYZCMHHS-UHFFFAOYSA-N 1 0 321.424 3.094 10 30 DGEERO C[C@H](NC(=O)[C@]1(C)CCCNC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330310796 289234848 /nfs/dbraw/zinc/23/48/48/289234848.db2.gz NNMHZTPOLRCRMO-PMUMKWKESA-N 1 0 321.465 3.353 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453335764 433098418 /nfs/dbraw/zinc/09/84/18/433098418.db2.gz FVBHELIRCCOTAS-OGWOLHLISA-N 1 0 311.429 3.471 10 30 DGEERO N#CC1CCC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000374204621 433180392 /nfs/dbraw/zinc/18/03/92/433180392.db2.gz KLSOAONEJRRASF-JCYILVPMSA-N 1 0 317.477 3.087 10 30 DGEERO C=CCCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000447968970 433336300 /nfs/dbraw/zinc/33/63/00/433336300.db2.gz TWLOGRWELDOWFG-QGZVFWFLSA-N 1 0 301.434 3.089 10 30 DGEERO C=CCCCNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000447972005 433339270 /nfs/dbraw/zinc/33/92/70/433339270.db2.gz OFQKITMNLDERLG-UHFFFAOYSA-N 1 0 303.450 3.294 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(C)c2)CC1 ZINC000454458000 433434252 /nfs/dbraw/zinc/43/42/52/433434252.db2.gz FDQUOSLGPXFYNT-INIZCTEOSA-N 1 0 315.461 3.396 10 30 DGEERO C=CCC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCC1 ZINC000454574868 433492924 /nfs/dbraw/zinc/49/29/24/433492924.db2.gz XMYSPTBZROTOLB-ALOPSCKCSA-N 1 0 319.493 3.437 10 30 DGEERO Cc1cc(C#N)cc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000342504353 433732606 /nfs/dbraw/zinc/73/26/06/433732606.db2.gz DFIVGHJEEAYFDR-MAUKXSAKSA-N 1 0 306.413 3.337 10 30 DGEERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)c1cccc(C#N)n1 ZINC000301871655 433769392 /nfs/dbraw/zinc/76/93/92/433769392.db2.gz WWLPKWCOJNLTNV-APWZRJJASA-N 1 0 320.440 3.300 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC12CCC2)C(C)C ZINC000435610533 433877005 /nfs/dbraw/zinc/87/70/05/433877005.db2.gz KHDONLOYOIPNQP-MRXNPFEDSA-N 1 0 305.466 3.023 10 30 DGEERO C=CCC[C@H](NC(=O)N1CCn2cc(C)nc2C1)c1ccccc1 ZINC000363702684 434121983 /nfs/dbraw/zinc/12/19/83/434121983.db2.gz SHHXIORFMPZLTK-KRWDZBQOSA-N 1 0 324.428 3.424 10 30 DGEERO C#CCCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000363725055 434128456 /nfs/dbraw/zinc/12/84/56/434128456.db2.gz PEJYYXYGURXRJL-XUVXKRRUSA-N 1 0 324.468 3.207 10 30 DGEERO N#Cc1ccncc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000378615717 434239584 /nfs/dbraw/zinc/23/95/84/434239584.db2.gz NDHWFALNVCOYDB-MOPGFXCFSA-N 1 0 318.424 3.197 10 30 DGEERO C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328614129 434287775 /nfs/dbraw/zinc/28/77/75/434287775.db2.gz VLWAZIDSHKUWRZ-QGPMSJSTSA-N 1 0 302.418 3.205 10 30 DGEERO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccco2)[C@@H]1c1cccnc1 ZINC000328634253 434292103 /nfs/dbraw/zinc/29/21/03/434292103.db2.gz TXCVZEBZEFVXTN-YJBOKZPZSA-N 1 0 313.401 3.257 10 30 DGEERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]1CCCCNC1=O ZINC000328755629 434308512 /nfs/dbraw/zinc/30/85/12/434308512.db2.gz FIXYYNVYKOEUBB-XUWVNRHRSA-N 1 0 323.481 3.456 10 30 DGEERO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830131 434317991 /nfs/dbraw/zinc/31/79/91/434317991.db2.gz KKNMMNLQXBIRAE-OIISXLGYSA-N 1 0 321.428 3.343 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295440810 434364156 /nfs/dbraw/zinc/36/41/56/434364156.db2.gz PLFWTNXSDNBFFP-NOZJJQNGSA-N 1 0 314.198 3.102 10 30 DGEERO COc1cc(C[NH+]2CCC(C3CCOCC3)CC2)ccc1C#N ZINC000367034830 434536393 /nfs/dbraw/zinc/53/63/93/434536393.db2.gz DRPUWJUBMHLOEL-UHFFFAOYSA-N 1 0 314.429 3.205 10 30 DGEERO C=CCC[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417920149 434547684 /nfs/dbraw/zinc/54/76/84/434547684.db2.gz ZUPKSJOSJUNRCE-KSZLIROESA-N 1 0 313.445 3.230 10 30 DGEERO C=C[C@H](CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000367903461 434562089 /nfs/dbraw/zinc/56/20/89/434562089.db2.gz KYTAKKQYKSIQKM-NEWSRXKRSA-N 1 0 312.457 3.337 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418346831 434632532 /nfs/dbraw/zinc/63/25/32/434632532.db2.gz HZEVFYSOWJDXHC-KRWDZBQOSA-N 1 0 303.450 3.417 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000424173423 434644572 /nfs/dbraw/zinc/64/45/72/434644572.db2.gz PVPYELVATMFGOV-TWMKSMIVSA-N 1 0 309.450 3.069 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000424174331 434646094 /nfs/dbraw/zinc/64/60/94/434646094.db2.gz RQSCGWLCNKNHBZ-FZMZJTMJSA-N 1 0 314.198 3.269 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000424179105 434646846 /nfs/dbraw/zinc/64/68/46/434646846.db2.gz XQWNIXQJPDYBOE-JSGCOSHPSA-N 1 0 301.308 3.266 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCC(=C)C)c1 ZINC000424178751 434647023 /nfs/dbraw/zinc/64/70/23/434647023.db2.gz WTVLUPWOGPGVIP-IRXDYDNUSA-N 1 0 317.429 3.331 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000424300489 434685883 /nfs/dbraw/zinc/68/58/83/434685883.db2.gz XXAVRLDCJQQBPP-OWLYRPNTSA-N 1 0 301.430 3.413 10 30 DGEERO C=CC[NH+]1CCC(Nc2ccc3c(Cl)cccc3n2)CC1 ZINC000443443338 434777475 /nfs/dbraw/zinc/77/74/75/434777475.db2.gz MUIZENQLDRERQU-UHFFFAOYSA-N 1 0 301.821 3.951 10 30 DGEERO C=CCN1CC[C@H]([N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992568 434852184 /nfs/dbraw/zinc/85/21/84/434852184.db2.gz VKGDZLFGCMWBBI-MSOLQXFVSA-N 1 0 310.441 3.043 10 30 DGEERO C=CCCCCC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000574100229 434951335 /nfs/dbraw/zinc/95/13/35/434951335.db2.gz OCCYLLOMIQRXKQ-KRWDZBQOSA-N 1 0 322.474 3.047 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000527806422 435015739 /nfs/dbraw/zinc/01/57/39/435015739.db2.gz KKKYTMUPYGYTJA-SFHVURJKSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1OC ZINC000527803089 435016330 /nfs/dbraw/zinc/01/63/30/435016330.db2.gz USVHWRKZYMVVKU-ZXTQRBJTSA-N 1 0 305.418 3.162 10 30 DGEERO C=CCN1CC[C@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773086 435029086 /nfs/dbraw/zinc/02/90/86/435029086.db2.gz GTGBLLFWTUCCIU-SJORKVTESA-N 1 0 316.420 3.181 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1 ZINC000466908313 435097064 /nfs/dbraw/zinc/09/70/64/435097064.db2.gz AXCLIMQSVAMLGB-LJQANCHMSA-N 1 0 311.425 3.253 10 30 DGEERO CC#CCCCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000493036893 435097078 /nfs/dbraw/zinc/09/70/78/435097078.db2.gz WZPPORFKPMERSR-HXUWFJFHSA-N 1 0 312.457 3.351 10 30 DGEERO C=CCCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000558638014 435101114 /nfs/dbraw/zinc/10/11/14/435101114.db2.gz DMDQWGFYJQZVME-HNNXBMFYSA-N 1 0 301.434 3.269 10 30 DGEERO COc1cc2c(cc1C[NH2+]CC1CCC(C#N)CC1)O[C@H](C)C2 ZINC000562515529 435260934 /nfs/dbraw/zinc/26/09/34/435260934.db2.gz AFUOXKJUJYSDEB-WLYUNCDWSA-N 1 0 314.429 3.438 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000568881229 435479822 /nfs/dbraw/zinc/47/98/22/435479822.db2.gz PWBVYUUCKAUHNF-AEFFLSMTSA-N 1 0 319.493 3.391 10 30 DGEERO C=CCN(CC1CCCCC1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000483937936 435533632 /nfs/dbraw/zinc/53/36/32/435533632.db2.gz HZDLBYUBXBDBSY-MRXNPFEDSA-N 1 0 309.498 3.495 10 30 DGEERO C=C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000517468768 435596071 /nfs/dbraw/zinc/59/60/71/435596071.db2.gz XPKUCIWHRBZIAD-LBPRGKRZSA-N 1 0 316.228 3.385 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000517588051 435601743 /nfs/dbraw/zinc/60/17/43/435601743.db2.gz GXZOLWIOKDFCKY-LBPRGKRZSA-N 1 0 310.191 3.222 10 30 DGEERO CCC(CC)(C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C(=O)OC ZINC000546166567 314294202 /nfs/dbraw/zinc/29/42/02/314294202.db2.gz LQXSLQMCDMWAAP-LBPRGKRZSA-N 1 0 306.381 3.327 10 30 DGEERO N#Cc1cnccc1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000547826205 314399545 /nfs/dbraw/zinc/39/95/45/314399545.db2.gz ZMZLPDQVXRWMIA-UHFFFAOYSA-N 1 0 320.440 3.363 10 30 DGEERO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ccncc2C#N)C1 ZINC000547826624 314399774 /nfs/dbraw/zinc/39/97/74/314399774.db2.gz PRXCASQUAXKETH-MRXNPFEDSA-N 1 0 320.440 3.219 10 30 DGEERO N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000577016530 316193290 /nfs/dbraw/zinc/19/32/90/316193290.db2.gz LTTYRUHYGZXNMY-CYBMUJFWSA-N 1 0 324.350 3.401 10 30 DGEERO COc1cccc(F)c1[C@@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC000179937935 323217634 /nfs/dbraw/zinc/21/76/34/323217634.db2.gz SMQCEAZUKREHPK-CYBMUJFWSA-N 1 0 314.360 3.436 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182286954 323291130 /nfs/dbraw/zinc/29/11/30/323291130.db2.gz MWPRXQNSUHDGGX-LBPRGKRZSA-N 1 0 310.353 3.146 10 30 DGEERO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000182304223 323291770 /nfs/dbraw/zinc/29/17/70/323291770.db2.gz XXHQFJLQLDPDAS-ZDUSSCGKSA-N 1 0 310.353 3.017 10 30 DGEERO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000560406626 332337638 /nfs/dbraw/zinc/33/76/38/332337638.db2.gz GXGLQUUOXNMNKH-CQSZACIVSA-N 1 0 324.428 3.302 10 30 DGEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000101583038 334331960 /nfs/dbraw/zinc/33/19/60/334331960.db2.gz IRGRKKOIDODMDR-CVEARBPZSA-N 1 0 318.461 3.453 10 30 DGEERO C=C(Cl)CNC(=[NH+]C)N1CC=C(c2cccc(OC)c2)CC1 ZINC000261627790 337606703 /nfs/dbraw/zinc/60/67/03/337606703.db2.gz BZPPFUMGACSKSD-UHFFFAOYSA-N 1 0 319.836 3.112 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000424166603 337789697 /nfs/dbraw/zinc/78/96/97/337789697.db2.gz CTXSYEKGBZPYRI-RDJZCZTQSA-N 1 0 303.450 3.149 10 30 DGEERO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092755178 337907893 /nfs/dbraw/zinc/90/78/93/337907893.db2.gz VTNUWWXLLNCMER-HNNXBMFYSA-N 1 0 307.482 3.189 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)cc1 ZINC000499252333 340033368 /nfs/dbraw/zinc/03/33/68/340033368.db2.gz FZNHNMUDVJZNJB-MJGOQNOKSA-N 1 0 317.429 3.463 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000505023574 340159186 /nfs/dbraw/zinc/15/91/86/340159186.db2.gz NFDUXKVMEVPCRN-HNNXBMFYSA-N 1 0 301.434 3.221 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000185009997 340497285 /nfs/dbraw/zinc/49/72/85/340497285.db2.gz YGJYIMWPEDJWKZ-MRXNPFEDSA-N 1 0 315.461 3.369 10 30 DGEERO C=CCCC[NH+]1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000190356802 340544490 /nfs/dbraw/zinc/54/44/90/340544490.db2.gz WXAAJAPOTCTZCW-UHFFFAOYSA-N 1 0 310.482 3.081 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000541384776 340969190 /nfs/dbraw/zinc/96/91/90/340969190.db2.gz ZINZILSMAHSABN-LJQANCHMSA-N 1 0 311.425 3.335 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000076971110 341216460 /nfs/dbraw/zinc/21/64/60/341216460.db2.gz VSYUMYLJWDWIIJ-QGZVFWFLSA-N 1 0 303.450 3.205 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552268479 341382478 /nfs/dbraw/zinc/38/24/78/341382478.db2.gz KVMFBCVMPYSRLS-KZNAEPCWSA-N 1 0 300.446 3.214 10 30 DGEERO C=CC[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000249599532 341399797 /nfs/dbraw/zinc/39/97/97/341399797.db2.gz XULBDEHEXCZFMA-FUHWJXTLSA-N 1 0 300.446 3.337 10 30 DGEERO C=CC[C@H](C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488921567 534334490 /nfs/dbraw/zinc/33/44/90/534334490.db2.gz ROIBBPSMBPSZQB-QFBILLFUSA-N 1 0 315.461 3.305 10 30 DGEERO C=C(CC)CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459078268 534407724 /nfs/dbraw/zinc/40/77/24/534407724.db2.gz NXYJXZRGKMTGGE-KRWDZBQOSA-N 1 0 307.482 3.250 10 30 DGEERO C=CCC(C)(C)CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000458816042 534545938 /nfs/dbraw/zinc/54/59/38/534545938.db2.gz ZTIIXECYDZXLNZ-INIZCTEOSA-N 1 0 307.482 3.249 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CCCC1 ZINC000459055318 534598399 /nfs/dbraw/zinc/59/83/99/534598399.db2.gz UYQLXNFDQZFTEX-DLBZAZTESA-N 1 0 321.509 3.495 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368559085 526334634 /nfs/dbraw/zinc/33/46/34/526334634.db2.gz YFXVIIBWJFODPM-DGCLKSJQSA-N 1 0 312.866 3.304 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cc(C)ccc2C)CC1 ZINC000428592670 526424287 /nfs/dbraw/zinc/42/42/87/526424287.db2.gz TYWAAOQJFWLWAX-UHFFFAOYSA-N 1 0 315.461 3.095 10 30 DGEERO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)CC1CCCC1 ZINC000352814775 526559104 /nfs/dbraw/zinc/55/91/04/526559104.db2.gz JOFJMCTYNDQZKW-INIZCTEOSA-N 1 0 307.434 3.091 10 30 DGEERO N#Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000160180948 526609044 /nfs/dbraw/zinc/60/90/44/526609044.db2.gz VRSZXBLFVZLVJA-MRXNPFEDSA-N 1 0 312.369 3.038 10 30 DGEERO C=CCOc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000341051557 526845376 /nfs/dbraw/zinc/84/53/76/526845376.db2.gz FCHPUUTXDAGOHG-IYBDPMFKSA-N 1 0 316.445 3.244 10 30 DGEERO C=CCOc1ccc(C[N@@H+](C[C@@H](C)C(=O)OC)C2CC2)cc1 ZINC000357217643 526862731 /nfs/dbraw/zinc/86/27/31/526862731.db2.gz VFEVRVVEAMCWGH-CQSZACIVSA-N 1 0 303.402 3.025 10 30 DGEERO C=CCOc1ccc(CN(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000349317743 526863242 /nfs/dbraw/zinc/86/32/42/526863242.db2.gz PYRQFHIWJOQKHC-UHFFFAOYSA-N 1 0 314.429 3.408 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)cc1 ZINC000353892009 526889915 /nfs/dbraw/zinc/88/99/15/526889915.db2.gz YZTCSZVECVCURQ-QYZOEREBSA-N 1 0 317.429 3.068 10 30 DGEERO C=CCOc1cccc(C[NH2+]C2(CC(=O)OC)CCCC2)c1 ZINC000338960573 526901699 /nfs/dbraw/zinc/90/16/99/526901699.db2.gz COFKEKJMOKUJRR-UHFFFAOYSA-N 1 0 303.402 3.217 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000355164545 526931528 /nfs/dbraw/zinc/93/15/28/526931528.db2.gz ODJOBRIGIKROPY-MRXNPFEDSA-N 1 0 312.417 3.058 10 30 DGEERO C=CCOc1ccccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000354008096 526932409 /nfs/dbraw/zinc/93/24/09/526932409.db2.gz BIXNYBGJBFXOJM-GOSISDBHSA-N 1 0 317.429 3.021 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000290176386 527104105 /nfs/dbraw/zinc/10/41/05/527104105.db2.gz RKLUOUMSBRNVTC-MFKMUULPSA-N 1 0 316.214 3.046 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000343532584 527141939 /nfs/dbraw/zinc/14/19/39/527141939.db2.gz IFJPIRFUDGQAJA-OVWQWFNUSA-N 1 0 300.446 3.366 10 30 DGEERO C=CCCC[N@@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000341888320 527191527 /nfs/dbraw/zinc/19/15/27/527191527.db2.gz IUZZOTPJXYIJRT-IBGZPJMESA-N 1 0 302.462 3.176 10 30 DGEERO C=CCCCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000448392505 527217388 /nfs/dbraw/zinc/21/73/88/527217388.db2.gz YXICLAKCEWHVPP-QGZVFWFLSA-N 1 0 307.482 3.106 10 30 DGEERO C=CCC[C@H](CCC)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184948139 527468373 /nfs/dbraw/zinc/46/83/73/527468373.db2.gz WNOSQQCOZRBPRH-INIZCTEOSA-N 1 0 321.440 3.282 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000424178494 527497490 /nfs/dbraw/zinc/49/74/90/527497490.db2.gz WIUDACMFKOMFER-HOCLYGCPSA-N 1 0 300.427 3.491 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000424293109 527499093 /nfs/dbraw/zinc/49/90/93/527499093.db2.gz IAKLUHAGXCADKU-BPUTZDHNSA-N 1 0 303.402 3.090 10 30 DGEERO CCCCCCCC[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174882552 528128266 /nfs/dbraw/zinc/12/82/66/528128266.db2.gz FVBGOOLPVHSCBJ-IBGZPJMESA-N 1 0 309.542 3.449 10 30 DGEERO CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299993425 546435078 /nfs/dbraw/zinc/43/50/78/546435078.db2.gz XZUATLFVBIFMDR-QLFBSQMISA-N 1 0 309.454 3.304 10 30 DGEERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000328921764 546482140 /nfs/dbraw/zinc/48/21/40/546482140.db2.gz BRAGGGGURCRAOP-VDHUWJSZSA-N 1 0 311.429 3.403 10 30 DGEERO Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000329195620 546483746 /nfs/dbraw/zinc/48/37/46/546483746.db2.gz VLFHJDGPXDVEFU-CABCVRRESA-N 1 0 304.438 3.034 10 30 DGEERO Cc1c(Br)cccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426486 547031799 /nfs/dbraw/zinc/03/17/99/547031799.db2.gz DDMPNZIHFBMVSM-LBPRGKRZSA-N 1 0 324.222 3.107 10 30 DGEERO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCCO1 ZINC000735308322 574696567 /nfs/dbraw/zinc/69/65/67/574696567.db2.gz HEPJDFVTZOBBFO-OAHLLOKOSA-N 1 0 308.809 3.243 10 30 DGEERO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735310964 574697013 /nfs/dbraw/zinc/69/70/13/574697013.db2.gz JILXUBWGQXKMHH-HOTGVXAUSA-N 1 0 322.836 3.368 10 30 DGEERO COC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311820 574697179 /nfs/dbraw/zinc/69/71/79/574697179.db2.gz WGJZBUDQNYQZGD-ZDUSSCGKSA-N 1 0 308.809 3.101 10 30 DGEERO C=CCCC(=O)OC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000735902268 574721555 /nfs/dbraw/zinc/72/15/55/574721555.db2.gz DHKHRWYYYFAOHK-CRAIPNDOSA-N 1 0 303.402 3.197 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@](C)(O)c1cc(C)oc1C ZINC000742374187 574993457 /nfs/dbraw/zinc/99/34/57/574993457.db2.gz LRQFJLYOPGTDJP-LJQANCHMSA-N 1 0 315.413 3.459 10 30 DGEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1(c2cccc(C)c2)CCC1 ZINC000729808426 575263352 /nfs/dbraw/zinc/26/33/52/575263352.db2.gz BNOYFVYOYMGZCN-GOSISDBHSA-N 1 0 311.425 3.058 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)c1cccc(OC)c1 ZINC000121303901 619045074 /nfs/dbraw/zinc/04/50/74/619045074.db2.gz HCOADECFKRULHH-JKSUJKDBSA-N 1 0 317.429 3.076 10 30 DGEERO C#CCSCC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000152940476 620529370 /nfs/dbraw/zinc/52/93/70/620529370.db2.gz ZHJRMDDSVXKBDM-UHFFFAOYSA-N 1 0 303.349 3.084 10 30 DGEERO C#CCOc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000113320978 620904291 /nfs/dbraw/zinc/90/42/91/620904291.db2.gz BYAUVZDICYRXKI-LJQANCHMSA-N 1 0 320.436 3.315 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)c1ccccc1F ZINC000121355892 621317076 /nfs/dbraw/zinc/31/70/76/621317076.db2.gz AKSZCXGINULFHU-HUUCEWRRSA-N 1 0 305.393 3.206 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1csc(C(C)C)n1 ZINC000121717051 622174706 /nfs/dbraw/zinc/17/47/06/622174706.db2.gz KKJXKULTMQCLTC-CYBMUJFWSA-N 1 0 308.447 3.157 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@H](C)F ZINC000702624027 660731797 /nfs/dbraw/zinc/73/17/97/660731797.db2.gz RJRZMWNMVRTZFL-NSHDSACASA-N 1 0 314.198 3.299 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711366878 660948944 /nfs/dbraw/zinc/94/89/44/660948944.db2.gz JHNPLFYZVHVBQA-LBPRGKRZSA-N 1 0 312.866 3.162 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)cc1 ZINC000179045913 655843841 /nfs/dbraw/zinc/84/38/41/655843841.db2.gz MOKJLLXSMDYYBW-RTWAWAEBSA-N 1 0 320.436 3.234 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Cl)nc1 ZINC000181156548 655974047 /nfs/dbraw/zinc/97/40/47/655974047.db2.gz KDLQQBNOQCERCY-GFCCVEGCSA-N 1 0 301.777 3.336 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccnc2ccccc21 ZINC000162667410 656184897 /nfs/dbraw/zinc/18/48/97/656184897.db2.gz JZAMLFCERJHWSP-OAHLLOKOSA-N 1 0 310.397 3.125 10 30 DGEERO CC[NH+]=C(NCC1CC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261996302 657276039 /nfs/dbraw/zinc/27/60/39/657276039.db2.gz SMIZNFQZXCNVKJ-OAHLLOKOSA-N 1 0 301.434 3.254 10 30 DGEERO CCN(CC)C(=[NH2+])NCc1ccccc1OCc1ccccc1 ZINC000303878683 657569405 /nfs/dbraw/zinc/56/94/05/657569405.db2.gz JEFWFLAQURUBMU-UHFFFAOYSA-N 1 0 311.429 3.422 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2nc(-c3ccccc3)c[nH]2)c1 ZINC000303884428 657571290 /nfs/dbraw/zinc/57/12/90/657571290.db2.gz MSZWVRBXUZTCMN-UHFFFAOYSA-N 1 0 305.385 3.312 10 30 DGEERO Cc1ccc(OCCCCNC(=[NH2+])NC2CCCCC2)cc1 ZINC000303900797 657577442 /nfs/dbraw/zinc/57/74/42/657577442.db2.gz SIJICOJTZQTYBO-UHFFFAOYSA-N 1 0 303.450 3.391 10 30 DGEERO [NH2+]=C(NCc1ccccc1OCC1CC1)NC1CCCCC1 ZINC000304531027 657638129 /nfs/dbraw/zinc/63/81/29/657638129.db2.gz NGTGCFCODSUCOZ-UHFFFAOYSA-N 1 0 301.434 3.212 10 30 DGEERO CCc1ccc(NC(=[NH2+])NCCOc2ccc(F)cc2F)cc1 ZINC000304704690 657644264 /nfs/dbraw/zinc/64/42/64/657644264.db2.gz KJAXBPNUQGHIIF-UHFFFAOYSA-N 1 0 319.355 3.333 10 30 DGEERO C[C@H](CNC(=[NH2+])NCCc1cccs1)c1ccc(F)cc1F ZINC000304743816 657646379 /nfs/dbraw/zinc/64/63/79/657646379.db2.gz DILVWLMVGRCBAN-LLVKDONJSA-N 1 0 323.412 3.277 10 30 DGEERO CCOc1ccc(CNC(=[NH2+])Nc2cccc(C)c2)cc1F ZINC000304750706 657647620 /nfs/dbraw/zinc/64/76/20/657647620.db2.gz IPFRGCFHJJLDFA-UHFFFAOYSA-N 1 0 301.365 3.460 10 30 DGEERO Cc1ccc(SC2(CNC(=[NH2+])NC3CC3)CCCC2)cc1 ZINC000304797726 657651483 /nfs/dbraw/zinc/65/14/83/657651483.db2.gz WYNFUJGCAIPZFS-UHFFFAOYSA-N 1 0 303.475 3.467 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](C[C@H](C)O)c2ccccc2)c1 ZINC000305001460 657664482 /nfs/dbraw/zinc/66/44/82/657664482.db2.gz BFZTVVWZQRQUBT-RDJZCZTQSA-N 1 0 311.429 3.276 10 30 DGEERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000253354693 657675775 /nfs/dbraw/zinc/67/57/75/657675775.db2.gz HXZUSLHBYYZWLT-WCVJEAGWSA-N 1 0 321.465 3.304 10 30 DGEERO [NH2+]=C(Nc1cccc2c1CCCC2)N[C@H]1COc2ccccc21 ZINC000262618846 657824092 /nfs/dbraw/zinc/82/40/92/657824092.db2.gz CETINGHCQLVQON-KRWDZBQOSA-N 1 0 307.397 3.426 10 30 DGEERO COc1ccc2c(c1)CCC[C@@H]2CNC(=[NH2+])NC1CCCCC1 ZINC000305794548 658047040 /nfs/dbraw/zinc/04/70/40/658047040.db2.gz UTFZPDLVZLSZOE-OAHLLOKOSA-N 1 0 315.461 3.352 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccc(C)nc2N2CCCC2)c1 ZINC000305817113 658063765 /nfs/dbraw/zinc/06/37/65/658063765.db2.gz MTEJTDRHWFNISL-UHFFFAOYSA-N 1 0 323.444 3.225 10 30 DGEERO CC1(C)[C@H]([NH2+]Cc2cncc(C#N)c2)C[C@@H]1OCc1ccccc1 ZINC000721599084 658741088 /nfs/dbraw/zinc/74/10/88/658741088.db2.gz YFLNWMVKJHJEHQ-MOPGFXCFSA-N 1 0 321.424 3.427 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000169147625 659159753 /nfs/dbraw/zinc/15/97/53/659159753.db2.gz YUCYHLFDLMMMPF-KXBFYZLASA-N 1 0 307.393 3.353 10 30 DGEERO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000188776994 659295961 /nfs/dbraw/zinc/29/59/61/659295961.db2.gz VDWBZGFHSZLLFZ-KGLIPLIRSA-N 1 0 311.385 3.404 10 30 DGEERO COc1ccccc1/C=C/C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000171769211 659297831 /nfs/dbraw/zinc/29/78/31/659297831.db2.gz RVGYAFMFWAFEDA-GQCTYLIASA-N 1 0 308.381 3.401 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)C[C@H](C)c1c(C)noc1C ZINC000155860616 661853835 /nfs/dbraw/zinc/85/38/35/661853835.db2.gz QZKMXUOVPNIANO-KBPBESRZSA-N 1 0 320.433 3.062 10 30 DGEERO C[N@H+](CC#Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000191895487 662083281 /nfs/dbraw/zinc/08/32/81/662083281.db2.gz FYBGWSLQCZRRSO-UHFFFAOYSA-N 1 0 320.436 3.007 10 30 DGEERO [NH2+]=C(NCCOc1c(Cl)cc(Cl)cc1Cl)NC1CC1 ZINC000079382651 662108741 /nfs/dbraw/zinc/10/87/41/662108741.db2.gz KWHNKJHTBYTUOB-UHFFFAOYSA-N 1 0 322.623 3.092 10 30 DGEERO C#CC[C@@H](COC)[NH2+][C@H]1CCc2c1cccc2Br ZINC000716948716 685275924 /nfs/dbraw/zinc/27/59/24/685275924.db2.gz RCPNJOFBCIJBQX-NHYWBVRUSA-N 1 0 308.219 3.064 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cc(OC)c1O ZINC000304651923 1199669543 /nfs/dbraw/zinc/66/95/43/1199669543.db2.gz QQSOKAYYEZQQDW-PKOBYXMFSA-N 1 0 319.445 3.160 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)cc(OC)c1O ZINC000304651916 1199669597 /nfs/dbraw/zinc/66/95/97/1199669597.db2.gz QQSOKAYYEZQQDW-IEBWSBKVSA-N 1 0 319.445 3.160 10 30 DGEERO C[C@H]1[C@H]([NH2+]CC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000309801860 1199710532 /nfs/dbraw/zinc/71/05/32/1199710532.db2.gz KBWLXNNYKFWXRW-GHTZIAJQSA-N 1 0 304.437 3.291 10 30 DGEERO C=CCOc1cccc(C[NH2+]CCc2ccc(O)c(OC)c2)c1 ZINC000114770667 1199716584 /nfs/dbraw/zinc/71/65/84/1199716584.db2.gz GCYAZKIIPTUDDP-UHFFFAOYSA-N 1 0 313.397 3.298 10 30 DGEERO C=C(CC)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000313506330 1199768072 /nfs/dbraw/zinc/76/80/72/1199768072.db2.gz QWEXQDDPURMEDH-UHFFFAOYSA-N 1 0 312.207 3.276 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CO)c2ccccc2)cc1OC ZINC000116345882 1199796836 /nfs/dbraw/zinc/79/68/36/1199796836.db2.gz GTGDQMRKHSUZRZ-QGZVFWFLSA-N 1 0 313.397 3.083 10 30 DGEERO CC[NH+](CC)C[C@H](C)Nc1cc(Br)ccc1C#N ZINC000123226300 1200275836 /nfs/dbraw/zinc/27/58/36/1200275836.db2.gz QNWMRVGPZGESQV-NSHDSACASA-N 1 0 310.239 3.463 10 30 DGEERO CC[NH+]1CCC(CNc2cc(Br)ccc2C#N)CC1 ZINC000123210205 1200276177 /nfs/dbraw/zinc/27/61/77/1200276177.db2.gz HECPDQNQTBHQJY-UHFFFAOYSA-N 1 0 322.250 3.465 10 30 DGEERO CC[N@H+](CCNc1cc(Br)ccc1C#N)C1CC1 ZINC000218004706 1202539491 /nfs/dbraw/zinc/53/94/91/1202539491.db2.gz HCMATXSNXHWMBG-UHFFFAOYSA-N 1 0 308.223 3.217 10 30 DGEERO C=CCOc1ccc(C[NH2+]C2CCN(CC=C)CC2)cc1OC ZINC000237115253 1202647785 /nfs/dbraw/zinc/64/77/85/1202647785.db2.gz PMTULZGSTYLLTG-UHFFFAOYSA-N 1 0 316.445 3.000 10 30 DGEERO C=CCSCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000237820498 1202704389 /nfs/dbraw/zinc/70/43/89/1202704389.db2.gz WXGNJYDBJAGDEB-UHFFFAOYSA-N 1 0 318.345 3.205 10 30 DGEERO C=CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCC)C1)c1ccccc1 ZINC000275388781 1202843863 /nfs/dbraw/zinc/84/38/63/1202843863.db2.gz XKDGSMHEOUMMCI-FUHWJXTLSA-N 1 0 300.446 3.194 10 30 DGEERO N#Cc1ccc(Br)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253204375 1203820963 /nfs/dbraw/zinc/82/09/63/1203820963.db2.gz DUNBDBICLQWBST-KBPBESRZSA-N 1 0 320.234 3.359 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000176745353 1203943222 /nfs/dbraw/zinc/94/32/22/1203943222.db2.gz ILJHOOYKRQDQCW-UXHICEINSA-N 1 0 307.393 3.318 10 30 DGEERO CCOC(=O)c1c(C)[nH]c(C(=O)C[N+](C)(C)C2CCCC2)c1C ZINC000007760217 717105892 /nfs/dbraw/zinc/10/58/92/717105892.db2.gz XXGUKCSGXMBWKM-UHFFFAOYSA-O 1 0 321.441 3.010 10 30 DGEERO CCN(Cc1cccc(F)c1)C(=O)C[N+](C)(C)C1CCCC1 ZINC000073713107 717134657 /nfs/dbraw/zinc/13/46/57/717134657.db2.gz AUHDGRJZCAIVNJ-UHFFFAOYSA-N 1 0 307.433 3.193 10 30 DGEERO C[N+](C)(CCN1CCCCC1)C(=O)Nc1ccccc1Cl ZINC000096336372 717141410 /nfs/dbraw/zinc/14/14/10/717141410.db2.gz FJRUROAAGWDSDW-UHFFFAOYSA-O 1 0 310.849 3.448 10 30 DGEERO C[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000402219737 1093992233 /nfs/dbraw/zinc/99/22/33/1093992233.db2.gz QURUPCZVVYRRJP-CQSZACIVSA-N 1 0 306.818 3.439 10 30 DGEERO CCC[C@H](C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[NH+](C)C ZINC000092928811 185349626 /nfs/dbraw/zinc/34/96/26/185349626.db2.gz FQBSCSJSLBKQBH-OAHLLOKOSA-N 1 0 303.406 3.014 10 30 DGEERO N#Cc1cccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107723859 185490286 /nfs/dbraw/zinc/49/02/86/185490286.db2.gz SRRKNZDUBCMQPL-KRWDZBQOSA-N 1 0 312.417 3.040 10 30 DGEERO C=CCC[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccc(C)nn1 ZINC000072480467 191180994 /nfs/dbraw/zinc/18/09/94/191180994.db2.gz ZDIKFPWZHLDUND-FGTMMUONSA-N 1 0 313.445 3.397 10 30 DGEERO COc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)cc1C#N ZINC000179045993 432035350 /nfs/dbraw/zinc/03/53/50/432035350.db2.gz NLSCIEPMAGNTCK-ICSRJNTNSA-N 1 0 321.424 3.102 10 30 DGEERO N#CC1(CCC[N@H+]2CC[C@@H](O)c3ccccc3C2)CCOCC1 ZINC000369187965 283044685 /nfs/dbraw/zinc/04/46/85/283044685.db2.gz KROZJMLIUBRSIK-GOSISDBHSA-N 1 0 314.429 3.026 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179261419 432052694 /nfs/dbraw/zinc/05/26/94/432052694.db2.gz CNXZWJQYWFVOFF-IRXDYDNUSA-N 1 0 301.434 3.039 10 30 DGEERO CC(C)[C@H]([NH3+])CCN(C)c1cccc(Br)c1C#N ZINC000169105184 432070930 /nfs/dbraw/zinc/07/09/30/432070930.db2.gz IBIMEUCBCUHMAY-CYBMUJFWSA-N 1 0 310.239 3.130 10 30 DGEERO C[C@@H]1Cc2ccccc2N1/N=C/c1cc[n+](C)c2ccccc12 ZINC000006031636 181306978 /nfs/dbraw/zinc/30/69/78/181306978.db2.gz ODXWFQKMQCQBLG-OAHLLOKOSA-N 1 0 302.401 3.449 10 30 DGEERO N#CC1CCC(C[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000441388561 239047072 /nfs/dbraw/zinc/04/70/72/239047072.db2.gz SBHGYVRNOIFPLL-UHFFFAOYSA-N 1 0 308.223 3.264 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449237383 240083808 /nfs/dbraw/zinc/08/38/08/240083808.db2.gz NUOKNPADYOWMAI-WDEREUQCSA-N 1 0 304.217 3.287 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000449508748 240255434 /nfs/dbraw/zinc/25/54/34/240255434.db2.gz NNBADXDXRFLBGR-OALUTQOASA-N 1 0 301.430 3.138 10 30 DGEERO C=CCC[C@@H](O)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451146880 241021511 /nfs/dbraw/zinc/02/15/11/241021511.db2.gz MMLRRYKCDWMJCS-CYBMUJFWSA-N 1 0 315.335 3.491 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCC(n2cc(C(=O)OCC)cn2)CC1 ZINC000451209817 241049179 /nfs/dbraw/zinc/04/91/79/241049179.db2.gz IFOGGDMBNTWMAD-HNNXBMFYSA-N 1 0 319.449 3.442 10 30 DGEERO N#Cc1ccc2ncc(C[N@@H+]3CCCc4ccccc4C3)n2c1 ZINC000093085105 193202429 /nfs/dbraw/zinc/20/24/29/193202429.db2.gz PHMNQPBLPFMZLY-UHFFFAOYSA-N 1 0 302.381 3.154 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472320544 244298465 /nfs/dbraw/zinc/29/84/65/244298465.db2.gz ORUFMNBOOIKCMV-BEFAXECRSA-N 1 0 316.420 3.409 10 30 DGEERO C=CCN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000472781803 244315251 /nfs/dbraw/zinc/31/52/51/244315251.db2.gz BUFRYMIAYWPAFN-QGZVFWFLSA-N 1 0 317.433 3.457 10 30 DGEERO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1F ZINC000181358862 432125861 /nfs/dbraw/zinc/12/58/61/432125861.db2.gz ABMFGAYXVXJXGD-CYBMUJFWSA-N 1 0 311.360 3.295 10 30 DGEERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000266485998 205383419 /nfs/dbraw/zinc/38/34/19/205383419.db2.gz RJSJHYUHTFDRFB-JXFKEZNVSA-N 1 0 305.425 3.483 10 30 DGEERO Clc1cccc(C#CC[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000159980420 197378060 /nfs/dbraw/zinc/37/80/60/197378060.db2.gz SVFBXRCRYIMSSJ-UHFFFAOYSA-N 1 0 313.832 3.300 10 30 DGEERO C=CCc1cc(C[NH2+]CCN(CC)CC)cc(OC)c1OCC ZINC000022937267 182342628 /nfs/dbraw/zinc/34/26/28/182342628.db2.gz ZLWKNNZXPOTUOE-UHFFFAOYSA-N 1 0 320.477 3.254 10 30 DGEERO CC(C)N(CCC#N)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043021803 183329340 /nfs/dbraw/zinc/32/93/40/183329340.db2.gz AJEISTXYWCSVAO-AWEZNQCLSA-N 1 0 310.239 3.073 10 30 DGEERO CCN(C[C@H](C)C#N)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093242 183336037 /nfs/dbraw/zinc/33/60/37/183336037.db2.gz ZEOAZMLKYJCBMM-LALPHHSUSA-N 1 0 324.266 3.319 10 30 DGEERO C#CC[NH+]1CCC(C(=O)N[C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000156532468 197121313 /nfs/dbraw/zinc/12/13/13/197121313.db2.gz DYVLRECVDNXPET-IBGZPJMESA-N 1 0 324.468 3.162 10 30 DGEERO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccccc2C)c(C#N)c1C ZINC000120359405 195150802 /nfs/dbraw/zinc/15/08/02/195150802.db2.gz UGAWYFIAEWPNOE-ZDUSSCGKSA-N 1 0 311.385 3.366 10 30 DGEERO C=CCC[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccnc(C)n1 ZINC000072434690 256546099 /nfs/dbraw/zinc/54/60/99/256546099.db2.gz XIXRRUUFYFRKAC-FGTMMUONSA-N 1 0 313.445 3.397 10 30 DGEERO C[C@@H]([NH2+]CCCSCC#N)c1ccccc1-n1cccn1 ZINC000183174350 533387765 /nfs/dbraw/zinc/38/77/65/533387765.db2.gz WWVBROPMVCVYFP-CQSZACIVSA-N 1 0 300.431 3.170 10 30 DGEERO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc2ccccc2c1 ZINC000181510740 533370034 /nfs/dbraw/zinc/37/00/34/533370034.db2.gz ZBPXZEDERXDAGW-OAHLLOKOSA-N 1 0 309.413 3.253 10 30 DGEERO COc1cccc(/C=N/[C@@H](C)C[N@H+](C)Cc2ccccc2)c1O ZINC000183390569 533390141 /nfs/dbraw/zinc/39/01/41/533390141.db2.gz OAAPLJOVGLHOFI-SLDJAQPHSA-N 1 0 312.413 3.340 10 30 DGEERO c1coc(CCNC(=[NH+]C2CC2)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000262679114 285562290 /nfs/dbraw/zinc/56/22/90/285562290.db2.gz SDCYRKYTRLAPIU-GASCZTMLSA-N 1 0 301.434 3.052 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000595078343 400100745 /nfs/dbraw/zinc/10/07/45/400100745.db2.gz URWFNQMNRYVOGE-ZWKOTPCHSA-N 1 0 317.429 3.351 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(CC)CC)cc1 ZINC000092509708 400177714 /nfs/dbraw/zinc/17/77/14/400177714.db2.gz QPGYLQHHCSWRIU-SFHVURJKSA-N 1 0 316.445 3.084 10 30 DGEERO C=C(C)C[N@@H+]1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000307169702 400128674 /nfs/dbraw/zinc/12/86/74/400128674.db2.gz YULMWLQTFAJJNG-DTWKUNHWSA-N 1 0 309.045 3.000 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1-n1ccnn1 ZINC000586789915 400157610 /nfs/dbraw/zinc/15/76/10/400157610.db2.gz PIWGDXNMKFPOKR-CYBMUJFWSA-N 1 0 321.359 3.129 10 30 DGEERO Cn1ccnc1C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000610488885 400263067 /nfs/dbraw/zinc/26/30/67/400263067.db2.gz QULUWHLTXLKPEC-QGZVFWFLSA-N 1 0 322.437 3.427 10 30 DGEERO C=CC(C)(C)C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000384849370 400260617 /nfs/dbraw/zinc/26/06/17/400260617.db2.gz KWVMNCGBCSKLFG-UHFFFAOYSA-N 1 0 314.223 3.465 10 30 DGEERO C=CCCC[NH2+]Cc1ccc(C(=O)OC)cc1Br ZINC000385543248 400262458 /nfs/dbraw/zinc/26/24/58/400262458.db2.gz NDIALUJOIZXBQS-UHFFFAOYSA-N 1 0 312.207 3.292 10 30 DGEERO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN(CC#N)CC1 ZINC000611080867 400344202 /nfs/dbraw/zinc/34/42/02/400344202.db2.gz YILPZTZONVGXBH-WYMLVPIESA-N 1 0 303.837 3.321 10 30 DGEERO COC(=O)C(C)(C)[C@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000611463007 400404992 /nfs/dbraw/zinc/40/49/92/400404992.db2.gz YQXRHJULBSOSSB-OAHLLOKOSA-N 1 0 302.418 3.456 10 30 DGEERO C=CC[C@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000617782111 400453273 /nfs/dbraw/zinc/45/32/73/400453273.db2.gz YUTHVZRKSNRYOF-KRWDZBQOSA-N 1 0 312.457 3.250 10 30 DGEERO C=CC[C@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000617785155 400454182 /nfs/dbraw/zinc/45/41/82/400454182.db2.gz FGHGMYKZZMLWPI-INIZCTEOSA-N 1 0 316.445 3.055 10 30 DGEERO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1F ZINC000121566018 400456392 /nfs/dbraw/zinc/45/63/92/400456392.db2.gz ZWIKVRDBCUAAFQ-CYBMUJFWSA-N 1 0 314.360 3.436 10 30 DGEERO C=C(C)C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)OC ZINC000602734400 400556891 /nfs/dbraw/zinc/55/68/91/400556891.db2.gz NUACJNUEJJTVEX-JQHSSLGASA-N 1 0 322.493 3.127 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)ccc1OC ZINC000152340016 400679300 /nfs/dbraw/zinc/67/93/00/400679300.db2.gz HDDGDIXUFWZVLQ-IAGOWNOFSA-N 1 0 319.445 3.291 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000604652374 400792714 /nfs/dbraw/zinc/79/27/14/400792714.db2.gz JTHROJOUYORSLS-CVEARBPZSA-N 1 0 307.482 3.152 10 30 DGEERO N#Cc1c(Br)cccc1NCCC1CC[NH2+]CC1 ZINC000593232887 400797322 /nfs/dbraw/zinc/79/73/22/400797322.db2.gz GHJVFOWHOCKPIP-UHFFFAOYSA-N 1 0 308.223 3.122 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000181299274 400888009 /nfs/dbraw/zinc/88/80/09/400888009.db2.gz WIPXRHJZCGRJHX-MRXNPFEDSA-N 1 0 303.450 3.115 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CC1(C(=O)OC)CCCC1 ZINC000619654291 400878171 /nfs/dbraw/zinc/87/81/71/400878171.db2.gz CSGBYWRPLMKBRM-UHFFFAOYSA-N 1 0 303.402 3.074 10 30 DGEERO C=CCCCN(C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000605842278 400886077 /nfs/dbraw/zinc/88/60/77/400886077.db2.gz RESYDJNKYNXXSQ-UHFFFAOYSA-N 1 0 303.450 3.116 10 30 DGEERO CC(C)(C)c1ncc(C[NH2+]CCOc2ccc(C#N)cc2)s1 ZINC000174559340 400859584 /nfs/dbraw/zinc/85/95/84/400859584.db2.gz SVYNDWHHEHORDR-UHFFFAOYSA-N 1 0 315.442 3.481 10 30 DGEERO C=CCOc1cccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000056625092 400938924 /nfs/dbraw/zinc/93/89/24/400938924.db2.gz YDQQPBWHVLLDCO-HNNXBMFYSA-N 1 0 317.433 3.247 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000633410873 400939796 /nfs/dbraw/zinc/93/97/96/400939796.db2.gz FMFUZXTWGNMEGH-HZPDHXFCSA-N 1 0 307.482 3.247 10 30 DGEERO C=CC[C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000624788553 400951467 /nfs/dbraw/zinc/95/14/67/400951467.db2.gz VSEJKLZFNMTTME-DOTOQJQBSA-N 1 0 305.466 3.001 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000079846173 400900695 /nfs/dbraw/zinc/90/06/95/400900695.db2.gz ZBBMRXODCONXTJ-OAHLLOKOSA-N 1 0 301.434 3.223 10 30 DGEERO C=CCCC(C)(C)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000620859190 400998009 /nfs/dbraw/zinc/99/80/09/400998009.db2.gz XVDMWNFEFWTEEK-UHFFFAOYSA-N 1 0 315.461 3.467 10 30 DGEERO C=C(C)COCC[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594497529 401081551 /nfs/dbraw/zinc/08/15/51/401081551.db2.gz DJEJEOKNYFIFJR-QGZVFWFLSA-N 1 0 303.402 3.033 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000630023957 401159966 /nfs/dbraw/zinc/15/99/66/401159966.db2.gz QHHSVUJFMBKHRC-JKSUJKDBSA-N 1 0 316.445 3.325 10 30 DGEERO C=C(C)[C@H](CC(=O)N1CCC(CC)([NH+]2CCCC2)CC1)OCC ZINC000633953859 401160450 /nfs/dbraw/zinc/16/04/50/401160450.db2.gz HMPKRIGSDANIMM-KRWDZBQOSA-N 1 0 322.493 3.225 10 30 DGEERO C=C[C@@](C)(CCOC)C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633958211 401162986 /nfs/dbraw/zinc/16/29/86/401162986.db2.gz RWVUDCUSPABJMA-SFHVURJKSA-N 1 0 322.493 3.082 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000625703957 401188415 /nfs/dbraw/zinc/18/84/15/401188415.db2.gz QFHCUDUXHIHHPH-LSDHHAIUSA-N 1 0 304.409 3.243 10 30 DGEERO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000625749915 401201176 /nfs/dbraw/zinc/20/11/76/401201176.db2.gz BMDRDXWVLUZWOL-ISVAXAHUSA-N 1 0 320.177 3.315 10 30 DGEERO C=CCOc1ccccc1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634120379 401211442 /nfs/dbraw/zinc/21/14/42/401211442.db2.gz GBOJMTQMCOXLFJ-UHFFFAOYSA-N 1 0 316.445 3.198 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(SC)cc2)C1 ZINC000625701897 401185832 /nfs/dbraw/zinc/18/58/32/401185832.db2.gz LZDBKAXWTNTPEZ-HUUCEWRRSA-N 1 0 307.459 3.046 10 30 DGEERO C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625943243 401262108 /nfs/dbraw/zinc/26/21/08/401262108.db2.gz PMFISJCHKYDVME-UHFFFAOYSA-N 1 0 317.433 3.379 10 30 DGEERO C=C(C)Cn1c(C2CC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634372383 401276088 /nfs/dbraw/zinc/27/60/88/401276088.db2.gz OUALFJFYAGUABV-UHFFFAOYSA-N 1 0 317.481 3.042 10 30 DGEERO C=C[C@H](CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634763992 401347022 /nfs/dbraw/zinc/34/70/22/401347022.db2.gz IWMAODBKZNIRTP-NVXWUHKLSA-N 1 0 300.446 3.241 10 30 DGEERO C=CCOc1c(Cl)cc(CNc2[nH+]ccn2C)cc1OC ZINC000630955173 401359422 /nfs/dbraw/zinc/35/94/22/401359422.db2.gz VIJRCSBMTJVHTR-UHFFFAOYSA-N 1 0 307.781 3.259 10 30 DGEERO C=C1CC(C)(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000631591987 401508903 /nfs/dbraw/zinc/50/89/03/401508903.db2.gz KVTNMWWDJWGTGE-MRXNPFEDSA-N 1 0 300.446 3.370 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000623466737 401524630 /nfs/dbraw/zinc/52/46/30/401524630.db2.gz KHYFUYJXRNLRQG-KZNAEPCWSA-N 1 0 321.509 3.352 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000623342921 401494822 /nfs/dbraw/zinc/49/48/22/401494822.db2.gz VJIWTKYDZRCALX-HOTGVXAUSA-N 1 0 317.433 3.024 10 30 DGEERO C=CC(C)(C)CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628312770 401574392 /nfs/dbraw/zinc/57/43/92/401574392.db2.gz OFDFFMWRBRNNFB-KRWDZBQOSA-N 1 0 300.446 3.227 10 30 DGEERO C=C(C)COc1cc(C[NH2+]C[C@H]2C[C@@H](OC)C2)ccc1OC ZINC000623822462 401583507 /nfs/dbraw/zinc/58/35/07/401583507.db2.gz KELZJDNZCJTQJF-IYBDPMFKSA-N 1 0 305.418 3.165 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2OCC(F)(F)F)C1 ZINC000628405641 401592071 /nfs/dbraw/zinc/59/20/71/401592071.db2.gz QIMHBBOWKUXEOJ-GFCCVEGCSA-N 1 0 317.355 3.068 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000628407141 401592693 /nfs/dbraw/zinc/59/26/93/401592693.db2.gz ZVOHIDCFZBQPOQ-LBPRGKRZSA-N 1 0 320.234 3.495 10 30 DGEERO C=CCOc1c(Cl)cc(CNC2CC([NH+](C)C)C2)cc1OC ZINC000623558040 401545701 /nfs/dbraw/zinc/54/57/01/401545701.db2.gz ONPAQUVPIZHMNQ-UHFFFAOYSA-N 1 0 324.852 3.096 10 30 DGEERO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000624264415 401645225 /nfs/dbraw/zinc/64/52/25/401645225.db2.gz ZSKMJWPNDRBDDS-PKOBYXMFSA-N 1 0 317.477 3.007 10 30 DGEERO C=C1CC(C)(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000632335223 401601793 /nfs/dbraw/zinc/60/17/93/401601793.db2.gz YNTYRGGDODAWCT-AEFFLSMTSA-N 1 0 312.457 3.370 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623959112 401605671 /nfs/dbraw/zinc/60/56/71/401605671.db2.gz HPGQWKAPJVIOBB-GXSJLCMTSA-N 1 0 322.758 3.211 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000624038208 401616904 /nfs/dbraw/zinc/61/69/04/401616904.db2.gz WNUNBNOTTCTZMY-LBPRGKRZSA-N 1 0 313.438 3.482 10 30 DGEERO C=CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000628964730 401650470 /nfs/dbraw/zinc/65/04/70/401650470.db2.gz GVVAHVFMSWECEV-MOPGFXCFSA-N 1 0 312.457 3.479 10 30 DGEERO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1C[C@H]1C ZINC000629107815 401663697 /nfs/dbraw/zinc/66/36/97/401663697.db2.gz YTJGXRNSEVMJNB-CABCVRRESA-N 1 0 320.506 3.241 10 30 DGEERO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1C[C@@H]1C ZINC000629107816 401663845 /nfs/dbraw/zinc/66/38/45/401663845.db2.gz YTJGXRNSEVMJNB-GJZGRUSLSA-N 1 0 320.506 3.241 10 30 DGEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C#N)cc1Br ZINC000168566110 164611008 /nfs/dbraw/zinc/61/10/08/164611008.db2.gz YAUCKQGSHNVJAF-ZDUSSCGKSA-N 1 0 322.250 3.241 10 30 DGEERO C[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1COc2ccccc21 ZINC000185545308 165008050 /nfs/dbraw/zinc/00/80/50/165008050.db2.gz YYIROYKNPLUVDT-KSSFIOAISA-N 1 0 308.381 3.091 10 30 DGEERO N#Cc1cccnc1N1CC[NH+](CCCCc2ccccc2)CC1 ZINC000186479981 165045242 /nfs/dbraw/zinc/04/52/42/165045242.db2.gz PCPANIJOHGFULM-UHFFFAOYSA-N 1 0 320.440 3.098 10 30 DGEERO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195356077 165367540 /nfs/dbraw/zinc/36/75/40/165367540.db2.gz QRVOVHXZKSPDGU-OAHLLOKOSA-N 1 0 313.426 3.273 10 30 DGEERO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1cccc(C#N)c1 ZINC000181919464 432150865 /nfs/dbraw/zinc/15/08/65/432150865.db2.gz XWPXJYCFLHDBKV-GUYCJALGSA-N 1 0 305.381 3.335 10 30 DGEERO CC(=O)Nc1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000182144918 432159958 /nfs/dbraw/zinc/15/99/58/432159958.db2.gz HXRLNDMONYUFEE-AWEZNQCLSA-N 1 0 323.396 3.246 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000171698471 432161957 /nfs/dbraw/zinc/16/19/57/432161957.db2.gz IHVDQVWZMGRPLV-ZDUSSCGKSA-N 1 0 321.852 3.351 10 30 DGEERO C=CCCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190540805 432168872 /nfs/dbraw/zinc/16/88/72/432168872.db2.gz RZZNCIWAIGIZDC-HNNXBMFYSA-N 1 0 321.490 3.088 10 30 DGEERO C[N+](C)(C1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000179846406 228353292 /nfs/dbraw/zinc/35/32/92/228353292.db2.gz CDQRGHXSUHNNRF-SFHVURJKSA-N 1 0 312.437 3.073 10 30 DGEERO Cn1nc(C(C)(C)C)cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330119419 228977330 /nfs/dbraw/zinc/97/73/30/228977330.db2.gz ZUUIXVMKLHFGAM-UHFFFAOYSA-N 1 0 318.465 3.039 10 30 DGEERO Cc1ccc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc1C#N ZINC000302597481 230311857 /nfs/dbraw/zinc/31/18/57/230311857.db2.gz BMZWOAOXFXXIHE-IAGOWNOFSA-N 1 0 312.461 3.353 10 30 DGEERO Cc1ccc(NCC2([NH+]3CCSCC3)CCCC2)nc1C#N ZINC000302670325 230343657 /nfs/dbraw/zinc/34/36/57/230343657.db2.gz RHQUZWXXRHVUDO-UHFFFAOYSA-N 1 0 316.474 3.035 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(C#N)cc1F ZINC000358580612 269881731 /nfs/dbraw/zinc/88/17/31/269881731.db2.gz YGJWWEJJNUEICV-RVSPLBMKSA-N 1 0 320.433 3.403 10 30 DGEERO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358566067 267145970 /nfs/dbraw/zinc/14/59/70/267145970.db2.gz ICOGHEPHQVVFAM-VXGBXAGGSA-N 1 0 306.381 3.468 10 30 DGEERO N#Cc1cnccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368382967 271151600 /nfs/dbraw/zinc/15/16/00/271151600.db2.gz LVJUFVOFEYHABD-MOPGFXCFSA-N 1 0 318.424 3.197 10 30 DGEERO C=CC1CC[NH+]([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000348196154 273483907 /nfs/dbraw/zinc/48/39/07/273483907.db2.gz XWCLYCPGLQCBGN-AWEZNQCLSA-N 1 0 316.470 3.412 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000343492916 273487200 /nfs/dbraw/zinc/48/72/00/273487200.db2.gz CTGCCQMZUYYMOS-HIFRSBDPSA-N 1 0 310.235 3.353 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000070742994 431257977 /nfs/dbraw/zinc/25/79/77/431257977.db2.gz LUOAPPLGHDSADS-VHSXEESVSA-N 1 0 301.217 3.335 10 30 DGEERO C[C@H]1CC(O)C[C@H](C)[NH+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000191279675 279639877 /nfs/dbraw/zinc/63/98/77/279639877.db2.gz NLAMYFXOEMGNTC-STQMWFEESA-N 1 0 311.347 3.291 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H](CN(C)C)c2ccccc2)cc1 ZINC000113315801 431343157 /nfs/dbraw/zinc/34/31/57/431343157.db2.gz AGIHDCRFWHLDJQ-HXUWFJFHSA-N 1 0 308.425 3.091 10 30 DGEERO COc1cccc(N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)c1 ZINC000117390637 431561151 /nfs/dbraw/zinc/56/11/51/431561151.db2.gz DZLUYRUQTCUKEJ-GOSISDBHSA-N 1 0 321.424 3.325 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000118398405 431603299 /nfs/dbraw/zinc/60/32/99/431603299.db2.gz NGFAFHUPFBZBDV-OAHLLOKOSA-N 1 0 308.429 3.307 10 30 DGEERO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC2(C)C)c(OC)c1 ZINC000077383083 431591551 /nfs/dbraw/zinc/59/15/51/431591551.db2.gz JTMRDIIGUKQHLK-INIZCTEOSA-N 1 0 319.445 3.038 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000078533607 431679544 /nfs/dbraw/zinc/67/95/44/431679544.db2.gz FKPCDLICXROLTK-INIZCTEOSA-N 1 0 315.461 3.396 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000078691281 431697233 /nfs/dbraw/zinc/69/72/33/431697233.db2.gz LGJHRCJLIYIEBI-ZIAGYGMSSA-N 1 0 322.424 3.298 10 30 DGEERO CC(C)(CCC#N)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000121052974 431739978 /nfs/dbraw/zinc/73/99/78/431739978.db2.gz JBRODCFOUURVRU-UHFFFAOYSA-N 1 0 319.493 3.431 10 30 DGEERO C=CCN(CC(=O)Nc1cccc(C)c1)Cc1cccc(C#N)c1 ZINC000119659387 431714557 /nfs/dbraw/zinc/71/45/57/431714557.db2.gz CMEJUWOFVGCZDW-UHFFFAOYSA-N 1 0 319.408 3.493 10 30 DGEERO Cc1ccc[n+](CC(=O)N2CC[C@H](C)Sc3ccccc32)c1 ZINC000029352002 431719085 /nfs/dbraw/zinc/71/90/85/431719085.db2.gz VYJWEXCBZASVTC-HNNXBMFYSA-N 1 0 313.446 3.200 10 30 DGEERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000122811500 431845595 /nfs/dbraw/zinc/84/55/95/431845595.db2.gz XBOWNIMRSVWFKB-OAHLLOKOSA-N 1 0 300.431 3.307 10 30 DGEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(OCCCC#N)c1 ZINC000093437414 431913828 /nfs/dbraw/zinc/91/38/28/431913828.db2.gz HPIRVRHFFHETRI-SJLPKXTDSA-N 1 0 313.445 3.038 10 30 DGEERO C=CCc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1O ZINC000093644160 431915436 /nfs/dbraw/zinc/91/54/36/431915436.db2.gz DERIMUBUZXWLKP-YOEHRIQHSA-N 1 0 318.461 3.044 10 30 DGEERO C[N@H+](CCCOc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000091899271 431906791 /nfs/dbraw/zinc/90/67/91/431906791.db2.gz WZZPUEQNBLJSBX-UHFFFAOYSA-N 1 0 320.396 3.107 10 30 DGEERO C=CCN(Cc1ccco1)Cc1cc2ccccc2n(C)c1=O ZINC000055358906 431980083 /nfs/dbraw/zinc/98/00/83/431980083.db2.gz YCULVCVNGSWDTF-UHFFFAOYSA-N 1 0 308.381 3.320 10 30 DGEERO N#Cc1cnc(Nc2cc(NCC3CCCCC3)c(N)c[nH+]2)cn1 ZINC000098178664 431980570 /nfs/dbraw/zinc/98/05/70/431980570.db2.gz NEQZGAFAXIUKHF-UHFFFAOYSA-N 1 0 323.404 3.061 10 30 DGEERO CC1CC[NH+](C[C@@H]2CCCN(CC#Cc3ccccc3)C2)CC1 ZINC000191975217 432319636 /nfs/dbraw/zinc/31/96/36/432319636.db2.gz WCOMDWMTCOOOAR-OAQYLSRUSA-N 1 0 310.485 3.482 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1F ZINC000192034398 432324595 /nfs/dbraw/zinc/32/45/95/432324595.db2.gz HHQSDWMVLREFJI-OAHLLOKOSA-N 1 0 310.376 3.026 10 30 DGEERO CCN(CC)C(=O)C1([NH2+]CC#Cc2ccccc2)CCCCC1 ZINC000192106608 432333890 /nfs/dbraw/zinc/33/38/90/432333890.db2.gz OQDHICPBGOTJHA-UHFFFAOYSA-N 1 0 312.457 3.199 10 30 DGEERO CC(C)(CCC#N)C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000174302023 432334720 /nfs/dbraw/zinc/33/47/20/432334720.db2.gz LRCHHVRREWKDRH-UHFFFAOYSA-N 1 0 323.440 3.316 10 30 DGEERO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000192154175 432337800 /nfs/dbraw/zinc/33/78/00/432337800.db2.gz SJRJYVKECWXZGM-INIZCTEOSA-N 1 0 320.392 3.346 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184267755 432372957 /nfs/dbraw/zinc/37/29/57/432372957.db2.gz PUKNAMWTTRXWBF-MRXNPFEDSA-N 1 0 315.461 3.369 10 30 DGEERO C=CC[N@@H+](CCO[C@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000193046215 432442306 /nfs/dbraw/zinc/44/23/06/432442306.db2.gz MLGIFPMNEXDDHI-KRWDZBQOSA-N 1 0 320.389 3.126 10 30 DGEERO CN(CC[N@H+](C)Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000185156615 432471472 /nfs/dbraw/zinc/47/14/72/432471472.db2.gz UPLLXQJJEGBYFH-UHFFFAOYSA-N 1 0 311.404 3.261 10 30 DGEERO COCc1ccccc1NC(=[NH2+])N[C@H]1c2ccccc2O[C@H]1C ZINC000262316946 432481871 /nfs/dbraw/zinc/48/18/71/432481871.db2.gz USGQYTXUNMWEAP-YVEFUNNKSA-N 1 0 311.385 3.082 10 30 DGEERO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2nnc3ccccn32)cc1 ZINC000263271754 432529478 /nfs/dbraw/zinc/52/94/78/432529478.db2.gz XDJMSWYPASOFEC-ZDUSSCGKSA-N 1 0 322.416 3.170 10 30 DGEERO N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)n2c1 ZINC000155088911 432538097 /nfs/dbraw/zinc/53/80/97/432538097.db2.gz CKZWJXZPSMAIQL-QGZVFWFLSA-N 1 0 316.408 3.271 10 30 DGEERO C[C@@H]1C[C@@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000177292092 432608900 /nfs/dbraw/zinc/60/89/00/432608900.db2.gz IIQJTAUYKCECTC-PBHICJAKSA-N 1 0 324.390 3.471 10 30 DGEERO CCN(C[C@H](C)C#N)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000195435565 432622520 /nfs/dbraw/zinc/62/25/20/432622520.db2.gz NZHUKORFTAXCQF-SJORKVTESA-N 1 0 315.461 3.294 10 30 DGEERO C[NH+](C)Cc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000187955410 432695228 /nfs/dbraw/zinc/69/52/28/432695228.db2.gz APDZVUXKAOEGES-UHFFFAOYSA-N 1 0 319.408 3.290 10 30 DGEERO N#CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000245863916 432865843 /nfs/dbraw/zinc/86/58/43/432865843.db2.gz IFNZQWCKCKHOCU-RCCFBDPRSA-N 1 0 312.413 3.026 10 30 DGEERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(OCC#N)cc1 ZINC000245964486 432873030 /nfs/dbraw/zinc/87/30/30/432873030.db2.gz YVOJXXRYNURIHO-KKBVYLPWSA-N 1 0 300.402 3.053 10 30 DGEERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2C)[C@@H](C)C1 ZINC000246008707 432874477 /nfs/dbraw/zinc/87/44/77/432874477.db2.gz KQPMVMMILRRJAC-YOEHRIQHSA-N 1 0 314.433 3.061 10 30 DGEERO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000246055700 432875234 /nfs/dbraw/zinc/87/52/34/432875234.db2.gz VHJWZNYBVIFNIV-IPMKNSEASA-N 1 0 313.445 3.084 10 30 DGEERO C=C(CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000288131270 432888113 /nfs/dbraw/zinc/88/81/13/432888113.db2.gz XJWUCSGRYURUSY-WMZOPIPTSA-N 1 0 315.461 3.072 10 30 DGEERO C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1)[NH+]1CCCCCC1 ZINC000328867357 289232011 /nfs/dbraw/zinc/23/20/11/289232011.db2.gz CCRQUBPBPHOGCN-XPKDYRNWSA-N 1 0 307.438 3.105 10 30 DGEERO C=CCC[C@H](CO)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453355472 433117704 /nfs/dbraw/zinc/11/77/04/433117704.db2.gz MHPOHUBBICXNDU-IUODEOHRSA-N 1 0 314.351 3.395 10 30 DGEERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccccc1C#N)CC2 ZINC000374348874 433186103 /nfs/dbraw/zinc/18/61/03/433186103.db2.gz HCUBRLHMLJIKCW-UHFFFAOYSA-N 1 0 304.393 3.362 10 30 DGEERO C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036290 433356398 /nfs/dbraw/zinc/35/63/98/433356398.db2.gz XDXWOCVZDPGCBY-SUMWQHHRSA-N 1 0 303.425 3.468 10 30 DGEERO C=CCCCNC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000447968927 433336761 /nfs/dbraw/zinc/33/67/61/433336761.db2.gz SVZLNRJJSPLMBO-QGZVFWFLSA-N 1 0 303.450 3.335 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](CC)C2)cc1OC ZINC000421389907 433534894 /nfs/dbraw/zinc/53/48/94/433534894.db2.gz RTUSNBGYRWBYGN-HZPDHXFCSA-N 1 0 305.418 3.307 10 30 DGEERO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000448809609 433563140 /nfs/dbraw/zinc/56/31/40/433563140.db2.gz JSJQQENAEGAIFY-QGZVFWFLSA-N 1 0 300.446 3.370 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCc4sccc43)n2c1 ZINC000160975962 292825351 /nfs/dbraw/zinc/82/53/51/292825351.db2.gz AUZIWAGPTOSQHB-OAHLLOKOSA-N 1 0 308.410 3.435 10 30 DGEERO CCc1nnc(NCCC[N@@H+]2CCC[C@H](C)C2)c(C#N)c1CC ZINC000301628171 433645094 /nfs/dbraw/zinc/64/50/94/433645094.db2.gz RJQBFIKJEPGWGU-AWEZNQCLSA-N 1 0 315.465 3.007 10 30 DGEERO C#CC[C@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1ccccc1 ZINC000376208875 433692950 /nfs/dbraw/zinc/69/29/50/433692950.db2.gz FPSHWIBWZPEQOK-KRWDZBQOSA-N 1 0 322.412 3.063 10 30 DGEERO Cc1cc(C#N)cc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000342504354 433732515 /nfs/dbraw/zinc/73/25/15/433732515.db2.gz DFIVGHJEEAYFDR-QAPCUYQASA-N 1 0 306.413 3.337 10 30 DGEERO Cc1cc(C#N)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000376458471 433745070 /nfs/dbraw/zinc/74/50/70/433745070.db2.gz BFOHOLOTBPWLQF-DOTOQJQBSA-N 1 0 321.428 3.122 10 30 DGEERO Cc1ccc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1C#N ZINC000302597480 433830507 /nfs/dbraw/zinc/83/05/07/433830507.db2.gz BMZWOAOXFXXIHE-DLBZAZTESA-N 1 0 312.461 3.353 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC)cc1OC ZINC000362970377 433935286 /nfs/dbraw/zinc/93/52/86/433935286.db2.gz UFPPOVMEFKHHNL-HOTGVXAUSA-N 1 0 305.418 3.307 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415574261 433986004 /nfs/dbraw/zinc/98/60/04/433986004.db2.gz DELGATJEEUXKBP-OAHLLOKOSA-N 1 0 301.434 3.412 10 30 DGEERO C=CC[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000353152787 434068683 /nfs/dbraw/zinc/06/86/83/434068683.db2.gz IQJLXTREKKQSKL-AWEZNQCLSA-N 1 0 312.207 3.003 10 30 DGEERO C=CCCC[C@H](C)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416192197 434054314 /nfs/dbraw/zinc/05/43/14/434054314.db2.gz QAMNPIQZDIPNLH-INIZCTEOSA-N 1 0 300.446 3.296 10 30 DGEERO CC(=O)Nc1ccn([C@H]2CCN(Cc3ncoc3C(C)C)C2)n1 ZINC000328620887 434291035 /nfs/dbraw/zinc/29/10/35/434291035.db2.gz HIDHIWIUZJTNHB-ZDUSSCGKSA-N 1 0 317.393 3.049 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384299263 434293113 /nfs/dbraw/zinc/29/31/13/434293113.db2.gz YFXVIIBWJFODPM-WCQYABFASA-N 1 0 312.866 3.304 10 30 DGEERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000397463890 434435012 /nfs/dbraw/zinc/43/50/12/434435012.db2.gz PDUYYQBGIAFOJC-UHFFFAOYSA-N 1 0 323.462 3.403 10 30 DGEERO COc1ccc(C[N@@H+]2CC[C@H](O)c3ccccc3C2)cc1C#N ZINC000368322710 434570412 /nfs/dbraw/zinc/57/04/12/434570412.db2.gz CTVQDWXODMMRFK-SFHVURJKSA-N 1 0 308.381 3.006 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000424178660 434647268 /nfs/dbraw/zinc/64/72/68/434647268.db2.gz WOJAXVOKTMOMNR-HOCLYGCPSA-N 1 0 300.427 3.491 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(C3CC3)c2)CC1 ZINC000439784454 434648780 /nfs/dbraw/zinc/64/87/80/434648780.db2.gz CXTWCMGNPPKGLH-UHFFFAOYSA-N 1 0 317.408 3.475 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000424291531 434679683 /nfs/dbraw/zinc/67/96/83/434679683.db2.gz DPELUQMVVYDNHJ-DOPJRALCSA-N 1 0 305.393 3.466 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000424297922 434682011 /nfs/dbraw/zinc/68/20/11/434682011.db2.gz RJKFCBBVXFGZAL-ZYSHUDEJSA-N 1 0 312.388 3.491 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000424297921 434682118 /nfs/dbraw/zinc/68/21/18/434682118.db2.gz RJKFCBBVXFGZAL-SNRMKQJTSA-N 1 0 312.388 3.491 10 30 DGEERO C=C(C)C[N@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000441218885 434763049 /nfs/dbraw/zinc/76/30/49/434763049.db2.gz UORFKOLKHUPYKI-APWZRJJASA-N 1 0 301.478 3.498 10 30 DGEERO C=CCCC[C@H](C)[NH2+][C@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000361085687 434792762 /nfs/dbraw/zinc/79/27/62/434792762.db2.gz FQRVJOYHKMLUBW-XJKSGUPXSA-N 1 0 310.463 3.120 10 30 DGEERO C(#Cc1ccccc1)C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000577029829 435058211 /nfs/dbraw/zinc/05/82/11/435058211.db2.gz FPZIKHINJKLZDT-HXUWFJFHSA-N 1 0 302.421 3.175 10 30 DGEERO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529351569 435035116 /nfs/dbraw/zinc/03/51/16/435035116.db2.gz IFLRQRFTXOXVJR-KRWDZBQOSA-N 1 0 313.445 3.059 10 30 DGEERO C=C(C)[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000557175527 435047561 /nfs/dbraw/zinc/04/75/61/435047561.db2.gz NFLXQQCXLJFLCC-CZUORRHYSA-N 1 0 323.387 3.023 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575896295 435052872 /nfs/dbraw/zinc/05/28/72/435052872.db2.gz JFJYOTCEGZIDPE-SJLPKXTDSA-N 1 0 315.461 3.257 10 30 DGEERO C=CCCN(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000466765089 435092788 /nfs/dbraw/zinc/09/27/88/435092788.db2.gz FAVCWKUGFNZULY-IBGZPJMESA-N 1 0 315.461 3.259 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000466905205 435097202 /nfs/dbraw/zinc/09/72/02/435097202.db2.gz DHUPQEAXVDKIGT-LJQANCHMSA-N 1 0 311.425 3.253 10 30 DGEERO C=CCC[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000467282994 435113759 /nfs/dbraw/zinc/11/37/59/435113759.db2.gz GDDPIFKGCSRJAN-NSHDSACASA-N 1 0 304.217 3.241 10 30 DGEERO C=CCOCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000559154804 435122753 /nfs/dbraw/zinc/12/27/53/435122753.db2.gz GGMATLSKQCTPKY-OAGGEKHMSA-N 1 0 309.450 3.164 10 30 DGEERO N#Cc1ccc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000559290243 435127750 /nfs/dbraw/zinc/12/77/50/435127750.db2.gz QWSRIXKBMPXIIR-SFHVURJKSA-N 1 0 312.461 3.041 10 30 DGEERO C=CCC[C@H](O)C[N@@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472763478 435140458 /nfs/dbraw/zinc/14/04/58/435140458.db2.gz ARHLQLBOPXTQBQ-IHPCNDPISA-N 1 0 316.489 3.471 10 30 DGEERO C=CCOc1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1 ZINC000475549339 435203088 /nfs/dbraw/zinc/20/30/88/435203088.db2.gz LLTIHCDZVWZOPV-UHFFFAOYSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCCCCC[NH2+]Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000563416605 435267164 /nfs/dbraw/zinc/26/71/64/435267164.db2.gz HNNJLTCHSGPYCE-UHFFFAOYSA-N 1 0 313.445 3.320 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000535806056 435354960 /nfs/dbraw/zinc/35/49/60/435354960.db2.gz CDAQGQXKMGQDMG-AEFFLSMTSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000535809803 435357100 /nfs/dbraw/zinc/35/71/00/435357100.db2.gz JDMPARIFEJYGAV-ROUUACIJSA-N 1 0 301.430 3.500 10 30 DGEERO C=C(C)COCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000539060538 435535208 /nfs/dbraw/zinc/53/52/08/435535208.db2.gz UBGVBGKIFMHMBK-MJGOQNOKSA-N 1 0 302.462 3.079 10 30 DGEERO C=CCOc1ccccc1CN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000539817331 435571273 /nfs/dbraw/zinc/57/12/73/435571273.db2.gz NSMAKJGEQAXRIC-WMZOPIPTSA-N 1 0 302.462 3.414 10 30 DGEERO CC[C@H]1CN(c2ccncc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000547834843 435651627 /nfs/dbraw/zinc/65/16/27/435651627.db2.gz BMUXJLYMJJWPNP-SFHVURJKSA-N 1 0 306.413 3.054 10 30 DGEERO C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccc(C#N)cc1 ZINC000173981260 312758993 /nfs/dbraw/zinc/75/89/93/312758993.db2.gz QGHBEQRHIWXJCM-OXJNMPFZSA-N 1 0 307.441 3.382 10 30 DGEERO C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Cc1cccs1 ZINC000174533942 312763945 /nfs/dbraw/zinc/76/39/45/312763945.db2.gz JLTJHJRNEISPAX-ZDUSSCGKSA-N 1 0 310.426 3.236 10 30 DGEERO Cc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(C#N)n1 ZINC000557564890 314810134 /nfs/dbraw/zinc/81/01/34/314810134.db2.gz IZPIBQGQPYQNRV-QGZVFWFLSA-N 1 0 312.461 3.354 10 30 DGEERO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cccc(C#N)c1 ZINC000181547153 323258370 /nfs/dbraw/zinc/25/83/70/323258370.db2.gz ZCKCVTUTKZBPSJ-JXFKEZNVSA-N 1 0 307.441 3.382 10 30 DGEERO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000182290358 323291278 /nfs/dbraw/zinc/29/12/78/323291278.db2.gz DBWZBKUIOXTJAW-AWEZNQCLSA-N 1 0 324.380 3.407 10 30 DGEERO C=C(CC)C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000313492810 331960073 /nfs/dbraw/zinc/96/00/73/331960073.db2.gz OZTVXPCUYLGGDV-UHFFFAOYSA-N 1 0 300.196 3.219 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000186708566 332943485 /nfs/dbraw/zinc/94/34/85/332943485.db2.gz GLCFWWPUELWUFD-NOZJJQNGSA-N 1 0 314.198 3.102 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000186708583 332943555 /nfs/dbraw/zinc/94/35/55/332943555.db2.gz GLCFWWPUELWUFD-ZANVPECISA-N 1 0 314.198 3.102 10 30 DGEERO C=CCCCCCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000572972038 332664583 /nfs/dbraw/zinc/66/45/83/332664583.db2.gz NCLJZSWNKMHSGA-AWEZNQCLSA-N 1 0 309.479 3.396 10 30 DGEERO C=CCCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571015257 333480380 /nfs/dbraw/zinc/48/03/80/333480380.db2.gz NDWHIPUPUHLGOG-OAHLLOKOSA-N 1 0 309.841 3.208 10 30 DGEERO C=CCCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000520501516 335983494 /nfs/dbraw/zinc/98/34/94/335983494.db2.gz ZFZCANNMBGULSN-SFHVURJKSA-N 1 0 315.461 3.397 10 30 DGEERO [NH2+]=C(NCCc1c[nH]c2cc(Cl)cc(Cl)c12)NC1CC1 ZINC000262451910 337618231 /nfs/dbraw/zinc/61/82/31/337618231.db2.gz USSBVUAAWWAVGH-UHFFFAOYSA-N 1 0 311.216 3.084 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccsc1Br ZINC000527714758 337758408 /nfs/dbraw/zinc/75/84/08/337758408.db2.gz BAXMMINNSPNNOP-MNOVXSKESA-N 1 0 302.237 3.334 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459510546 339033318 /nfs/dbraw/zinc/03/33/18/339033318.db2.gz WSUAABZWWYOMQN-KGLIPLIRSA-N 1 0 307.463 3.034 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)OC)cc1 ZINC000499252335 340033334 /nfs/dbraw/zinc/03/33/34/340033334.db2.gz FZNHNMUDVJZNJB-PKOBYXMFSA-N 1 0 317.429 3.463 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H]([NH2+][C@H](C)CC)c1ccco1 ZINC000509566338 340273691 /nfs/dbraw/zinc/27/36/91/340273691.db2.gz DYVIFFPHRNSQGY-CABCVRRESA-N 1 0 307.438 3.316 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000076737556 341213310 /nfs/dbraw/zinc/21/33/10/341213310.db2.gz DYBJKMNNVCPNBS-UHFFFAOYSA-N 1 0 307.394 3.272 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000076738479 341213534 /nfs/dbraw/zinc/21/35/34/341213534.db2.gz KLTZKJJHSCGESE-IBGZPJMESA-N 1 0 316.445 3.161 10 30 DGEERO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC2(C)C)c1C ZINC000077483572 341225474 /nfs/dbraw/zinc/22/54/74/341225474.db2.gz DBIPELWMVDHYHG-UHFFFAOYSA-N 1 0 313.445 3.425 10 30 DGEERO C=CC[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000249599534 341399776 /nfs/dbraw/zinc/39/97/76/341399776.db2.gz XULBDEHEXCZFMA-SJLPKXTDSA-N 1 0 300.446 3.337 10 30 DGEERO COc1ccc(F)cc1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000186864768 533923763 /nfs/dbraw/zinc/92/37/63/533923763.db2.gz WIHOFYDUGLDVQJ-UHFFFAOYSA-N 1 0 313.376 3.250 10 30 DGEERO C=CCc1cc(C[NH2+]C[C@H]2CCCO2)cc(OC)c1OCC ZINC000013731184 519132099 /nfs/dbraw/zinc/13/20/99/519132099.db2.gz QDAXQQKMPBZOTK-MRXNPFEDSA-N 1 0 305.418 3.091 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000449241173 534695408 /nfs/dbraw/zinc/69/54/08/534695408.db2.gz RSCNOYVODUJODE-NVXWUHKLSA-N 1 0 301.434 3.302 10 30 DGEERO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000185795157 534748896 /nfs/dbraw/zinc/74/88/96/534748896.db2.gz CFZSPPCOZQIHGP-RBUKOAKNSA-N 1 0 321.424 3.069 10 30 DGEERO C=CCC[C@H](O)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451146881 534806597 /nfs/dbraw/zinc/80/65/97/534806597.db2.gz MMLRRYKCDWMJCS-ZDUSSCGKSA-N 1 0 315.335 3.491 10 30 DGEERO N#Cc1csc(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000299738491 534830143 /nfs/dbraw/zinc/83/01/43/534830143.db2.gz BKWTVPKCFOKHCO-AWEZNQCLSA-N 1 0 312.442 3.142 10 30 DGEERO C=CCN(CCc1ccccc1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339251243 526311786 /nfs/dbraw/zinc/31/17/86/526311786.db2.gz BGATUCDUULCPDP-UHFFFAOYSA-N 1 0 323.440 3.014 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434501046 526521450 /nfs/dbraw/zinc/52/14/50/526521450.db2.gz UYZAVCXSRPVVQH-UHFFFAOYSA-N 1 0 318.436 3.372 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000185224221 526694244 /nfs/dbraw/zinc/69/42/44/526694244.db2.gz AANXPJKRTBJRDG-OAHLLOKOSA-N 1 0 306.425 3.318 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000353286927 526801966 /nfs/dbraw/zinc/80/19/66/526801966.db2.gz PLJBSWKZASFPPX-LPHOPBHVSA-N 1 0 311.429 3.158 10 30 DGEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000435736572 526834488 /nfs/dbraw/zinc/83/44/88/526834488.db2.gz XZZIQJIAQVZFSA-IEBWSBKVSA-N 1 0 311.429 3.002 10 30 DGEERO C=CCOc1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000354035765 526865164 /nfs/dbraw/zinc/86/51/64/526865164.db2.gz DLRZTFLKUNVJBA-LJQANCHMSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cc1 ZINC000354564427 526867360 /nfs/dbraw/zinc/86/73/60/526867360.db2.gz KNTDELJDCNRZJE-IBGZPJMESA-N 1 0 303.446 3.482 10 30 DGEERO C=C(CNC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000354530113 526869913 /nfs/dbraw/zinc/86/99/13/526869913.db2.gz GYRINPVKWZSFMK-UHFFFAOYSA-N 1 0 315.461 3.119 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000355644866 526875479 /nfs/dbraw/zinc/87/54/79/526875479.db2.gz BJRXYZYNDSRFOQ-IBGZPJMESA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1cccc(C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000339512838 526904310 /nfs/dbraw/zinc/90/43/10/526904310.db2.gz LATCQUMUKXLBCW-UHFFFAOYSA-N 1 0 309.413 3.251 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000355647507 526935059 /nfs/dbraw/zinc/93/50/59/526935059.db2.gz HGORPULIKCRMFD-IBGZPJMESA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](OCC)[C@]12CCCO2 ZINC000358570631 526952536 /nfs/dbraw/zinc/95/25/36/526952536.db2.gz NJITWUQPUOFKQT-QYZOEREBSA-N 1 0 317.429 3.068 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000343532582 527142013 /nfs/dbraw/zinc/14/20/13/527142013.db2.gz IFJPIRFUDGQAJA-NBOOPKSLSA-N 1 0 300.446 3.366 10 30 DGEERO C=CCCCN(C)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000347367343 527187037 /nfs/dbraw/zinc/18/70/37/527187037.db2.gz YWFRJWAYJHTMIE-UHFFFAOYSA-N 1 0 305.422 3.057 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000290176392 527210250 /nfs/dbraw/zinc/21/02/50/527210250.db2.gz RKLUOUMSBRNVTC-ZWNOBZJWSA-N 1 0 316.214 3.046 10 30 DGEERO C=CCc1cc(C[NH2+][C@H](CO)c2ccsc2)cc(OC)c1O ZINC000349702880 527243942 /nfs/dbraw/zinc/24/39/42/527243942.db2.gz NPBCPPABOSNDBO-OAHLLOKOSA-N 1 0 319.426 3.014 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000340740930 527249717 /nfs/dbraw/zinc/24/97/17/527249717.db2.gz IPKKDBSESRRJST-OAHLLOKOSA-N 1 0 304.409 3.328 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000340944645 527251070 /nfs/dbraw/zinc/25/10/70/527251070.db2.gz AXSWEFNMAZAYPC-CQSZACIVSA-N 1 0 322.474 3.161 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415586901 527259533 /nfs/dbraw/zinc/25/95/33/527259533.db2.gz WDSKAXFACKSLBH-OAHLLOKOSA-N 1 0 301.434 3.494 10 30 DGEERO C=CCC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccco1 ZINC000353634507 527448371 /nfs/dbraw/zinc/44/83/71/527448371.db2.gz WFGSBAWCUWTMDX-OAHLLOKOSA-N 1 0 311.447 3.091 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444698652 527632848 /nfs/dbraw/zinc/63/28/48/527632848.db2.gz CYHYIWNEXOJEMY-KRWDZBQOSA-N 1 0 300.446 3.324 10 30 DGEERO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1C ZINC000442875931 527859196 /nfs/dbraw/zinc/85/91/96/527859196.db2.gz XFFVFHSSLUQBRR-PYVGIJRLSA-N 1 0 306.450 3.274 10 30 DGEERO CCCCCCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000157938482 528133131 /nfs/dbraw/zinc/13/31/31/528133131.db2.gz YABVUYDWRPHMSY-LJQANCHMSA-N 1 0 304.478 3.308 10 30 DGEERO CC[NH+]=C(NCc1nc2cc(Cl)ccc2s1)N[C@@H]1C[C@@H]1C ZINC000262811203 528818353 /nfs/dbraw/zinc/81/83/53/528818353.db2.gz ODYMXTXENQDBIO-GXSJLCMTSA-N 1 0 322.865 3.413 10 30 DGEERO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCCSCC#N ZINC000184019145 529301382 /nfs/dbraw/zinc/30/13/82/529301382.db2.gz HVNOWVHIWRVQMU-INIZCTEOSA-N 1 0 303.475 3.234 10 30 DGEERO CC[C@](C)(C#N)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000354831723 529349504 /nfs/dbraw/zinc/34/95/04/529349504.db2.gz ZOGIITSUYNKTMP-RTBURBONSA-N 1 0 313.445 3.097 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455367 545814594 /nfs/dbraw/zinc/81/45/94/545814594.db2.gz VWBRTZHKSNBSLS-WCQYABFASA-N 1 0 312.866 3.291 10 30 DGEERO CC[N@@H+]1CCC[C@H](NC(=O)CSc2nccn2C(C)(C)C)C1 ZINC000329158998 546483425 /nfs/dbraw/zinc/48/34/25/546483425.db2.gz XGZVGPYKPHXHNA-ZDUSSCGKSA-N 1 0 324.494 3.171 10 30 DGEERO C=CCOCC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000384039354 546742227 /nfs/dbraw/zinc/74/22/27/546742227.db2.gz QBTSYFKFNBIQME-SNVBAGLBSA-N 1 0 302.187 3.441 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000223014206 618624259 /nfs/dbraw/zinc/62/42/59/618624259.db2.gz MHQGLIYGCJKMBM-ZJIFWQFVSA-N 1 0 321.465 3.304 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)c1cccc(OC)c1 ZINC000121303587 619045062 /nfs/dbraw/zinc/04/50/62/619045062.db2.gz HCOADECFKRULHH-HOTGVXAUSA-N 1 0 317.429 3.076 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NCC1(Cc2ccccc2)CC1 ZINC000151419617 620445380 /nfs/dbraw/zinc/44/53/80/620445380.db2.gz FPADQZAHLBKNPX-UHFFFAOYSA-N 1 0 313.470 3.218 10 30 DGEERO C#CCOc1ccc(C[N@H+]2CCC[C@H](n3ccnc3CC)C2)cc1 ZINC000122908754 622427954 /nfs/dbraw/zinc/42/79/54/622427954.db2.gz WWZQSCWFJWOHHY-SFHVURJKSA-N 1 0 323.440 3.295 10 30 DGEERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000124038124 622883103 /nfs/dbraw/zinc/88/31/03/622883103.db2.gz VDYGZOVPJBBEIV-MAUKXSAKSA-N 1 0 304.434 3.254 10 30 DGEERO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000223006683 627271476 /nfs/dbraw/zinc/27/14/76/627271476.db2.gz LMPYSHSFIAPEMV-LXTVHRRPSA-N 1 0 307.438 3.104 10 30 DGEERO CC(C)CCC[C@H](C)NC(=[NH2+])NCCCc1nc(C(C)C)no1 ZINC000104179005 627412284 /nfs/dbraw/zinc/41/22/84/627412284.db2.gz DRBQQGWPUGEZBO-AWEZNQCLSA-N 1 0 323.485 3.245 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000700849297 660641004 /nfs/dbraw/zinc/64/10/04/660641004.db2.gz VGJJKDOHQVTVNM-LSDHHAIUSA-N 1 0 312.454 3.005 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+]CC[C@@H](C)F ZINC000702624025 660731794 /nfs/dbraw/zinc/73/17/94/660731794.db2.gz RJRZMWNMVRTZFL-LLVKDONJSA-N 1 0 314.198 3.299 10 30 DGEERO Cc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)n1 ZINC000160665542 655667693 /nfs/dbraw/zinc/66/76/93/655667693.db2.gz BVVUWOMFZKENPL-UHFFFAOYSA-N 1 0 324.306 3.215 10 30 DGEERO C=C(C)[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000290800043 655726588 /nfs/dbraw/zinc/72/65/88/655726588.db2.gz SXPMQBPPMODCLH-RVSPLBMKSA-N 1 0 322.399 3.429 10 30 DGEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1C[C@H]1c1ccccc1 ZINC000261981388 655737065 /nfs/dbraw/zinc/73/70/65/655737065.db2.gz IBBSXQGHWOGWQE-HOTGVXAUSA-N 1 0 323.396 3.131 10 30 DGEERO [NH2+]=C(NCCc1c[nH]c2ccc(F)cc12)NC1CCCCC1 ZINC000262493590 655861296 /nfs/dbraw/zinc/86/12/96/655861296.db2.gz VQFUJNLXPZZUDQ-UHFFFAOYSA-N 1 0 302.397 3.087 10 30 DGEERO C[C@@H]1CCN(Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000721596854 655861957 /nfs/dbraw/zinc/86/19/57/655861957.db2.gz HFOROJOFFCISTM-QGZVFWFLSA-N 1 0 320.440 3.050 10 30 DGEERO COc1ccc(O)c(/C=N\Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000255754643 655893333 /nfs/dbraw/zinc/89/33/33/655893333.db2.gz KEHOKCQJECXMFI-JAIQZWGSSA-N 1 0 316.376 3.221 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299986224 656231287 /nfs/dbraw/zinc/23/12/87/656231287.db2.gz MHQGLIYGCJKMBM-XUWVNRHRSA-N 1 0 321.465 3.304 10 30 DGEERO CC[NH+]=C(NCC1CC1)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261996301 657276337 /nfs/dbraw/zinc/27/63/37/657276337.db2.gz SMIZNFQZXCNVKJ-HNNXBMFYSA-N 1 0 301.434 3.254 10 30 DGEERO Oc1cccnc1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000262304626 657502407 /nfs/dbraw/zinc/50/24/07/657502407.db2.gz ABVOKVPHYRIWHM-UHFFFAOYSA-N 1 0 310.401 3.241 10 30 DGEERO [NH2+]=C(NCc1ccccc1OC(F)(F)F)NC1CCCCC1 ZINC000303769198 657561161 /nfs/dbraw/zinc/56/11/61/657561161.db2.gz AVERNPBGIKKXQN-UHFFFAOYSA-N 1 0 315.339 3.322 10 30 DGEERO [NH2+]=C(NCCCc1ccc(Cl)cc1)NCCc1cccs1 ZINC000303973076 657581687 /nfs/dbraw/zinc/58/16/87/657581687.db2.gz GOOACZBRYJETMW-UHFFFAOYSA-N 1 0 321.877 3.481 10 30 DGEERO Cc1ccc(C(C)(C)CNC(=[NH2+])NCCc2cccs2)cc1 ZINC000303990377 657585530 /nfs/dbraw/zinc/58/55/30/657585530.db2.gz YLGQJXUKHPYDIK-UHFFFAOYSA-N 1 0 315.486 3.481 10 30 DGEERO C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2OC2CCC2)C1 ZINC000304759550 657648694 /nfs/dbraw/zinc/64/86/94/657648694.db2.gz RIDSCQGWTYUUTF-CQSZACIVSA-N 1 0 301.434 3.165 10 30 DGEERO C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2OC2CCC2)C1 ZINC000304759549 657648886 /nfs/dbraw/zinc/64/88/86/657648886.db2.gz RIDSCQGWTYUUTF-AWEZNQCLSA-N 1 0 301.434 3.165 10 30 DGEERO COc1ccccc1O[C@@H](C)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000304803289 657653457 /nfs/dbraw/zinc/65/34/57/657653457.db2.gz QAKFWDBNUVFUID-AWEZNQCLSA-N 1 0 313.401 3.198 10 30 DGEERO CCCOc1cccc(CCNC(=[NH2+])NC2CCCCC2)c1 ZINC000305177490 657723456 /nfs/dbraw/zinc/72/34/56/657723456.db2.gz RHYXRIJXQKSVOE-UHFFFAOYSA-N 1 0 303.450 3.255 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)n2C)CC1 ZINC000173579292 659393324 /nfs/dbraw/zinc/39/33/24/659393324.db2.gz HUERJLWCJZAFCW-UHFFFAOYSA-N 1 0 323.440 3.072 10 30 DGEERO C#CCCOc1ccc(C[NH2+]CCc2ncc(CC)s2)cc1 ZINC000174624364 659451467 /nfs/dbraw/zinc/45/14/67/659451467.db2.gz URPMGAOMJLIISP-UHFFFAOYSA-N 1 0 314.454 3.440 10 30 DGEERO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181796349 660020393 /nfs/dbraw/zinc/02/03/93/660020393.db2.gz MPNOHTJJRMLEIB-QAPCUYQASA-N 1 0 304.434 3.427 10 30 DGEERO C#Cc1cccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000043985015 661852533 /nfs/dbraw/zinc/85/25/33/661852533.db2.gz URGJFGACTZNXMQ-GOSISDBHSA-N 1 0 307.397 3.092 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245733773 662240033 /nfs/dbraw/zinc/24/00/33/662240033.db2.gz KCHRZFRZKAKHNP-KGLIPLIRSA-N 1 0 309.417 3.061 10 30 DGEERO [NH2+]=C(NCc1ccn(C2CCCC2)n1)NC1CCCCCC1 ZINC000092278666 662328941 /nfs/dbraw/zinc/32/89/41/662328941.db2.gz LUPJRJVKEVCMKS-UHFFFAOYSA-N 1 0 303.454 3.125 10 30 DGEERO C#CCOc1ccccc1C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000092809302 662336054 /nfs/dbraw/zinc/33/60/54/662336054.db2.gz BFMYREXGQSPGDR-UHFFFAOYSA-N 1 0 323.440 3.295 10 30 DGEERO C#CC[N@@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)C1CCCC1 ZINC000093819843 662360339 /nfs/dbraw/zinc/36/03/39/662360339.db2.gz FFEYDJMOXAZDEU-OAHLLOKOSA-N 1 0 315.413 3.005 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000227675876 685117961 /nfs/dbraw/zinc/11/79/61/685117961.db2.gz SROOQJYXRRJFCP-CQSZACIVSA-N 1 0 320.433 3.254 10 30 DGEERO C=C(CC)C[NH2+]Cc1cccc(I)c1 ZINC000313503606 1177425124 /nfs/dbraw/zinc/42/51/24/1177425124.db2.gz UYWLEBCSMSGDHF-UHFFFAOYSA-N 1 0 301.171 3.347 10 30 DGEERO C#C[C@@H]([NH2+]Cc1ccc(I)cc1)C(C)C ZINC000300942038 1199395584 /nfs/dbraw/zinc/39/55/84/1199395584.db2.gz OVGBCPDBRHFRKI-CYBMUJFWSA-N 1 0 313.182 3.039 10 30 DGEERO C=CCc1cc(C[NH2+]CC(CC)(CC)CO)cc(OC)c1O ZINC000120499471 1200155272 /nfs/dbraw/zinc/15/52/72/1200155272.db2.gz JZZIXUBYCMOUMU-UHFFFAOYSA-N 1 0 307.434 3.018 10 30 DGEERO CC[NH+](CC)[C@H]1CCN(c2cc(Br)ccc2C#N)C1 ZINC000123262956 1200275203 /nfs/dbraw/zinc/27/52/03/1200275203.db2.gz BWLBRSSKCVIYRY-AWEZNQCLSA-N 1 0 322.250 3.241 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc(OC)c1O ZINC000153743621 1202596754 /nfs/dbraw/zinc/59/67/54/1202596754.db2.gz AEINDXITZYOVJB-ZACQAIPSSA-N 1 0 317.429 3.177 10 30 DGEERO N#Cc1ccc(OCCCN2CCC=C(Br)C2)cc1 ZINC000404488156 1094260022 /nfs/dbraw/zinc/26/00/22/1094260022.db2.gz YEWWLKYOJOKTDD-UHFFFAOYSA-N 1 0 321.218 3.312 10 30 DGEERO C=CC[N@@H+](CCCCC1(C)OCCO1)Cc1cccc(C#N)c1 ZINC000278567914 214242877 /nfs/dbraw/zinc/24/28/77/214242877.db2.gz IYTHTVMYRPFQRE-UHFFFAOYSA-N 1 0 314.429 3.480 10 30 DGEERO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000181755839 199347994 /nfs/dbraw/zinc/34/79/94/199347994.db2.gz WOXRTUQJMNRDJQ-AWEZNQCLSA-N 1 0 324.380 3.059 10 30 DGEERO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1cccc(C#N)c1 ZINC000181958277 199367129 /nfs/dbraw/zinc/36/71/29/199367129.db2.gz SXAJKLWNKPLSSS-ZDUSSCGKSA-N 1 0 313.426 3.090 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CCCc3cccc(F)c3)n2c1 ZINC000123706383 185834431 /nfs/dbraw/zinc/83/44/31/185834431.db2.gz SWVUTDFXHWOOCN-UHFFFAOYSA-N 1 0 308.360 3.067 10 30 DGEERO C=CCC[C@@H](C[N@H+]1CCCN(C)CC1)Oc1ccc(Cl)cn1 ZINC000106717214 432021336 /nfs/dbraw/zinc/02/13/36/432021336.db2.gz GVTIGZHAFKRCKD-INIZCTEOSA-N 1 0 323.868 3.086 10 30 DGEERO N#Cc1c(N)sc2c1CCN(c1cc[nH+]c3cc(F)ccc31)C2 ZINC000301565825 283078444 /nfs/dbraw/zinc/07/84/44/283078444.db2.gz ZCRFUSJDJPVMGE-UHFFFAOYSA-N 1 0 324.384 3.452 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000449508750 240254827 /nfs/dbraw/zinc/25/48/27/240254827.db2.gz NNBADXDXRFLBGR-RTBURBONSA-N 1 0 301.430 3.138 10 30 DGEERO COc1ccc(C[C@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000090107478 283983949 /nfs/dbraw/zinc/98/39/49/283983949.db2.gz SOELESKSUGDHJJ-HNNXBMFYSA-N 1 0 310.397 3.166 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472320545 244298073 /nfs/dbraw/zinc/29/80/73/244298073.db2.gz ORUFMNBOOIKCMV-DNVCBOLYSA-N 1 0 316.420 3.409 10 30 DGEERO C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC000172170881 296158387 /nfs/dbraw/zinc/15/83/87/296158387.db2.gz JUHLQUJXSOAQFI-HZPDHXFCSA-N 1 0 313.445 3.490 10 30 DGEERO C#CCCOc1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000264963764 204308774 /nfs/dbraw/zinc/30/87/74/204308774.db2.gz PAINSWWWCUMBOW-SFHVURJKSA-N 1 0 322.408 3.357 10 30 DGEERO CC[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126068694 284292511 /nfs/dbraw/zinc/29/25/11/284292511.db2.gz SXPVHHRIVSMYMU-IBGZPJMESA-N 1 0 319.408 3.186 10 30 DGEERO CC#CC[NH2+][C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494204463 246120876 /nfs/dbraw/zinc/12/08/76/246120876.db2.gz JTJALHYHFQLOFF-NVXWUHKLSA-N 1 0 322.811 3.142 10 30 DGEERO C[C@H](CCc1ccc(O)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC000136464214 284503000 /nfs/dbraw/zinc/50/30/00/284503000.db2.gz BFBLZSXONIQTAI-OAHLLOKOSA-N 1 0 310.397 3.254 10 30 DGEERO CC(C)N(CCC#N)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955392 183321517 /nfs/dbraw/zinc/32/15/17/183321517.db2.gz ZKWIPHWILUWQQV-AWEZNQCLSA-N 1 0 310.239 3.073 10 30 DGEERO N#Cc1ccc(O[C@H](C[NH3+])c2ccc(Br)cc2)cc1 ZINC000042956878 183322692 /nfs/dbraw/zinc/32/26/92/183322692.db2.gz LSACSUUXWSIEFB-OAHLLOKOSA-N 1 0 317.186 3.400 10 30 DGEERO N#Cc1ccc(O[C@@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000043022673 183330806 /nfs/dbraw/zinc/33/08/06/183330806.db2.gz DPAWYGHBVYNSFG-HNNXBMFYSA-N 1 0 317.186 3.400 10 30 DGEERO CCN(CCC#N)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093258 183336656 /nfs/dbraw/zinc/33/66/56/183336656.db2.gz PWWPMMPOZVSGAI-RISCZKNCSA-N 1 0 310.239 3.073 10 30 DGEERO CC[NH+]1CCC(CCNc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450354356 535451792 /nfs/dbraw/zinc/45/17/92/535451792.db2.gz LGELRSUWVDRTGZ-UHFFFAOYSA-N 1 0 302.378 3.000 10 30 DGEERO CC[N@H+](CCc1nccs1)Cc1ccc(C#N)cc1OC ZINC000121586402 195311096 /nfs/dbraw/zinc/31/10/96/195311096.db2.gz HBRKYANRCMYUON-UHFFFAOYSA-N 1 0 301.415 3.088 10 30 DGEERO Cc1ccc(CC[NH2+]Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000123467133 195585593 /nfs/dbraw/zinc/58/55/93/195585593.db2.gz AJTNFDMVRUGHMI-UHFFFAOYSA-N 1 0 304.397 3.155 10 30 DGEERO CC[NH+]1CCN(c2ccccc2NCc2cccc(C#N)c2)CC1 ZINC000128306744 195953862 /nfs/dbraw/zinc/95/38/62/195953862.db2.gz QRZMKHRNKNRYQH-UHFFFAOYSA-N 1 0 320.440 3.312 10 30 DGEERO COc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1C#N ZINC000328621962 533671911 /nfs/dbraw/zinc/67/19/11/533671911.db2.gz ICJMYWKLCOUQFM-YLJYHZDGSA-N 1 0 322.408 3.434 10 30 DGEERO CCCC[C@H](CC)CNC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1 ZINC000001575903 400081356 /nfs/dbraw/zinc/08/13/56/400081356.db2.gz GTUKASDQQQBPKX-LBPRGKRZSA-N 1 0 323.872 3.407 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000091506492 400125229 /nfs/dbraw/zinc/12/52/29/400125229.db2.gz HPYIZOASQRFRIR-MRXNPFEDSA-N 1 0 316.445 3.198 10 30 DGEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(Br)c(C#N)cc1F ZINC000600676705 400126600 /nfs/dbraw/zinc/12/66/00/400126600.db2.gz ZYYGPPCENKDPEC-NWDGAFQWSA-N 1 0 312.186 3.012 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000091623583 400128084 /nfs/dbraw/zinc/12/80/84/400128084.db2.gz UZFLUZKXDHIGMA-CQSZACIVSA-N 1 0 312.408 3.141 10 30 DGEERO Cn1ccnc1C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000610512292 400268035 /nfs/dbraw/zinc/26/80/35/400268035.db2.gz PZKFQWPDWDJKPW-QGZVFWFLSA-N 1 0 322.437 3.427 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000617041924 400291567 /nfs/dbraw/zinc/29/15/67/400291567.db2.gz KZSQCPMFWBNYGP-NVXWUHKLSA-N 1 0 301.434 3.159 10 30 DGEERO C[C@@H](NCc1csc(-c2cnn(C)c2)n1)c1ccc(C#N)cc1 ZINC000611381642 400387466 /nfs/dbraw/zinc/38/74/66/400387466.db2.gz WGBLPMDISIUUFU-GFCCVEGCSA-N 1 0 323.425 3.266 10 30 DGEERO Cc1csc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000042656156 400438727 /nfs/dbraw/zinc/43/87/27/400438727.db2.gz ZAFDCUGFXSBGSB-UHFFFAOYSA-N 1 0 312.442 3.036 10 30 DGEERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000123183053 400466246 /nfs/dbraw/zinc/46/62/46/400466246.db2.gz OFJLEFJRZSRRQP-OAHLLOKOSA-N 1 0 313.445 3.242 10 30 DGEERO COc1cc(/C=[N+](\C)O)ccc1OCc1ccccc1Cl ZINC000617913083 400475194 /nfs/dbraw/zinc/47/51/94/400475194.db2.gz GEGJSPBAMWUWAE-VCHYOVAHSA-N 1 0 306.769 3.378 10 30 DGEERO C=CCC(C)(C)C[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602675668 400535720 /nfs/dbraw/zinc/53/57/20/400535720.db2.gz NPCPTWVFSRINBD-UHFFFAOYSA-N 1 0 307.438 3.067 10 30 DGEERO C=CCOCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602708869 400546693 /nfs/dbraw/zinc/54/66/93/400546693.db2.gz DUJWDBKUHGMNFU-UHFFFAOYSA-N 1 0 318.295 3.296 10 30 DGEERO C=CC[NH+](CC=C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000046345448 400560695 /nfs/dbraw/zinc/56/06/95/400560695.db2.gz VAFBYNFXDSKMHX-LBPRGKRZSA-N 1 0 316.228 3.407 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000076737094 400669572 /nfs/dbraw/zinc/66/95/72/400669572.db2.gz AKVZQYUREDEEFE-CQSZACIVSA-N 1 0 304.459 3.412 10 30 DGEERO Cc1cc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)ccc1C#N ZINC000618751543 400682715 /nfs/dbraw/zinc/68/27/15/400682715.db2.gz GMGAJYDZCHGKSG-QGZVFWFLSA-N 1 0 321.428 3.173 10 30 DGEERO C=CCCC[N@@H+](C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000077176953 400692332 /nfs/dbraw/zinc/69/23/32/400692332.db2.gz VDBVVJFFLWOXSJ-IEBWSBKVSA-N 1 0 303.446 3.340 10 30 DGEERO C=CCC1(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000619110241 400772145 /nfs/dbraw/zinc/77/21/45/400772145.db2.gz BTNCDRVFQKYQJX-UHFFFAOYSA-N 1 0 312.457 3.440 10 30 DGEERO C=C(C)COc1cccc(NC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000171274738 400792711 /nfs/dbraw/zinc/79/27/11/400792711.db2.gz NULAEWGSGRBESK-UHFFFAOYSA-N 1 0 317.433 3.199 10 30 DGEERO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC(=O)OC)c2)C1 ZINC000593598386 400879387 /nfs/dbraw/zinc/87/93/87/400879387.db2.gz QDROUCTUWGRMLI-ZBFHGGJFSA-N 1 0 303.402 3.073 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000194127379 400919436 /nfs/dbraw/zinc/91/94/36/400919436.db2.gz QZZWFQHYLQYOQP-KRWDZBQOSA-N 1 0 319.836 3.143 10 30 DGEERO C=C(C)C[C@H]([NH3+])c1ccc(F)cc1I ZINC000232459238 400972137 /nfs/dbraw/zinc/97/21/37/400972137.db2.gz YXGJCZZQFFQIDY-NSHDSACASA-N 1 0 305.134 3.396 10 30 DGEERO C#CC[C@@H]([NH3+])c1ccc(Br)cc1Br ZINC000236316037 400978209 /nfs/dbraw/zinc/97/82/09/400978209.db2.gz PWGPELCIQOMTJD-SNVBAGLBSA-N 1 0 302.997 3.235 10 30 DGEERO C#CC[C@H]([NH3+])c1cc(Br)sc1Br ZINC000236304943 400978459 /nfs/dbraw/zinc/97/84/59/400978459.db2.gz WMOUGWPOEWKYGX-LURJTMIESA-N 1 0 309.026 3.296 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000625701491 401186210 /nfs/dbraw/zinc/18/62/10/401186210.db2.gz KGTVOJUMRANNGN-INIZCTEOSA-N 1 0 307.459 3.057 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccccc2OC)C1 ZINC000625701406 401186671 /nfs/dbraw/zinc/18/66/71/401186671.db2.gz RDVYEXHVRMMTEZ-CVEARBPZSA-N 1 0 316.445 3.113 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(SC)cc2)C1 ZINC000625703982 401187598 /nfs/dbraw/zinc/18/75/98/401187598.db2.gz QIZYIYJJMWIUKE-HNNXBMFYSA-N 1 0 318.486 3.265 10 30 DGEERO C=CCC[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)c1ccccc1 ZINC000634708866 401338012 /nfs/dbraw/zinc/33/80/12/401338012.db2.gz AETFSXKSWCPALH-FHWLQOOXSA-N 1 0 303.446 3.196 10 30 DGEERO C=CCC[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)c1ccccc1 ZINC000634708865 401338167 /nfs/dbraw/zinc/33/81/67/401338167.db2.gz AETFSXKSWCPALH-CEXWTWQISA-N 1 0 303.446 3.196 10 30 DGEERO C=CCC[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccccc1 ZINC000634971956 401392916 /nfs/dbraw/zinc/39/29/16/401392916.db2.gz KFTSWXWJLLBHER-SJORKVTESA-N 1 0 307.459 3.251 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000623466478 401524473 /nfs/dbraw/zinc/52/44/73/401524473.db2.gz AUHIXSTXCNVEMS-SJORKVTESA-N 1 0 307.482 3.106 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000623342920 401494830 /nfs/dbraw/zinc/49/48/30/401494830.db2.gz VJIWTKYDZRCALX-CVEARBPZSA-N 1 0 317.433 3.024 10 30 DGEERO C=CC(C)(C)CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000623342521 401495075 /nfs/dbraw/zinc/49/50/75/401495075.db2.gz DKOLMGRDTDGYDK-OAHLLOKOSA-N 1 0 319.449 3.318 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000632061341 401575101 /nfs/dbraw/zinc/57/51/01/401575101.db2.gz NPHXPZWXWVPCPZ-UHFFFAOYSA-N 1 0 304.478 3.457 10 30 DGEERO C=CC(C)(C)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000628315523 401575128 /nfs/dbraw/zinc/57/51/28/401575128.db2.gz NZPQJDVGDCHCOL-UHFFFAOYSA-N 1 0 315.461 3.325 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406125 401591881 /nfs/dbraw/zinc/59/18/81/401591881.db2.gz CKQITKJUFBGYGE-LSDHHAIUSA-N 1 0 307.459 3.092 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000628406345 401591928 /nfs/dbraw/zinc/59/19/28/401591928.db2.gz HXPKMEKOYIVVBT-SJORKVTESA-N 1 0 300.446 3.310 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2OCC(F)(F)F)C1 ZINC000628405642 401592157 /nfs/dbraw/zinc/59/21/57/401592157.db2.gz QIMHBBOWKUXEOJ-LBPRGKRZSA-N 1 0 317.355 3.068 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C/C=C\C)C2)CC1 ZINC000623579165 401550223 /nfs/dbraw/zinc/55/02/23/401550223.db2.gz POQZFTJYASMXSN-VGOKWCNXSA-N 1 0 319.493 3.415 10 30 DGEERO C=CCC[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)C1CC1 ZINC000624102570 401626168 /nfs/dbraw/zinc/62/61/68/401626168.db2.gz BBTRTALWXWEMID-OAHLLOKOSA-N 1 0 317.420 3.278 10 30 DGEERO C=CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cc1 ZINC000632880446 401634840 /nfs/dbraw/zinc/63/48/40/401634840.db2.gz QPFDPOMHVMDYNR-OAHLLOKOSA-N 1 0 322.408 3.029 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NCc2csc(C)c2C)CC1 ZINC000632986874 401644817 /nfs/dbraw/zinc/64/48/17/401644817.db2.gz OBXRJJQRQXEVCY-UHFFFAOYSA-N 1 0 321.490 3.205 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623959113 401605488 /nfs/dbraw/zinc/60/54/88/401605488.db2.gz HPGQWKAPJVIOBB-KOLCDFICSA-N 1 0 322.758 3.211 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000628486368 401606902 /nfs/dbraw/zinc/60/69/02/401606902.db2.gz HCIXTBUTJINTLM-QGZVFWFLSA-N 1 0 312.457 3.323 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000624038154 401616578 /nfs/dbraw/zinc/61/65/78/401616578.db2.gz TVYMMZOSPOUIMO-CYBMUJFWSA-N 1 0 310.463 3.311 10 30 DGEERO C=C1CC(C)(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000632701593 401620435 /nfs/dbraw/zinc/62/04/35/401620435.db2.gz LTHZCNIKSFJLSW-DOTOQJQBSA-N 1 0 300.446 3.459 10 30 DGEERO C=CCCC(C)(C)CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000633191240 401658897 /nfs/dbraw/zinc/65/88/97/401658897.db2.gz PLAUMIHJZXOUHA-UHFFFAOYSA-N 1 0 307.482 3.152 10 30 DGEERO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1C[C@@H]1C ZINC000629107818 401663654 /nfs/dbraw/zinc/66/36/54/401663654.db2.gz YTJGXRNSEVMJNB-LSDHHAIUSA-N 1 0 320.506 3.241 10 30 DGEERO CC(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000185365251 165001882 /nfs/dbraw/zinc/00/18/82/165001882.db2.gz IBRRDBYEWTXKBF-INIZCTEOSA-N 1 0 315.461 3.131 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187232224 165083252 /nfs/dbraw/zinc/08/32/52/165083252.db2.gz ZXOXYTQVTUOCFR-BEFAXECRSA-N 1 0 321.424 3.288 10 30 DGEERO N#Cc1ccccc1Cn1cccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188569930 165129068 /nfs/dbraw/zinc/12/90/68/165129068.db2.gz BBJOWDBYACRKGX-AQNXPRMDSA-N 1 0 321.424 3.065 10 30 DGEERO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195358652 165367726 /nfs/dbraw/zinc/36/77/26/165367726.db2.gz YICIHGZEVBJYGU-HNNXBMFYSA-N 1 0 313.426 3.273 10 30 DGEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(Br)cc1C#N ZINC000229255348 165392140 /nfs/dbraw/zinc/39/21/40/165392140.db2.gz PJNCWNJJJATWGN-CYBMUJFWSA-N 1 0 310.239 3.130 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000171698836 432162085 /nfs/dbraw/zinc/16/20/85/432162085.db2.gz COMXPNSSYWTNCR-HNNXBMFYSA-N 1 0 315.461 3.260 10 30 DGEERO Cc1nccn1CCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000130439701 227020959 /nfs/dbraw/zinc/02/09/59/227020959.db2.gz VLVYBGFGMZHGHI-UHFFFAOYSA-N 1 0 301.821 3.219 10 30 DGEERO [NH2+]=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)NC1CCCCC1 ZINC000262788146 228647376 /nfs/dbraw/zinc/64/73/76/228647376.db2.gz KCQYZTFRMVMQCU-SMDDNHRTSA-N 1 0 311.351 3.197 10 30 DGEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1CCC12CCCC2 ZINC000263287044 228649826 /nfs/dbraw/zinc/64/98/26/228649826.db2.gz UZFOLFJOURDUPT-MRXNPFEDSA-N 1 0 315.417 3.297 10 30 DGEERO N#C[C@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000342774695 229117501 /nfs/dbraw/zinc/11/75/01/229117501.db2.gz DVVYBBXJPLTZIS-NWJVMNJYSA-N 1 0 309.457 3.464 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182883038 432238150 /nfs/dbraw/zinc/23/81/50/432238150.db2.gz CDFRKFGOQVQCKB-CVEARBPZSA-N 1 0 307.482 3.247 10 30 DGEERO C=CC[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000353152788 277872746 /nfs/dbraw/zinc/87/27/46/277872746.db2.gz IQJLXTREKKQSKL-CQSZACIVSA-N 1 0 312.207 3.003 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000076735992 431561676 /nfs/dbraw/zinc/56/16/76/431561676.db2.gz SOEQPCXPOWGZMR-HNNXBMFYSA-N 1 0 313.445 3.113 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000076734259 431562044 /nfs/dbraw/zinc/56/20/44/431562044.db2.gz WNLMSCTVKLNJAN-ZDUSSCGKSA-N 1 0 310.388 3.382 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000076733861 431562187 /nfs/dbraw/zinc/56/21/87/431562187.db2.gz FCPNJXJBTQBSNR-AWEZNQCLSA-N 1 0 318.417 3.073 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000076734441 431562856 /nfs/dbraw/zinc/56/28/56/431562856.db2.gz JPITZEMDSPEJEN-OAHLLOKOSA-N 1 0 317.408 3.359 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000122216278 280316399 /nfs/dbraw/zinc/31/63/99/280316399.db2.gz LZVXHMAJBNSFHU-MRXNPFEDSA-N 1 0 321.424 3.117 10 30 DGEERO C=CCCC[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000121041891 431740015 /nfs/dbraw/zinc/74/00/15/431740015.db2.gz BAGHLWXERBPJII-UHFFFAOYSA-N 1 0 303.374 3.081 10 30 DGEERO COc1cc(C#N)ccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000121053788 431740215 /nfs/dbraw/zinc/74/02/15/431740215.db2.gz FRCBHWWAXXDNMF-GOSISDBHSA-N 1 0 314.429 3.490 10 30 DGEERO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000121159762 431746864 /nfs/dbraw/zinc/74/68/64/431746864.db2.gz AUGFTCJGDSOPHS-UHFFFAOYSA-N 1 0 324.424 3.243 10 30 DGEERO C=CCOc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000121157664 431747800 /nfs/dbraw/zinc/74/78/00/431747800.db2.gz BQYNZMOVHRWYDF-PBHICJAKSA-N 1 0 317.433 3.102 10 30 DGEERO Cc1cc[n+](CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 ZINC000029241844 431717134 /nfs/dbraw/zinc/71/71/34/431717134.db2.gz RIFSRJJWAFAYSV-HNNXBMFYSA-N 1 0 313.446 3.200 10 30 DGEERO C=C(C)COCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000119934485 431719786 /nfs/dbraw/zinc/71/97/86/431719786.db2.gz UXQJALNURGPBKJ-UHFFFAOYSA-N 1 0 302.187 3.271 10 30 DGEERO C=CCOc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000122073837 431810765 /nfs/dbraw/zinc/81/07/65/431810765.db2.gz YWLZXAYFDVQFOW-UHFFFAOYSA-N 1 0 324.424 3.129 10 30 DGEERO CC(C)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1cccs1 ZINC000123774027 431873842 /nfs/dbraw/zinc/87/38/42/431873842.db2.gz LQWGJPODNBZXBV-UHFFFAOYSA-N 1 0 310.426 3.335 10 30 DGEERO Cc1ccccc1OCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123659211 431870759 /nfs/dbraw/zinc/87/07/59/431870759.db2.gz GJHMHDFIUMJQJJ-UHFFFAOYSA-N 1 0 320.396 3.073 10 30 DGEERO N#C[C@@H]1CCC[C@H]1NCc1cc(Br)cc2c1OCC2 ZINC000122406626 431831638 /nfs/dbraw/zinc/83/16/38/431831638.db2.gz MJTZZEUFHCNQFK-SMDDNHRTSA-N 1 0 321.218 3.166 10 30 DGEERO N#Cc1ccc2ncc(C[N@H+](C[C@H]3CCCO3)C3CCCC3)n2c1 ZINC000093665875 431916949 /nfs/dbraw/zinc/91/69/49/431916949.db2.gz ARAONUKHTYIONE-GOSISDBHSA-N 1 0 324.428 3.130 10 30 DGEERO C[C@H](c1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136867 431979086 /nfs/dbraw/zinc/97/90/86/431979086.db2.gz CDSDWUWRIRCWFV-MRXNPFEDSA-N 1 0 306.413 3.227 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000151770211 432275814 /nfs/dbraw/zinc/27/58/14/432275814.db2.gz KVANLDNIZRZRPD-AWEZNQCLSA-N 1 0 324.380 3.059 10 30 DGEERO C=CC[N@H+](Cc1cccs1)C[C@@H](O)COCc1ccccc1 ZINC000057950456 431995147 /nfs/dbraw/zinc/99/51/47/431995147.db2.gz PPTFDTNRQSRUPL-QGZVFWFLSA-N 1 0 317.454 3.314 10 30 DGEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000248745841 432316265 /nfs/dbraw/zinc/31/62/65/432316265.db2.gz BBDTVONDZAPHPO-MGPQQGTHSA-N 1 0 305.372 3.215 10 30 DGEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000248745844 432316294 /nfs/dbraw/zinc/31/62/94/432316294.db2.gz BBDTVONDZAPHPO-RDBSUJKOSA-N 1 0 305.372 3.215 10 30 DGEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000248880893 432325431 /nfs/dbraw/zinc/32/54/31/432325431.db2.gz DEXQGYPYZAAZDF-RHSMWYFYSA-N 1 0 321.428 3.425 10 30 DGEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000248894198 432327352 /nfs/dbraw/zinc/32/73/52/432327352.db2.gz GIVGHZQFVRKYFY-FSPWUOQZSA-N 1 0 312.438 3.389 10 30 DGEERO N#Cc1ccccc1Cn1cccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249114999 432340067 /nfs/dbraw/zinc/34/00/67/432340067.db2.gz BBJOWDBYACRKGX-ZCNNSNEGSA-N 1 0 321.424 3.065 10 30 DGEERO C[N@H+](CC#Cc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000191897052 432311023 /nfs/dbraw/zinc/31/10/23/432311023.db2.gz COJDQHIDXSROMI-UHFFFAOYSA-N 1 0 320.436 3.007 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000192680458 432399251 /nfs/dbraw/zinc/39/92/51/432399251.db2.gz HKRGENDFNRLEEE-OLZOCXBDSA-N 1 0 305.447 3.130 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000263225964 432526995 /nfs/dbraw/zinc/52/69/95/432526995.db2.gz GNCFUNNOEZCTFL-INIZCTEOSA-N 1 0 312.417 3.152 10 30 DGEERO C[NH+]=C(NCc1csc(-c2ccccc2)n1)NC1CCCC1 ZINC000263263150 432529791 /nfs/dbraw/zinc/52/97/91/432529791.db2.gz UCNMELYSZPPNNU-UHFFFAOYSA-N 1 0 314.458 3.418 10 30 DGEERO C=C(C)[C@@H]([NH2+]C[C@@H](O)COCCCC)c1ccc(F)c(F)c1 ZINC000195219701 432612115 /nfs/dbraw/zinc/61/21/15/432612115.db2.gz CMQDATWUIGHLRF-RHSMWYFYSA-N 1 0 313.388 3.349 10 30 DGEERO CC[NH+](CC)C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177353190 432615383 /nfs/dbraw/zinc/61/53/83/432615383.db2.gz JKPOUFXZFDPXSH-QGZVFWFLSA-N 1 0 304.865 3.355 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186213628 432570076 /nfs/dbraw/zinc/57/00/76/432570076.db2.gz YBMUUJSNDIHYHJ-INIZCTEOSA-N 1 0 310.441 3.123 10 30 DGEERO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000186309442 432581022 /nfs/dbraw/zinc/58/10/22/432581022.db2.gz JGXNBRKGZOHJJV-KRWDZBQOSA-N 1 0 321.428 3.173 10 30 DGEERO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000186317810 432581245 /nfs/dbraw/zinc/58/12/45/432581245.db2.gz JBLBEKPKNNSXDU-AWEZNQCLSA-N 1 0 308.381 3.489 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000273412458 432595866 /nfs/dbraw/zinc/59/58/66/432595866.db2.gz IAZYPYKOUJKWIP-HZMBPMFUSA-N 1 0 314.198 3.102 10 30 DGEERO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000186999083 432641581 /nfs/dbraw/zinc/64/15/81/432641581.db2.gz WOMOCNNMQVXQJZ-CYBMUJFWSA-N 1 0 318.396 3.083 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189360289 432781731 /nfs/dbraw/zinc/78/17/31/432781731.db2.gz LJUIIWSURKIANU-QGZVFWFLSA-N 1 0 322.399 3.354 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1OC ZINC000189717042 432812813 /nfs/dbraw/zinc/81/28/13/432812813.db2.gz NIYVVKSSQRJJNA-OAHLLOKOSA-N 1 0 305.418 3.307 10 30 DGEERO C#CCC(CC#C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000277566428 432861317 /nfs/dbraw/zinc/86/13/17/432861317.db2.gz XSPPNSJWFXBTFF-UHFFFAOYSA-N 1 0 322.452 3.316 10 30 DGEERO N#Cc1cccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245827396 432864541 /nfs/dbraw/zinc/86/45/41/432864541.db2.gz FUOZSBBJJYMIIV-DLBZAZTESA-N 1 0 302.443 3.045 10 30 DGEERO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000245536400 432840217 /nfs/dbraw/zinc/84/02/17/432840217.db2.gz HXPJIAAJNGKBGO-RBUKOAKNSA-N 1 0 313.445 3.180 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268157744 432850771 /nfs/dbraw/zinc/85/07/71/432850771.db2.gz GLHCFFLHLHPHHH-UHFFFAOYSA-N 1 0 323.368 3.195 10 30 DGEERO C=CCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245708501 432857930 /nfs/dbraw/zinc/85/79/30/432857930.db2.gz SKIMLDGYAYWJBV-DOTOQJQBSA-N 1 0 308.372 3.183 10 30 DGEERO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000330251643 432900175 /nfs/dbraw/zinc/90/01/75/432900175.db2.gz HUZDEOUXYNMGSG-JDFRZJQESA-N 1 0 318.417 3.137 10 30 DGEERO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1C ZINC000330259184 432901319 /nfs/dbraw/zinc/90/13/19/432901319.db2.gz NFRKUMNIWAGNHL-POZUXBRTSA-N 1 0 316.445 3.478 10 30 DGEERO C#Cc1ccccc1CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000290014269 432983267 /nfs/dbraw/zinc/98/32/67/432983267.db2.gz ZTXCGMAOHWWASJ-UHFFFAOYSA-N 1 0 318.420 3.445 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453340848 433103826 /nfs/dbraw/zinc/10/38/26/433103826.db2.gz CQFRVAJNFGCVBN-UHOSZYNNSA-N 1 0 309.413 3.183 10 30 DGEERO N#Cc1cnc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000290596233 433109166 /nfs/dbraw/zinc/10/91/66/433109166.db2.gz BPOBHCPNEARQSM-QGZVFWFLSA-N 1 0 321.428 3.062 10 30 DGEERO N#CC1CCC(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000361442356 433174044 /nfs/dbraw/zinc/17/40/44/433174044.db2.gz HEPFVHFOERFBFD-UHFFFAOYSA-N 1 0 317.399 3.323 10 30 DGEERO COc1ccc(CN2CCC=C(Br)C2)cc1C#N ZINC000281588066 433313743 /nfs/dbraw/zinc/31/37/43/433313743.db2.gz GRFPDMZKOVLJEL-UHFFFAOYSA-N 1 0 307.191 3.051 10 30 DGEERO COc1cc(C[NH2+][C@@H](C)COCc2ccccc2)ccc1C#N ZINC000281750121 433369974 /nfs/dbraw/zinc/36/99/74/433369974.db2.gz QXQIIMWBZGUDLN-HNNXBMFYSA-N 1 0 310.397 3.262 10 30 DGEERO C=CCCCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000448236669 433376403 /nfs/dbraw/zinc/37/64/03/433376403.db2.gz CMOFDGNXMMQLDQ-UHFFFAOYSA-N 1 0 307.482 3.250 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000448368591 433396392 /nfs/dbraw/zinc/39/63/92/433396392.db2.gz WSUSYGHBZLLREA-FCEWJHQRSA-N 1 0 317.429 3.020 10 30 DGEERO C=CCc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc(OC)c1O ZINC000375300376 433418013 /nfs/dbraw/zinc/41/80/13/433418013.db2.gz AGVMPPLZZJOHNC-LJQANCHMSA-N 1 0 317.429 3.132 10 30 DGEERO C#CC[C@@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000362118550 433532672 /nfs/dbraw/zinc/53/26/72/433532672.db2.gz OPWVHPWAGDBCKY-GOSISDBHSA-N 1 0 302.381 3.326 10 30 DGEERO C=CCOc1ccccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000414468976 433632790 /nfs/dbraw/zinc/63/27/90/433632790.db2.gz HRHGEIZMCDBOJW-UHFFFAOYSA-N 1 0 309.413 3.421 10 30 DGEERO C=C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000362368292 433663604 /nfs/dbraw/zinc/66/36/04/433663604.db2.gz ACRAJCUMKWLSCZ-GUTXKFCHSA-N 1 0 307.463 3.005 10 30 DGEERO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000283190684 433685462 /nfs/dbraw/zinc/68/54/62/433685462.db2.gz KNSWNXILUVXMMU-UONOGXRCSA-N 1 0 317.433 3.464 10 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/nfs/dbraw/zinc/12/02/32/434120232.db2.gz BNPZCFIWRPXYOZ-HFTRVMKXSA-N 1 0 316.445 3.288 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000286001764 434131632 /nfs/dbraw/zinc/13/16/32/434131632.db2.gz OWVDXDUXGSZBRA-UWVGGRQHSA-N 1 0 304.253 3.407 10 30 DGEERO C=CCCC[C@H](C)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000378447997 434186854 /nfs/dbraw/zinc/18/68/54/434186854.db2.gz JYALGUGDFIRNOD-INIZCTEOSA-N 1 0 315.461 3.467 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1[nH]ccc1C1CC1)C(C)C ZINC000457550433 434232538 /nfs/dbraw/zinc/23/25/38/434232538.db2.gz CHNNJNFBFPZJPK-KRWDZBQOSA-N 1 0 315.461 3.321 10 30 DGEERO C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328643158 434293398 /nfs/dbraw/zinc/29/33/98/434293398.db2.gz GFDAZTXVMANUOE-KFWWJZLASA-N 1 0 309.454 3.353 10 30 DGEERO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000328775821 434309850 /nfs/dbraw/zinc/30/98/50/434309850.db2.gz IAFYTVGDLFIRLL-DZGCQCFKSA-N 1 0 307.438 3.249 10 30 DGEERO C=C(CC)C[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000358506208 434394257 /nfs/dbraw/zinc/39/42/57/434394257.db2.gz JEDWQYDOAADBMF-CYBMUJFWSA-N 1 0 306.372 3.075 10 30 DGEERO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358580494 434397900 /nfs/dbraw/zinc/39/79/00/434397900.db2.gz XYFUVJMDMOUBSX-MLGOLLRUSA-N 1 0 316.351 3.091 10 30 DGEERO C=C(Br)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000368065724 434566449 /nfs/dbraw/zinc/56/64/49/434566449.db2.gz UUIRGWWMTKBLQP-UONOGXRCSA-N 1 0 313.214 3.069 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000424165260 434640736 /nfs/dbraw/zinc/64/07/36/434640736.db2.gz AMGRMBBOMSTQIG-LPHOPBHVSA-N 1 0 311.429 3.170 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000424172294 434644771 /nfs/dbraw/zinc/64/47/71/434644771.db2.gz LMVQDSSKGPLFHB-JSGCOSHPSA-N 1 0 301.308 3.266 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000424292598 434681332 /nfs/dbraw/zinc/68/13/32/434681332.db2.gz GZUCWJVRVURVEK-YCPHGPKFSA-N 1 0 305.418 3.254 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000424296656 434682173 /nfs/dbraw/zinc/68/21/73/434682173.db2.gz PBZJDUZLTRWXCA-OTWHNJEPSA-N 1 0 303.446 3.409 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000424295169 434682721 /nfs/dbraw/zinc/68/27/21/434682721.db2.gz MIENKHSGVGHQQP-OTRWWLKZSA-N 1 0 319.445 3.377 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000424300479 434684974 /nfs/dbraw/zinc/68/49/74/434684974.db2.gz XWLRKFLMGSDVCQ-IEZWGBDMSA-N 1 0 311.429 3.173 10 30 DGEERO C=CCCC[C@H](C)[NH2+][C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000361085684 434793550 /nfs/dbraw/zinc/79/35/50/434793550.db2.gz FQRVJOYHKMLUBW-BBRMVZONSA-N 1 0 310.463 3.120 10 30 DGEERO C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000372384866 434820471 /nfs/dbraw/zinc/82/04/71/434820471.db2.gz MZVKIOHDLLCADO-HOTGVXAUSA-N 1 0 306.450 3.121 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463029384 434941443 /nfs/dbraw/zinc/94/14/43/434941443.db2.gz OJBVZJSLIMFKPK-NRFANRHFSA-N 1 0 323.436 3.387 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000528547426 435025970 /nfs/dbraw/zinc/02/59/70/435025970.db2.gz XGYAGNFMBIYJCH-KBAYOESNSA-N 1 0 314.429 3.022 10 30 DGEERO C=CCN1CC[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743954 435027613 /nfs/dbraw/zinc/02/76/13/435027613.db2.gz IJGMXWWAFYDYKP-SJORKVTESA-N 1 0 316.420 3.181 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000566216704 435284286 /nfs/dbraw/zinc/28/42/86/435284286.db2.gz CGPCEODXGLJENR-QRVBRYPASA-N 1 0 312.457 3.117 10 30 DGEERO COc1cc2c(cc1C[NH2+]CC1CCC(C#N)CC1)O[C@@H](C)C2 ZINC000562515528 435261421 /nfs/dbraw/zinc/26/14/21/435261421.db2.gz AFUOXKJUJYSDEB-NFOMZHRRSA-N 1 0 314.429 3.438 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(Cl)cn1)c1ccc(C#N)cc1F ZINC000512674162 435366681 /nfs/dbraw/zinc/36/66/81/435366681.db2.gz VFJISKFNUFQATB-LLVKDONJSA-N 1 0 319.767 3.475 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000568881230 435480133 /nfs/dbraw/zinc/48/01/33/435480133.db2.gz PWBVYUUCKAUHNF-FUHWJXTLSA-N 1 0 319.493 3.391 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000568910870 435482077 /nfs/dbraw/zinc/48/20/77/435482077.db2.gz IPKHBRODBLEVLO-QGZVFWFLSA-N 1 0 313.372 3.484 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000538364780 435495573 /nfs/dbraw/zinc/49/55/73/435495573.db2.gz JOHSYAOUTCMDSK-AEFFLSMTSA-N 1 0 317.477 3.203 10 30 DGEERO C=C[C@H]1CCCCN1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489447079 435649837 /nfs/dbraw/zinc/64/98/37/435649837.db2.gz JOOKRWSRJCLJQS-WCWCZOKXSA-N 1 0 302.462 3.112 10 30 DGEERO CC1CC[NH+]([C@@H](CNc2ccncc2C#N)c2ccccc2)CC1 ZINC000548154526 435672984 /nfs/dbraw/zinc/67/29/84/435672984.db2.gz ZCNMBWKUSRKHNQ-FQEVSTJZSA-N 1 0 320.440 3.260 10 30 DGEERO N#Cc1cnccc1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000548480213 435697085 /nfs/dbraw/zinc/69/70/85/435697085.db2.gz CVIMNEUJZNLUNO-UHFFFAOYSA-N 1 0 320.440 3.363 10 30 DGEERO N#Cc1cnccc1Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000548480131 314451447 /nfs/dbraw/zinc/45/14/47/314451447.db2.gz WIDDCYBQZCTMTO-UHFFFAOYSA-N 1 0 324.453 3.288 10 30 DGEERO COc1ccc([C@@H](C)C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000182480644 323301469 /nfs/dbraw/zinc/30/14/69/323301469.db2.gz BSXVQEMJCHLGPI-HNNXBMFYSA-N 1 0 310.397 3.339 10 30 DGEERO C=CCOc1ccc(C[NH2+]C2(CC(=O)OC)CC2)cc1Cl ZINC000572771783 332784385 /nfs/dbraw/zinc/78/43/85/332784385.db2.gz UKKLHLQXXDETNS-UHFFFAOYSA-N 1 0 309.793 3.090 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000186713874 332943737 /nfs/dbraw/zinc/94/37/37/332943737.db2.gz BRNZVZPXBMYORD-SWLSCSKDSA-N 1 0 319.836 3.422 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CC(N)=O)cc1Cl ZINC000092588326 332134774 /nfs/dbraw/zinc/13/47/74/332134774.db2.gz ZWMXSSGACLXEEU-AWEZNQCLSA-N 1 0 322.836 3.135 10 30 DGEERO CN(CC#CC[N@H+](C)Cc1cccs1)Cc1cccs1 ZINC000560155850 332314950 /nfs/dbraw/zinc/31/49/50/332314950.db2.gz ZEQBGDCBOURTOL-UHFFFAOYSA-N 1 0 304.484 3.377 10 30 DGEERO C=CCCCC[NH+]1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000570016213 332702650 /nfs/dbraw/zinc/70/26/50/332702650.db2.gz MTVWRBKNESKMSZ-UHFFFAOYSA-N 1 0 319.449 3.361 10 30 DGEERO C=CC[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000188530174 333371718 /nfs/dbraw/zinc/37/17/18/333371718.db2.gz LQOMNSPZZUPOMN-SZMVWBNQSA-N 1 0 300.446 3.191 10 30 DGEERO S=C(NCCC[NH2+]CCS)Nc1cccc2ccccc21 ZINC000584650871 337380925 /nfs/dbraw/zinc/38/09/25/337380925.db2.gz GZPYJSQVMXGDTB-UHFFFAOYSA-N 1 0 319.499 3.036 10 30 DGEERO CCO[C@@H]1C[C@H](NC(N[C@H](C)c2ccc(C)o2)=[NH+]C)C12CCC2 ZINC000262428700 337617713 /nfs/dbraw/zinc/61/77/13/337617713.db2.gz SCIVEMASJFOSDB-VNQPRFMTSA-N 1 0 319.449 3.162 10 30 DGEERO C[C@H]1CCCN(C(=[NH2+])N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)C1 ZINC000262439342 337618088 /nfs/dbraw/zinc/61/80/88/337618088.db2.gz HHABBDOWVCMALC-TUKIKUTGSA-N 1 0 323.387 3.191 10 30 DGEERO CC[NH+]=C(N[C@H](C)c1ccc(C)o1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262452179 337618219 /nfs/dbraw/zinc/61/82/19/337618219.db2.gz WDONPIKIGNKGCU-CLWVCHIJSA-N 1 0 319.449 3.018 10 30 DGEERO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2nc(C)no2)cc1 ZINC000089517838 337870330 /nfs/dbraw/zinc/87/03/30/337870330.db2.gz CGICXBSVEZSCFK-LBPRGKRZSA-N 1 0 321.808 3.403 10 30 DGEERO C=C(C)CC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000509312394 340266043 /nfs/dbraw/zinc/26/60/43/340266043.db2.gz CLRXONOOBBVGPZ-UHFFFAOYSA-N 1 0 308.853 3.303 10 30 DGEERO C=CCC[C@@H](CC)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000510993949 340317399 /nfs/dbraw/zinc/31/73/99/340317399.db2.gz PARPSCMKZVQKAG-SJORKVTESA-N 1 0 316.445 3.001 10 30 DGEERO CC#CC[NH+]1CCC(CCc2cc(OC)cc(OC)c2)CC1 ZINC000525120115 340690464 /nfs/dbraw/zinc/69/04/64/340690464.db2.gz VKFIEGOOQSHMGY-UHFFFAOYSA-N 1 0 301.430 3.372 10 30 DGEERO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000542248778 341001907 /nfs/dbraw/zinc/00/19/07/341001907.db2.gz WQGZDCYUPTUBOS-HZPDHXFCSA-N 1 0 303.450 3.006 10 30 DGEERO C=CCC[C@H](C)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000544599461 341087968 /nfs/dbraw/zinc/08/79/68/341087968.db2.gz FVBOGIMMVMYXBC-BBRMVZONSA-N 1 0 314.408 3.343 10 30 DGEERO CCc1ccc(CN2CC[NH+](CCCSCC#N)CC2)s1 ZINC000074991245 341159084 /nfs/dbraw/zinc/15/90/84/341159084.db2.gz CQGWPYVLFZQYEC-UHFFFAOYSA-N 1 0 323.531 3.075 10 30 DGEERO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000247398664 341364165 /nfs/dbraw/zinc/36/41/65/341364165.db2.gz QXJUSIBDBBBKRQ-VQIMIIECSA-N 1 0 315.461 3.187 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000552808431 341404967 /nfs/dbraw/zinc/40/49/67/341404967.db2.gz AHNMXOMSFSGZGU-QGZVFWFLSA-N 1 0 300.446 3.118 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000564832180 341511042 /nfs/dbraw/zinc/51/10/42/341511042.db2.gz RXKVJYRUVBPOJQ-SUNKGSAMSA-N 1 0 311.223 3.086 10 30 DGEERO COc1cc(F)ccc1N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174864680 534016882 /nfs/dbraw/zinc/01/68/82/534016882.db2.gz VAVGJDOMPHXEHE-UHFFFAOYSA-N 1 0 319.424 3.286 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449234531 534317672 /nfs/dbraw/zinc/31/76/72/534317672.db2.gz CIJMSRHUSVBJGV-JTQLQIEISA-N 1 0 310.369 3.115 10 30 DGEERO C=CC[C@H](C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000488921566 534336155 /nfs/dbraw/zinc/33/61/55/534336155.db2.gz ROIBBPSMBPSZQB-LPHOPBHVSA-N 1 0 315.461 3.305 10 30 DGEERO C=CCC(C)(C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000458805847 534547532 /nfs/dbraw/zinc/54/75/32/534547532.db2.gz BCFAORAJEVLGBN-CVEARBPZSA-N 1 0 307.482 3.245 10 30 DGEERO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000495185016 534547959 /nfs/dbraw/zinc/54/79/59/534547959.db2.gz RRPQWLOFOCKFEX-MRXNPFEDSA-N 1 0 319.424 3.137 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000451673865 534573529 /nfs/dbraw/zinc/57/35/29/534573529.db2.gz LXAXFXJPKYDNPQ-OLZOCXBDSA-N 1 0 319.430 3.054 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000489422750 534710585 /nfs/dbraw/zinc/71/05/85/534710585.db2.gz MYYUMYUNYYMUFH-OAHLLOKOSA-N 1 0 310.800 3.482 10 30 DGEERO C[NH+]=C(NCc1nccs1)N[C@H](C)c1ccc(C)c(F)c1 ZINC000157225411 526391601 /nfs/dbraw/zinc/39/16/01/526391601.db2.gz BAHYZQYFOYACKD-LLVKDONJSA-N 1 0 306.410 3.017 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000357856754 526446627 /nfs/dbraw/zinc/44/66/27/526446627.db2.gz FAINHLHWYWIIFG-UHFFFAOYSA-N 1 0 323.849 3.263 10 30 DGEERO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337168553 526483566 /nfs/dbraw/zinc/48/35/66/526483566.db2.gz BRUJZEOTWPABQY-HZPDHXFCSA-N 1 0 304.821 3.168 10 30 DGEERO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000337178213 526484759 /nfs/dbraw/zinc/48/47/59/526484759.db2.gz KKKYMBPEKIEEQR-HNAYVOBHSA-N 1 0 321.424 3.186 10 30 DGEERO C=C(C)C[N@@H+](CCc1ccnn1CC)Cc1cnn(C(C)C)c1 ZINC000352913929 526553971 /nfs/dbraw/zinc/55/39/71/526553971.db2.gz IPFYGPZRWCFRLE-UHFFFAOYSA-N 1 0 315.465 3.301 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181313605 526625375 /nfs/dbraw/zinc/62/53/75/526625375.db2.gz OTAHLNADZMGFGD-LSDHHAIUSA-N 1 0 309.413 3.090 10 30 DGEERO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000180128442 526741686 /nfs/dbraw/zinc/74/16/86/526741686.db2.gz PQSMAWZYHWEAOU-IBGZPJMESA-N 1 0 323.440 3.258 10 30 DGEERO C#CCCOc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127744053 526742399 /nfs/dbraw/zinc/74/23/99/526742399.db2.gz ZETSAGYFMKDSSN-UHFFFAOYSA-N 1 0 312.457 3.149 10 30 DGEERO C=CCOCC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000360639724 526782188 /nfs/dbraw/zinc/78/21/88/526782188.db2.gz USUJXWNQENCYBC-UHFFFAOYSA-N 1 0 311.385 3.126 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000434790351 526885435 /nfs/dbraw/zinc/88/54/35/526885435.db2.gz TWYNALLDBCTGPA-GOSISDBHSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCOc1ccccc1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000348636185 526933837 /nfs/dbraw/zinc/93/38/37/526933837.db2.gz PYRYOBFKKKNOTG-WMZOPIPTSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354165825 526934328 /nfs/dbraw/zinc/93/43/28/526934328.db2.gz ILIZEPCYGRWIAN-LJQANCHMSA-N 1 0 300.446 3.169 10 30 DGEERO C=CCOc1ccccc1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000348636182 526936119 /nfs/dbraw/zinc/93/61/19/526936119.db2.gz PYRYOBFKKKNOTG-SJLPKXTDSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CC[C@@H](OC)C(F)(F)F ZINC000344803082 526948464 /nfs/dbraw/zinc/94/84/64/526948464.db2.gz AFDLTKLFQFXVCV-CQSZACIVSA-N 1 0 303.324 3.308 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433207616 526949207 /nfs/dbraw/zinc/94/92/07/526949207.db2.gz LGRCFVPHMXOOJD-UHFFFAOYSA-N 1 0 301.430 3.284 10 30 DGEERO CC(C)(CCC#N)C[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000153305537 527000843 /nfs/dbraw/zinc/00/08/43/527000843.db2.gz AXHCZDLLZFJVHB-CYBMUJFWSA-N 1 0 307.388 3.463 10 30 DGEERO C=CC[C@@H]1[N@H+](Cc2ccc(C(=O)OC)cn2)CCCC1(C)C ZINC000352405312 527119132 /nfs/dbraw/zinc/11/91/32/527119132.db2.gz HFDBNDJKWBRJEF-INIZCTEOSA-N 1 0 302.418 3.435 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349147653 527139540 /nfs/dbraw/zinc/13/95/40/527139540.db2.gz IIVJSOZZYMAPSF-QWHCGFSZSA-N 1 0 302.418 3.436 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181106208 527261468 /nfs/dbraw/zinc/26/14/68/527261468.db2.gz ANJWSMDNZBJSPI-MRXNPFEDSA-N 1 0 307.482 3.249 10 30 DGEERO C=CCC[N@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000338569812 527326618 /nfs/dbraw/zinc/32/66/18/527326618.db2.gz WTIXQVHMJLLNOJ-QFBILLFUSA-N 1 0 301.478 3.498 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000424292627 527499466 /nfs/dbraw/zinc/49/94/66/527499466.db2.gz HATXZXZQWOAQNS-XEZPLFJOSA-N 1 0 322.836 3.238 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052034879 545691767 /nfs/dbraw/zinc/69/17/67/545691767.db2.gz XGGHOCZOLDDLDR-GOSISDBHSA-N 1 0 316.420 3.033 10 30 DGEERO CC[N@@H+]1CCC[C@@H](NC(=O)CSc2nccn2C(C)(C)C)C1 ZINC000329158997 546483865 /nfs/dbraw/zinc/48/38/65/546483865.db2.gz XGZVGPYKPHXHNA-CYBMUJFWSA-N 1 0 324.494 3.171 10 30 DGEERO C#CCN(C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)C1CCCCC1 ZINC000730912245 574538385 /nfs/dbraw/zinc/53/83/85/574538385.db2.gz QPLQVOBAAOHXEW-IAGOWNOFSA-N 1 0 319.493 3.227 10 30 DGEERO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)cc1C#N ZINC000742368811 574992932 /nfs/dbraw/zinc/99/29/32/574992932.db2.gz OULUNDIXCFUGLR-ZDUSSCGKSA-N 1 0 308.381 3.353 10 30 DGEERO C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C(/C)c1ccccc1Cl ZINC000729812184 575263726 /nfs/dbraw/zinc/26/37/26/575263726.db2.gz OGJBEKCVIOGCTM-ZSMUJPCHSA-N 1 0 317.816 3.384 10 30 DGEERO C=CC1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000111257932 620689643 /nfs/dbraw/zinc/68/96/43/620689643.db2.gz AWLFFWJVZYJYTG-OAHLLOKOSA-N 1 0 310.235 3.381 10 30 DGEERO C#CCOc1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000152173091 620495799 /nfs/dbraw/zinc/49/57/99/620495799.db2.gz ICXIYDAJMRDYJY-GOSISDBHSA-N 1 0 306.409 3.067 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000113339103 620904838 /nfs/dbraw/zinc/90/48/38/620904838.db2.gz JZHHTAKXSFBBDW-GOSISDBHSA-N 1 0 306.409 3.067 10 30 DGEERO CCOc1cccc(/C=N/C[C@H]2CCC[N@@H+]2CC(C)C)c1O ZINC000129623826 625707864 /nfs/dbraw/zinc/70/78/64/625707864.db2.gz KKLVTWLJKXPJFZ-YDDPGSGASA-N 1 0 304.434 3.330 10 30 DGEERO C#CCOc1ccccc1C[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000128235166 624802410 /nfs/dbraw/zinc/80/24/10/624802410.db2.gz RZWAZZBWBPHEFC-AEFFLSMTSA-N 1 0 301.430 3.120 10 30 DGEERO CC[C@@H]1CCC[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000131048199 625937329 /nfs/dbraw/zinc/93/73/29/625937329.db2.gz NDGSEPDROQYJNL-OAHLLOKOSA-N 1 0 309.417 3.205 10 30 DGEERO CCOc1cccc(/C=N/C2CCC(C[NH+](C)C)CC2)c1O ZINC000136459989 627081248 /nfs/dbraw/zinc/08/12/48/627081248.db2.gz UVOIIARPVKRTRX-XDHOZWIPSA-N 1 0 304.434 3.330 10 30 DGEERO COc1ccccc1CNC(=[NH2+])NCc1ccc(C(F)F)cc1 ZINC000184880077 660192504 /nfs/dbraw/zinc/19/25/04/660192504.db2.gz JUAANSMEVNLSAO-UHFFFAOYSA-N 1 0 319.355 3.237 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000072916956 660228011 /nfs/dbraw/zinc/22/80/11/660228011.db2.gz TXICOTMXYGZWGC-QGZVFWFLSA-N 1 0 323.444 3.451 10 30 DGEERO CC1(C)CC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)O1 ZINC000186887879 660579775 /nfs/dbraw/zinc/57/97/75/660579775.db2.gz VQSSCZJDVNRFAT-AWEZNQCLSA-N 1 0 301.434 3.250 10 30 DGEERO CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CC(C)(C)CCC#N)C2 ZINC000701865650 660689016 /nfs/dbraw/zinc/68/90/16/660689016.db2.gz USIPOQHBCGNBDC-UHFFFAOYSA-N 1 0 321.465 3.305 10 30 DGEERO CSCCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160737841 655673784 /nfs/dbraw/zinc/67/37/84/655673784.db2.gz JNNAUPSKQZLNCZ-UHFFFAOYSA-N 1 0 321.368 3.455 10 30 DGEERO C[C@@](O)(C[NH2+]C1CCC(F)(F)CC1)C(F)(F)C(F)(F)F ZINC000724111192 655742488 /nfs/dbraw/zinc/74/24/88/655742488.db2.gz VBWTXMSNYPOSBA-MRVPVSSYSA-N 1 0 311.241 3.103 10 30 DGEERO N#C[C@@H]1CCC[C@H]1N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716655244 661226143 /nfs/dbraw/zinc/22/61/43/661226143.db2.gz NYOMDYLVALLHMS-VYJAJWGXSA-N 1 0 309.457 3.321 10 30 DGEERO [NH2+]=C(NCc1ccc(C2CC2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000262422219 657557746 /nfs/dbraw/zinc/55/77/46/657557746.db2.gz VBGGLKRTUQISEL-GOSISDBHSA-N 1 0 321.424 3.492 10 30 DGEERO CC[C@@H](CNC(=[NH2+])NCCc1cccs1)c1ccccc1 ZINC000303768311 657560475 /nfs/dbraw/zinc/56/04/75/657560475.db2.gz AGRVQXPTRPFTIP-AWEZNQCLSA-N 1 0 301.459 3.389 10 30 DGEERO CCN(CC)[C@@H](CNC(=[NH2+])NC1CCCCC1)c1ccsc1 ZINC000303892992 657573447 /nfs/dbraw/zinc/57/34/47/657573447.db2.gz NXQKLUNHDSTPBR-INIZCTEOSA-N 1 0 322.522 3.368 10 30 DGEERO CCN(CC)c1ccc(CNC(=[NH2+])Nc2cccc(C)c2)cn1 ZINC000303904888 657577522 /nfs/dbraw/zinc/57/75/22/657577522.db2.gz VEYQWPPSQOKMJV-UHFFFAOYSA-N 1 0 311.433 3.163 10 30 DGEERO [NH2+]=C(NCCCc1nc2c(s1)CCCC2)NC1CCCCC1 ZINC000303987325 657585138 /nfs/dbraw/zinc/58/51/38/657585138.db2.gz VIPUWHUPWATMOI-UHFFFAOYSA-N 1 0 320.506 3.192 10 30 DGEERO CSCc1cc(F)ccc1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000304947260 657659505 /nfs/dbraw/zinc/65/95/05/657659505.db2.gz QGFQNIPZKDNLBT-GFCCVEGCSA-N 1 0 309.454 3.235 10 30 DGEERO COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000262552609 657744284 /nfs/dbraw/zinc/74/42/84/657744284.db2.gz ZJDIKOYBMVSNKR-HUUCEWRRSA-N 1 0 317.433 3.399 10 30 DGEERO [NH2+]=C(Nc1cccc2c1CCCC2)N[C@@H]1COc2ccccc21 ZINC000262618850 657824180 /nfs/dbraw/zinc/82/41/80/657824180.db2.gz CETINGHCQLVQON-QGZVFWFLSA-N 1 0 307.397 3.426 10 30 DGEERO C[C@@H]1C[NH+]=C(NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)N1 ZINC000262670484 657911001 /nfs/dbraw/zinc/91/10/01/657911001.db2.gz QQUYGMCPRKPRIX-CQSZACIVSA-N 1 0 321.424 3.116 10 30 DGEERO C[NH+]=C(NC1CCC1)N(C)Cc1ccc(Br)s1 ZINC000262803731 658041747 /nfs/dbraw/zinc/04/17/47/658041747.db2.gz RVKQGCRANSCACE-UHFFFAOYSA-N 1 0 316.268 3.070 10 30 DGEERO [NH2+]=C(NCC1(CF)CCOCC1)Nc1cccc2c1CCCC2 ZINC000263083923 658117927 /nfs/dbraw/zinc/11/79/27/658117927.db2.gz IBKSFBPWFJZHJX-UHFFFAOYSA-N 1 0 319.424 3.058 10 30 DGEERO CCCCCCCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000059426787 659144113 /nfs/dbraw/zinc/14/41/13/659144113.db2.gz KHMNEKFAYRZKLR-AWEZNQCLSA-N 1 0 312.479 3.345 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(C(C)C)CC1 ZINC000172956562 659367464 /nfs/dbraw/zinc/36/74/64/659367464.db2.gz DGCHGTWMVVONNE-UHFFFAOYSA-N 1 0 323.444 3.451 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000174559513 659438828 /nfs/dbraw/zinc/43/88/28/659438828.db2.gz VACWNIOUQWVQEX-OAHLLOKOSA-N 1 0 321.380 3.018 10 30 DGEERO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048880165 661896785 /nfs/dbraw/zinc/89/67/85/661896785.db2.gz JSHMWVBHKWDQRB-QGZVFWFLSA-N 1 0 300.789 3.377 10 30 DGEERO C#CC[C@@H](COC)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000716949200 685275937 /nfs/dbraw/zinc/27/59/37/685275937.db2.gz SJQFYTOWHBJPGF-WFASDCNBSA-N 1 0 310.235 3.008 10 30 DGEERO N#Cc1cc(N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)ncn1 ZINC000709623317 1176812006 /nfs/dbraw/zinc/81/20/06/1176812006.db2.gz OPPXZGAFVAYOJG-QGZVFWFLSA-N 1 0 321.428 3.205 10 30 DGEERO N#Cc1ccc(Br)cc1NC1CC[NH+](C2CC2)CC1 ZINC000311777189 1177407038 /nfs/dbraw/zinc/40/70/38/1177407038.db2.gz YLCRBAJGSVTPBP-UHFFFAOYSA-N 1 0 320.234 3.359 10 30 DGEERO C=CCOc1ccc(CNC[C@@H](CC)[NH+]2CCCC2)cc1OC ZINC000075776424 1196420565 /nfs/dbraw/zinc/42/05/65/1196420565.db2.gz RNJJNOZFUBCXRN-QGZVFWFLSA-N 1 0 318.461 3.224 10 30 DGEERO C=CCOc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000098027654 1199182533 /nfs/dbraw/zinc/18/25/33/1199182533.db2.gz BESVJZIBCNJNES-OAHLLOKOSA-N 1 0 317.433 3.105 10 30 DGEERO C=CCOc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000098027653 1199182776 /nfs/dbraw/zinc/18/27/76/1199182776.db2.gz BESVJZIBCNJNES-HNNXBMFYSA-N 1 0 317.433 3.105 10 30 DGEERO C[C@@H](CNc1cc(Br)ccc1C#N)C[NH+]1CCCC1 ZINC000123258999 1200275383 /nfs/dbraw/zinc/27/53/83/1200275383.db2.gz QXNCHRUWMWJWHI-LBPRGKRZSA-N 1 0 322.250 3.465 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1OC ZINC000134482313 1201201926 /nfs/dbraw/zinc/20/19/26/1201201926.db2.gz BGNNHKGUODEVJH-CQSZACIVSA-N 1 0 305.418 3.165 10 30 DGEERO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C(C)C ZINC000236691497 1202621049 /nfs/dbraw/zinc/62/10/49/1202621049.db2.gz GHGVMDCDXXIVHH-IBGZPJMESA-N 1 0 312.461 3.351 10 30 DGEERO C[C@@H]1CCc2ccccc2N1C(=O)C[N+](C)(C)C1CCCC1 ZINC000029414907 717118797 /nfs/dbraw/zinc/11/87/97/717118797.db2.gz RTQYZSPJFMCIIG-OAHLLOKOSA-N 1 0 301.454 3.373 10 30 DGEERO C[N@H+](CCCOCc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000402404891 1094011704 /nfs/dbraw/zinc/01/17/04/1094011704.db2.gz TXYFALQBWXNAIQ-FQEVSTJZSA-N 1 0 324.424 3.130 10 30 DGEERO C=CCOCC[NH2+]C1CC(c2ccccc2Br)C1 ZINC000306037852 1094050873 /nfs/dbraw/zinc/05/08/73/1094050873.db2.gz PHSQKJJCGSRQKM-UHFFFAOYSA-N 1 0 310.235 3.487 10 30 DGEERO C[NH+](C)CC[C@@H]1CCN(c2ccc(C#N)c(Br)c2)C1 ZINC000701525252 1108954884 /nfs/dbraw/zinc/95/48/84/1108954884.db2.gz RKSFAWMJGJKJMP-GFCCVEGCSA-N 1 0 322.250 3.099 10 30 DGEERO Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000701875219 1108995823 /nfs/dbraw/zinc/99/58/23/1108995823.db2.gz WSLQVAFHVQPQHQ-UWJYYQICSA-N 1 0 319.452 3.477 10 30 DGEERO CN(CCC#N)c1ccc(C[NH2+]CCCc2ccccn2)cc1 ZINC000178933749 529870297 /nfs/dbraw/zinc/87/02/97/529870297.db2.gz HQFDWLDHXLKSOG-UHFFFAOYSA-N 1 0 308.429 3.154 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279690508 215065742 /nfs/dbraw/zinc/06/57/42/215065742.db2.gz NOQJQQUXZPTXOG-YTQUADARSA-N 1 0 312.457 3.179 10 30 DGEERO C=CCC[C@@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ncc(F)cn1 ZINC000072426860 191161494 /nfs/dbraw/zinc/16/14/94/191161494.db2.gz GSWKXRYEWAZZPY-UXLLHSPISA-N 1 0 317.408 3.227 10 30 DGEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000176956997 283092301 /nfs/dbraw/zinc/09/23/01/283092301.db2.gz KPBOYZIJVUBFGI-UHFFFAOYSA-N 1 0 309.335 3.252 10 30 DGEERO CCC[NH+](CCC)CCCC(=O)NCC1CCC(C#N)CC1 ZINC000442984690 283210400 /nfs/dbraw/zinc/21/04/00/283210400.db2.gz ULQIVJGZFPZNHK-UHFFFAOYSA-N 1 0 307.482 3.335 10 30 DGEERO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179463710 199039831 /nfs/dbraw/zinc/03/98/31/199039831.db2.gz OZMLKZDUBITLET-DLBZAZTESA-N 1 0 301.434 3.039 10 30 DGEERO Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)o1 ZINC000179884315 199091727 /nfs/dbraw/zinc/09/17/27/199091727.db2.gz HTSYOOOWNODZRQ-UHFFFAOYSA-N 1 0 320.396 3.492 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180198242 199129195 /nfs/dbraw/zinc/12/91/95/199129195.db2.gz ZSXLACOJPHWSIL-RBUKOAKNSA-N 1 0 319.408 3.042 10 30 DGEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000281216189 216159957 /nfs/dbraw/zinc/15/99/57/216159957.db2.gz KAUUKZOGGIOLET-JQHSSLGASA-N 1 0 302.393 3.213 10 30 DGEERO Cn1c2ccc(C[N@H+](C)Cc3cccc(C#N)c3)cc2sc1=O ZINC000194985604 201321999 /nfs/dbraw/zinc/32/19/99/201321999.db2.gz ADSFETVCNPCOPL-UHFFFAOYSA-N 1 0 323.421 3.104 10 30 DGEERO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000449241172 240085390 /nfs/dbraw/zinc/08/53/90/240085390.db2.gz RSCNOYVODUJODE-DOTOQJQBSA-N 1 0 301.434 3.302 10 30 DGEERO C=CCC[C@H](CCC)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449356014 240155254 /nfs/dbraw/zinc/15/52/54/240155254.db2.gz FHMVSQBRQZUZTR-GJZGRUSLSA-N 1 0 307.459 3.282 10 30 DGEERO C=CCCC[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000191578329 335001499 /nfs/dbraw/zinc/00/14/99/335001499.db2.gz WUWBUJUXRKFFTM-UHFFFAOYSA-N 1 0 308.447 3.465 10 30 DGEERO N#Cc1ccc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000093016629 193195142 /nfs/dbraw/zinc/19/51/42/193195142.db2.gz FLXCUXQDVFAXLM-MRXNPFEDSA-N 1 0 301.434 3.239 10 30 DGEERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(OCC#N)cc1 ZINC000248717729 299402917 /nfs/dbraw/zinc/40/29/17/299402917.db2.gz LADXDQLRWZOYCT-OKDNKWQNSA-N 1 0 312.413 3.197 10 30 DGEERO C[C@@H]1CCN(Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093811128 193312444 /nfs/dbraw/zinc/31/24/44/193312444.db2.gz VRRWRZPBFIYCON-MRXNPFEDSA-N 1 0 309.413 3.248 10 30 DGEERO CC[N@@H+]1CC[C@@H](N(C)CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246531886 432141364 /nfs/dbraw/zinc/14/13/64/432141364.db2.gz JKMHUVOCLQPBPF-MAUKXSAKSA-N 1 0 304.865 3.354 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CCC#N ZINC000043020176 183328980 /nfs/dbraw/zinc/32/89/80/183328980.db2.gz FNIULMRELXMICJ-KGLIPLIRSA-N 1 0 310.239 3.073 10 30 DGEERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(CCC#N)C1CC1 ZINC000043021822 183329528 /nfs/dbraw/zinc/32/95/28/183329528.db2.gz GWXZRFJLHHARJB-XHDPSFHLSA-N 1 0 322.250 3.215 10 30 DGEERO N#Cc1ccccc1O[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043022804 183330937 /nfs/dbraw/zinc/33/09/37/183330937.db2.gz XSAAALJIYKSTSK-OAHLLOKOSA-N 1 0 317.186 3.400 10 30 DGEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)C[C@@H](C)C#N ZINC000043093277 183336585 /nfs/dbraw/zinc/33/65/85/183336585.db2.gz XWOSAIIQBXVPJI-NILFDRSVSA-N 1 0 324.266 3.319 10 30 DGEERO CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@H]([NH3+])CO ZINC000059066902 184134368 /nfs/dbraw/zinc/13/43/68/184134368.db2.gz AERBNCYCJBRYDG-SQNIBIBYSA-N 1 0 317.514 3.119 10 30 in-vitro DGEERO C[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)[C@@H](C)CC#N ZINC000063085437 184269726 /nfs/dbraw/zinc/26/97/26/184269726.db2.gz BEXGOKALPRLFOW-YGOYTEALSA-N 1 0 316.268 3.133 10 30 DGEERO Cc1cc(C)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c(C)c1 ZINC000065040351 184309495 /nfs/dbraw/zinc/30/94/95/184309495.db2.gz YPVQOTKXVNWTTI-UHFFFAOYSA-N 1 0 320.440 3.201 10 30 DGEERO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000120044752 195086747 /nfs/dbraw/zinc/08/67/47/195086747.db2.gz LFVDSNNJIUWXDY-HNNXBMFYSA-N 1 0 307.397 3.407 10 30 DGEERO COc1ncc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)cc1Cl ZINC000263067631 533208498 /nfs/dbraw/zinc/20/84/98/533208498.db2.gz GIWIPQNBZPEVQQ-UHFFFAOYSA-N 1 0 318.808 3.287 10 30 DGEERO COc1cc(C#N)ccc1C[N@H+](C)CCc1ncc(C)s1 ZINC000121591359 195312701 /nfs/dbraw/zinc/31/27/01/195312701.db2.gz KCRANOSEJJBIRR-UHFFFAOYSA-N 1 0 301.415 3.006 10 30 DGEERO C[C@]1(C[NH2+]Cc2ccc(C#N)o2)CCCN1Cc1ccccc1 ZINC000121797700 195349167 /nfs/dbraw/zinc/34/91/67/195349167.db2.gz QLRLOUFTKXURIG-LJQANCHMSA-N 1 0 309.413 3.296 10 30 DGEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000007018415 400096274 /nfs/dbraw/zinc/09/62/74/400096274.db2.gz JLXBPLZDTAZHNW-BLLLJJGKSA-N 1 0 307.825 3.045 10 30 DGEERO CCCC[C@H](CC)CNC(=[NH2+])NC(=[NH2+])Nc1ccc(C)cc1 ZINC000001575905 400081506 /nfs/dbraw/zinc/08/15/06/400081506.db2.gz IYVTWEWYYAYKEF-AWEZNQCLSA-N 1 0 303.454 3.062 10 30 DGEERO COc1ccc(C(=O)C[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000015455724 400166139 /nfs/dbraw/zinc/16/61/39/400166139.db2.gz VRZAWRVHPXUABP-UHFFFAOYSA-N 1 0 318.396 3.456 10 30 DGEERO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617011932 400274098 /nfs/dbraw/zinc/27/40/98/400274098.db2.gz PJCFSUAVDKUBSF-RDJZCZTQSA-N 1 0 300.446 3.335 10 30 DGEERO N#Cc1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)c(F)c1 ZINC000610812850 400310273 /nfs/dbraw/zinc/31/02/73/400310273.db2.gz WUNCKQPDGXXBER-UHFFFAOYSA-N 1 0 316.298 3.023 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000093869900 400260659 /nfs/dbraw/zinc/26/06/59/400260659.db2.gz OWDZEENNEDQVNW-QGZVFWFLSA-N 1 0 311.429 3.050 10 30 DGEERO C=CCCC1(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)CCCC1 ZINC000617417332 400385733 /nfs/dbraw/zinc/38/57/33/400385733.db2.gz VAQAEHOGYGSDAV-HNNXBMFYSA-N 1 0 310.507 3.067 10 30 DGEERO C=CCCCC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000036469938 400390143 /nfs/dbraw/zinc/39/01/43/400390143.db2.gz KDAQZBCDYLHGJO-UHFFFAOYSA-N 1 0 300.446 3.371 10 30 DGEERO C=CCCCCn1cnc2c(c1=O)CCN(Cc1ccccc1)C2 ZINC000578594557 400330514 /nfs/dbraw/zinc/33/05/14/400330514.db2.gz BXLGVJWYPIRGAU-UHFFFAOYSA-N 1 0 323.440 3.158 10 30 DGEERO C=C(C)[C@H](CC(=O)N(CC[NH+]1CCCCCC1)C(C)C)OCC ZINC000579747172 400341828 /nfs/dbraw/zinc/34/18/28/400341828.db2.gz CAVYFHWXWODIIT-SFHVURJKSA-N 1 0 324.509 3.471 10 30 DGEERO Cc1ccc(C#N)nc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000611399375 400393729 /nfs/dbraw/zinc/39/37/29/400393729.db2.gz GVLSBVNKJARIPT-QGZVFWFLSA-N 1 0 312.461 3.354 10 30 DGEERO C[NH+](C)Cc1ccc(/C=N/c2cc(F)cc3c2COC3=O)cc1 ZINC000117882061 400423080 /nfs/dbraw/zinc/42/30/80/400423080.db2.gz CLTMTUTWFWVIGR-AWQFTUOYSA-N 1 0 312.344 3.308 10 30 DGEERO C=CC[C@@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000617785156 400454391 /nfs/dbraw/zinc/45/43/91/400454391.db2.gz FGHGMYKZZMLWPI-MRXNPFEDSA-N 1 0 316.445 3.055 10 30 DGEERO C=CCSCC[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000602544030 400493221 /nfs/dbraw/zinc/49/32/21/400493221.db2.gz HJGYHADLZTXXSU-UHFFFAOYSA-N 1 0 314.458 3.154 10 30 DGEERO C=CCCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000076490988 400657237 /nfs/dbraw/zinc/65/72/37/400657237.db2.gz SHKILIDCVOMPTM-GOSISDBHSA-N 1 0 300.446 3.323 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCCC[C@@H]2CO)ccc1OC ZINC000152340110 400679486 /nfs/dbraw/zinc/67/94/86/400679486.db2.gz HDDGDIXUFWZVLQ-SJORKVTESA-N 1 0 319.445 3.291 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000076974265 400682646 /nfs/dbraw/zinc/68/26/46/400682646.db2.gz JHERJAFNDUIYHS-INIZCTEOSA-N 1 0 303.450 3.115 10 30 DGEERO N#Cc1ccc(NCCC2CC[NH2+]CC2)c(Br)c1 ZINC000593233284 400797429 /nfs/dbraw/zinc/79/74/29/400797429.db2.gz OGISLXIGLYTADL-UHFFFAOYSA-N 1 0 308.223 3.122 10 30 DGEERO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000593593370 400877989 /nfs/dbraw/zinc/87/79/89/400877989.db2.gz ACGNTQROFIQCGK-MAUKXSAKSA-N 1 0 310.445 3.256 10 30 DGEERO CN(CCC#N)C(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000179701940 400879762 /nfs/dbraw/zinc/87/97/62/400879762.db2.gz NFFZYGONSVVCQV-KRWDZBQOSA-N 1 0 319.836 3.143 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000079846169 400900745 /nfs/dbraw/zinc/90/07/45/400900745.db2.gz ZBBMRXODCONXTJ-HNNXBMFYSA-N 1 0 301.434 3.223 10 30 DGEERO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424897 401062776 /nfs/dbraw/zinc/06/27/76/401062776.db2.gz DLKMBYOPOCCVTC-QAPCUYQASA-N 1 0 313.445 3.225 10 30 DGEERO C=CCCOCC[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594500089 401081761 /nfs/dbraw/zinc/08/17/61/401081761.db2.gz HKWYMMGXSYAMAT-KRWDZBQOSA-N 1 0 303.402 3.033 10 30 DGEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600179898 401212028 /nfs/dbraw/zinc/21/20/28/401212028.db2.gz XEOIWOHRCVUBNG-HOCLYGCPSA-N 1 0 302.418 3.483 10 30 DGEERO C=CC[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600184874 401213169 /nfs/dbraw/zinc/21/31/69/401213169.db2.gz HZVYUYGESRQPEJ-INIZCTEOSA-N 1 0 321.428 3.257 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625784145 401217191 /nfs/dbraw/zinc/21/71/91/401217191.db2.gz GZKQMPKLCAEVMU-MAUKXSAKSA-N 1 0 313.445 3.102 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000625699659 401184407 /nfs/dbraw/zinc/18/44/07/401184407.db2.gz CBRSIGNZKPDDBS-CYBMUJFWSA-N 1 0 322.836 3.494 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000625701118 401185323 /nfs/dbraw/zinc/18/53/23/401185323.db2.gz OOVOPWMTEARBDH-MRXNPFEDSA-N 1 0 300.446 3.470 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccccc2OC)C1 ZINC000625701409 401185395 /nfs/dbraw/zinc/18/53/95/401185395.db2.gz RDVYEXHVRMMTEZ-JKSUJKDBSA-N 1 0 316.445 3.113 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000625702884 401186345 /nfs/dbraw/zinc/18/63/45/401186345.db2.gz IBJQFLOYCROOBL-OAHLLOKOSA-N 1 0 300.402 3.116 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n([C@@H](C)COC)c2C)C1 ZINC000625702857 401186357 /nfs/dbraw/zinc/18/63/57/401186357.db2.gz JNPWPNVEOKRJFY-DOTOQJQBSA-N 1 0 318.461 3.393 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000625705236 401187489 /nfs/dbraw/zinc/18/74/89/401187489.db2.gz ZDMLCVMFDPMRPU-GFCCVEGCSA-N 1 0 308.809 3.185 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000630456730 401271891 /nfs/dbraw/zinc/27/18/91/401271891.db2.gz RQXOODUZAPFPGU-OAHLLOKOSA-N 1 0 302.418 3.279 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCc1ccc(F)cc1 ZINC000065596237 401272297 /nfs/dbraw/zinc/27/22/97/401272297.db2.gz HKWNXLIDYSJISM-HNNXBMFYSA-N 1 0 306.425 3.113 10 30 DGEERO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000089652046 401234647 /nfs/dbraw/zinc/23/46/47/401234647.db2.gz KYCUJCGSHAPASR-WBVHZDCISA-N 1 0 312.804 3.464 10 30 DGEERO C=CCCCCCNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625939217 401261216 /nfs/dbraw/zinc/26/12/16/401261216.db2.gz PEDRDXVTZBTLNJ-UHFFFAOYSA-N 1 0 303.406 3.037 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000627083771 401440714 /nfs/dbraw/zinc/44/07/14/401440714.db2.gz ZDTBZMLHPYMZQX-BEFAXECRSA-N 1 0 323.440 3.447 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000623466475 401524653 /nfs/dbraw/zinc/52/46/53/401524653.db2.gz AUHIXSTXCNVEMS-DLBZAZTESA-N 1 0 307.482 3.106 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+]CCCN2CCC2)cc1OC ZINC000623478283 401527371 /nfs/dbraw/zinc/52/73/71/401527371.db2.gz GLCOXCVIXBPWBB-UHFFFAOYSA-N 1 0 324.852 3.099 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)ccc1OC ZINC000623753012 401575827 /nfs/dbraw/zinc/57/58/27/401575827.db2.gz PWIHHAZKZDIZNM-AEFFLSMTSA-N 1 0 317.429 3.307 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000623814455 401582375 /nfs/dbraw/zinc/58/23/75/401582375.db2.gz GDICWDSLFGUJQU-BPQIPLTHSA-N 1 0 313.445 3.039 10 30 DGEERO C=CCOCCC[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623569729 401548146 /nfs/dbraw/zinc/54/81/46/401548146.db2.gz VCAUJQXPOGAQBU-UHFFFAOYSA-N 1 0 320.177 3.410 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1 ZINC000623626760 401558402 /nfs/dbraw/zinc/55/84/02/401558402.db2.gz CEMYBTVQBNRXLI-HNNXBMFYSA-N 1 0 310.388 3.071 10 30 DGEERO C=CCCC(C)(C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000633058196 401647938 /nfs/dbraw/zinc/64/79/38/401647938.db2.gz CPIVZRIPKMCKQJ-MQVJKMGUSA-N 1 0 307.482 3.293 10 30 DGEERO C=CCOc1cccc(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000632905922 401637225 /nfs/dbraw/zinc/63/72/25/401637225.db2.gz AILCEXMYDRMSGV-HNNXBMFYSA-N 1 0 317.433 3.151 10 30 DGEERO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000624205594 401638908 /nfs/dbraw/zinc/63/89/08/401638908.db2.gz IGDAJUYJIQILTM-LSDHHAIUSA-N 1 0 300.402 3.356 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000624038116 401616635 /nfs/dbraw/zinc/61/66/35/401616635.db2.gz SAXUMZSJIYBBPC-CQSZACIVSA-N 1 0 324.490 3.190 10 30 DGEERO C=CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000628964733 401651427 /nfs/dbraw/zinc/65/14/27/401651427.db2.gz GVVAHVFMSWECEV-RTBURBONSA-N 1 0 312.457 3.479 10 30 DGEERO Cc1ccc(C#N)cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000178949107 164850345 /nfs/dbraw/zinc/85/03/45/164850345.db2.gz YDMSSNZCCVOEFO-UHFFFAOYSA-N 1 0 314.433 3.109 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185623104 165010143 /nfs/dbraw/zinc/01/01/43/165010143.db2.gz QXOFFUIWUHORDM-SUMWQHHRSA-N 1 0 308.381 3.221 10 30 DGEERO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccs1 ZINC000182546120 432202567 /nfs/dbraw/zinc/20/25/67/432202567.db2.gz XWILPKSWUZFINM-GFCCVEGCSA-N 1 0 302.399 3.358 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(Cl)s3)n2c1 ZINC000172338481 432208383 /nfs/dbraw/zinc/20/83/83/432208383.db2.gz BWVGYHMHNKGTBD-UHFFFAOYSA-N 1 0 302.790 3.211 10 30 DGEERO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(c2cccs2)CCCCC1 ZINC000125453147 226995637 /nfs/dbraw/zinc/99/56/37/226995637.db2.gz RVHKYXXBCUJWOE-AWEZNQCLSA-N 1 0 321.490 3.033 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000162500064 228257673 /nfs/dbraw/zinc/25/76/73/228257673.db2.gz ZUPFWBDZLSDING-AUUYWEPGSA-N 1 0 313.445 3.107 10 30 DGEERO [NH2+]=C(NCc1nc2ccccc2n1C1CC1)N1CCCCCC1 ZINC000183836121 228376640 /nfs/dbraw/zinc/37/66/40/228376640.db2.gz UEUYXUNIFOBUSZ-UHFFFAOYSA-N 1 0 311.433 3.062 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2cccc(OC(C)(C)C)n2)c1 ZINC000262191929 228642147 /nfs/dbraw/zinc/64/21/47/228642147.db2.gz YVTBBHHYXMYMRH-UHFFFAOYSA-N 1 0 312.417 3.494 10 30 DGEERO N#Cc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000302179512 230145137 /nfs/dbraw/zinc/14/51/37/230145137.db2.gz RLYLRDARRWXNCD-PWIZWCRZSA-N 1 0 318.424 3.276 10 30 DGEERO Cc1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1C#N ZINC000302627767 230324824 /nfs/dbraw/zinc/32/48/24/230324824.db2.gz IMAJRIJWXMLLOF-KRWDZBQOSA-N 1 0 312.461 3.354 10 30 DGEERO N#Cc1ccc(C2=CC[N@H+](Cc3cnn4ccccc34)CC2)cc1 ZINC000374282338 268055336 /nfs/dbraw/zinc/05/53/36/268055336.db2.gz DPVXWPDBVZAUKN-UHFFFAOYSA-N 1 0 314.392 3.495 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000349826786 273486666 /nfs/dbraw/zinc/48/66/66/273486666.db2.gz AHOMDEYKFZECRN-XHDPSFHLSA-N 1 0 310.235 3.353 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCc4ccccc43)n2c1 ZINC000123138945 274927389 /nfs/dbraw/zinc/92/73/89/274927389.db2.gz VCUJCPZXOZBBME-SFHVURJKSA-N 1 0 302.381 3.373 10 30 DGEERO C#Cc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000290329934 275387990 /nfs/dbraw/zinc/38/79/90/275387990.db2.gz KGKYPGCRWGNESP-QGZVFWFLSA-N 1 0 301.455 3.202 10 30 DGEERO C[N@@H+]1CCC[C@H]2CN(CC#Cc3cccc(Cl)c3)CC[C@H]21 ZINC000245902206 277083628 /nfs/dbraw/zinc/08/36/28/277083628.db2.gz BHERZXDNKYHVEK-FUHWJXTLSA-N 1 0 302.849 3.108 10 30 DGEERO CC[NH+]=C(NCc1c(C)nn(C)c1C)NC1CCC(C)(C)CC1 ZINC000125042702 278168636 /nfs/dbraw/zinc/16/86/36/278168636.db2.gz DHKJOLMTBYXKQL-UHFFFAOYSA-N 1 0 319.497 3.061 10 30 DGEERO CC[NH+](CC)CC1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000448825822 279092255 /nfs/dbraw/zinc/09/22/55/279092255.db2.gz RZRPNOJVHUNGFZ-LJQANCHMSA-N 1 0 317.477 3.041 10 30 DGEERO C=CC1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000111256304 431204873 /nfs/dbraw/zinc/20/48/73/431204873.db2.gz KLFMACJIFSNUFA-QGZVFWFLSA-N 1 0 309.837 3.116 10 30 DGEERO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000008248194 431387300 /nfs/dbraw/zinc/38/73/00/431387300.db2.gz LYDZIIDADDWAEZ-LLVKDONJSA-N 1 0 315.323 3.126 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000076734437 431560818 /nfs/dbraw/zinc/56/08/18/431560818.db2.gz JPITZEMDSPEJEN-HNNXBMFYSA-N 1 0 317.408 3.359 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000076733863 431561726 /nfs/dbraw/zinc/56/17/26/431561726.db2.gz FCPNJXJBTQBSNR-CQSZACIVSA-N 1 0 318.417 3.073 10 30 DGEERO C=CCCCN(C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000076946669 431565294 /nfs/dbraw/zinc/56/52/94/431565294.db2.gz KSDYEWVKSRVDBK-UHFFFAOYSA-N 1 0 315.461 3.042 10 30 DGEERO C=CCN(CC[C@H]1CCC[N@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000119610431 431713627 /nfs/dbraw/zinc/71/36/27/431713627.db2.gz GROGFSCMBCKNTR-MRXNPFEDSA-N 1 0 303.406 3.067 10 30 DGEERO C=CCC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000121396351 431780927 /nfs/dbraw/zinc/78/09/27/431780927.db2.gz LIYHSUVUBWOOIS-IBGZPJMESA-N 1 0 319.537 3.271 10 30 DGEERO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000086279401 431844376 /nfs/dbraw/zinc/84/43/76/431844376.db2.gz HEIPUXONKGSMSI-ZDUSSCGKSA-N 1 0 306.369 3.496 10 30 DGEERO Cc1cc(C)c(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1C ZINC000122899372 431848144 /nfs/dbraw/zinc/84/81/44/431848144.db2.gz NYDHBKOXNWJSTL-UHFFFAOYSA-N 1 0 320.440 3.201 10 30 DGEERO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000123061685 431853521 /nfs/dbraw/zinc/85/35/21/431853521.db2.gz GXQOZUTVXDERRF-GOSISDBHSA-N 1 0 309.413 3.041 10 30 DGEERO C=C(C)COc1cc(C[NH+]2CCC([C@H](C)O)CC2)ccc1OC ZINC000092971036 431911790 /nfs/dbraw/zinc/91/17/90/431911790.db2.gz ZQYZOXUSEQJWBR-HNNXBMFYSA-N 1 0 319.445 3.243 10 30 DGEERO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644455 431915063 /nfs/dbraw/zinc/91/50/63/431915063.db2.gz GHTAHDKHWUOSEB-NVXWUHKLSA-N 1 0 318.461 3.175 10 30 DGEERO C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093644503 431915476 /nfs/dbraw/zinc/91/54/76/431915476.db2.gz DHABWNVALKDXFQ-SJLPKXTDSA-N 1 0 300.446 3.003 10 30 DGEERO C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000093644504 431915851 /nfs/dbraw/zinc/91/58/51/431915851.db2.gz DHABWNVALKDXFQ-FUHWJXTLSA-N 1 0 300.446 3.003 10 30 DGEERO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000093644458 431916217 /nfs/dbraw/zinc/91/62/17/431916217.db2.gz GHTAHDKHWUOSEB-RDJZCZTQSA-N 1 0 318.461 3.175 10 30 DGEERO C=CCCC[N@@H+](C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000093533595 431916312 /nfs/dbraw/zinc/91/63/12/431916312.db2.gz TUELDWHZRYAQPZ-UHFFFAOYSA-N 1 0 303.402 3.409 10 30 DGEERO Cc1cc(C)cc(CC[NH2+]Cc2cnc3ccc(C#N)cn23)c1 ZINC000124057698 431882034 /nfs/dbraw/zinc/88/20/34/431882034.db2.gz UYTCNPLZCKHNQW-UHFFFAOYSA-N 1 0 304.397 3.155 10 30 DGEERO Cc1ccc([C@@H]2CCCCN2CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000124709684 431902501 /nfs/dbraw/zinc/90/25/01/431902501.db2.gz OOIQGQBHXRURBF-YJBOKZPZSA-N 1 0 317.433 3.170 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248146582 432272236 /nfs/dbraw/zinc/27/22/36/432272236.db2.gz ZSXLACOJPHWSIL-OALUTQOASA-N 1 0 319.408 3.042 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(C4CC4)cc3)n2c1 ZINC000191683028 432290863 /nfs/dbraw/zinc/29/08/63/432290863.db2.gz LCKSPRVYXRFSOQ-UHFFFAOYSA-N 1 0 302.381 3.373 10 30 DGEERO N#Cc1ccccc1Cn1cccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249114994 432340460 /nfs/dbraw/zinc/34/04/60/432340460.db2.gz BBJOWDBYACRKGX-XUVXKRRUSA-N 1 0 321.424 3.065 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248637934 432308848 /nfs/dbraw/zinc/30/88/48/432308848.db2.gz VTVNPHWGFHOGTG-LZLYRXPVSA-N 1 0 315.461 3.011 10 30 DGEERO CCn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000284717639 281652377 /nfs/dbraw/zinc/65/23/77/281652377.db2.gz LFASJFRFEMOYDD-GOSISDBHSA-N 1 0 324.428 3.032 10 30 DGEERO CCN(CC)C(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000262481673 432488625 /nfs/dbraw/zinc/48/86/25/432488625.db2.gz RRXQUQUNFJRUOJ-RKDXNWHRSA-N 1 0 316.268 3.023 10 30 DGEERO C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000185985725 432551925 /nfs/dbraw/zinc/55/19/25/432551925.db2.gz BGALENSHWKLFCC-AWEZNQCLSA-N 1 0 309.413 3.407 10 30 DGEERO C=C(C)[C@@H]([NH2+]C[C@H](O)COCCCC)c1ccc(F)c(F)c1 ZINC000195219710 432611958 /nfs/dbraw/zinc/61/19/58/432611958.db2.gz CMQDATWUIGHLRF-WMLDXEAASA-N 1 0 313.388 3.349 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000273412462 432594786 /nfs/dbraw/zinc/59/47/86/432594786.db2.gz IAZYPYKOUJKWIP-QMTHXVAHSA-N 1 0 314.198 3.102 10 30 DGEERO C=CCNC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000156480894 432599065 /nfs/dbraw/zinc/59/90/65/432599065.db2.gz LQTRQHGQPNXJCT-RDJZCZTQSA-N 1 0 301.434 3.039 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000186699134 432624407 /nfs/dbraw/zinc/62/44/07/432624407.db2.gz NTXHWNOXOPCZCO-RDJZCZTQSA-N 1 0 313.445 3.385 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000186712434 432625133 /nfs/dbraw/zinc/62/51/33/432625133.db2.gz HJXFCQXRLJJXEA-PWSUYJOCSA-N 1 0 314.223 3.045 10 30 DGEERO CCCn1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000177715402 432653996 /nfs/dbraw/zinc/65/39/96/432653996.db2.gz HWTZGYNUHUCAHT-UHFFFAOYSA-N 1 0 321.346 3.453 10 30 DGEERO C=C[C@@H](CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000160247262 432712505 /nfs/dbraw/zinc/71/25/05/432712505.db2.gz DWROFNNPOSSKRN-FUHWJXTLSA-N 1 0 302.462 3.439 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000265609714 432714194 /nfs/dbraw/zinc/71/41/94/432714194.db2.gz ZPXWFINGLWFTJH-OAHLLOKOSA-N 1 0 307.438 3.270 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000265671013 432721021 /nfs/dbraw/zinc/72/10/21/432721021.db2.gz ZMYMXIAYWQGMSK-UHFFFAOYSA-N 1 0 318.339 3.069 10 30 DGEERO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c(F)c1 ZINC000160904930 432749929 /nfs/dbraw/zinc/74/99/29/432749929.db2.gz AAWMLJZKADUARA-HNNXBMFYSA-N 1 0 310.376 3.026 10 30 DGEERO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000246055708 432875020 /nfs/dbraw/zinc/87/50/20/432875020.db2.gz VHJWZNYBVIFNIV-OTWHNJEPSA-N 1 0 313.445 3.084 10 30 DGEERO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1C ZINC000330267027 432900861 /nfs/dbraw/zinc/90/08/61/432900861.db2.gz QFURUEORXBLTSE-XKQJLSEDSA-N 1 0 302.418 3.437 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1Cl ZINC000330268060 432901383 /nfs/dbraw/zinc/90/13/83/432901383.db2.gz QXXGEPKTIJRSBL-COLVAYQJSA-N 1 0 308.809 3.474 10 30 DGEERO C(#Cc1ccccc1)C[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278826637 432906280 /nfs/dbraw/zinc/90/62/80/432906280.db2.gz HYUJWXQUWGAAIM-UHFFFAOYSA-N 1 0 319.452 3.451 10 30 DGEERO C#CCCOc1ccc(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000289384583 432952199 /nfs/dbraw/zinc/95/21/99/432952199.db2.gz MTKKIEDOVDCXLL-UHFFFAOYSA-N 1 0 321.424 3.112 10 30 DGEERO N#Cc1cnc2ccc(Cl)cc2c1N1CCC2(CC[NH2+]2)CC1 ZINC000333232060 433042697 /nfs/dbraw/zinc/04/26/97/433042697.db2.gz CFLJBQVNIBGFSC-UHFFFAOYSA-N 1 0 312.804 3.092 10 30 DGEERO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000280585457 433097100 /nfs/dbraw/zinc/09/71/00/433097100.db2.gz HXZFMRUERUUABQ-JOYOIKCWSA-N 1 0 306.353 3.233 10 30 DGEERO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000446845893 433119416 /nfs/dbraw/zinc/11/94/16/433119416.db2.gz SHQCHCOJMOLAJH-IAGOWNOFSA-N 1 0 304.482 3.422 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000425358730 433197658 /nfs/dbraw/zinc/19/76/58/433197658.db2.gz UOGBYBHYYGNVSG-FFGOWVMKSA-N 1 0 314.473 3.078 10 30 DGEERO C=CCN(CC=C)C(=O)CN1CC[C@@](F)(c2ccccc2C)C1 ZINC000337429904 433233527 /nfs/dbraw/zinc/23/35/27/433233527.db2.gz AUENUFSHTGYVOD-IBGZPJMESA-N 1 0 316.420 3.066 10 30 DGEERO C=CCC[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000375176914 433384652 /nfs/dbraw/zinc/38/46/52/433384652.db2.gz XYPLYAHCPNIVTR-GOSISDBHSA-N 1 0 313.445 3.184 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(C)c2)CC1 ZINC000454530604 433466048 /nfs/dbraw/zinc/46/60/48/433466048.db2.gz BHSKOWYIXCBNOR-HNNXBMFYSA-N 1 0 301.434 3.006 10 30 DGEERO C[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000248050712 290131565 /nfs/dbraw/zinc/13/15/65/290131565.db2.gz NUNKYHZDOSAMBT-IAGOWNOFSA-N 1 0 311.429 3.022 10 30 DGEERO N#Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000301335979 433511927 /nfs/dbraw/zinc/51/19/27/433511927.db2.gz CYWJUSNGQSZYOT-UHFFFAOYSA-N 1 0 320.440 3.419 10 30 DGEERO Cc1cc(NCCC[N@@H+]2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000301751942 433706034 /nfs/dbraw/zinc/70/60/34/433706034.db2.gz BIHFKWWGEMGURD-UHFFFAOYSA-N 1 0 320.440 3.430 10 30 DGEERO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N(C)C(=O)OC(C)(C)C ZINC000283355961 433710558 /nfs/dbraw/zinc/71/05/58/433710558.db2.gz MUDDAKPQBDIMHS-KGLIPLIRSA-N 1 0 317.433 3.464 10 30 DGEERO C=CCN(CCc1ccco1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427460609 433712732 /nfs/dbraw/zinc/71/27/32/433712732.db2.gz UXGKTNHVTJGOOM-UHFFFAOYSA-N 1 0 318.461 3.349 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000449547471 433752046 /nfs/dbraw/zinc/75/20/46/433752046.db2.gz IFJOYPDZHVZLQF-CABCVRRESA-N 1 0 310.319 3.400 10 30 DGEERO C=C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000362632183 433799378 /nfs/dbraw/zinc/79/93/78/433799378.db2.gz YYQSEJVCCWYOHT-CCNLRDMRSA-N 1 0 313.445 3.056 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H]2NCCc3ccccc32)cc1 ZINC000414951381 433935443 /nfs/dbraw/zinc/93/54/43/433935443.db2.gz GQNNVKGEXDNIDK-FQEVSTJZSA-N 1 0 308.425 3.228 10 30 DGEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000285100004 433918918 /nfs/dbraw/zinc/91/89/18/433918918.db2.gz LTKZOBPROUFCSN-APWZRJJASA-N 1 0 306.409 3.238 10 30 DGEERO C[N@@H+]1CCC[C@H](CNC(=O)CC(C)(C)C#N)[C@H]1c1cccs1 ZINC000377461798 433885529 /nfs/dbraw/zinc/88/55/29/433885529.db2.gz BNCMIKUIRUGTRS-CJNGLKHVSA-N 1 0 319.474 3.187 10 30 DGEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000305059916 434030419 /nfs/dbraw/zinc/03/04/19/434030419.db2.gz GGAHPCBESOPSCJ-YOEHRIQHSA-N 1 0 305.418 3.168 10 30 DGEERO C=CCC[C@@H](NC(=O)N1CCn2cc(C)nc2C1)c1ccccc1 ZINC000363702690 434123049 /nfs/dbraw/zinc/12/30/49/434123049.db2.gz SHHXIORFMPZLTK-QGZVFWFLSA-N 1 0 324.428 3.424 10 30 DGEERO C#CCCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000363725054 434127259 /nfs/dbraw/zinc/12/72/59/434127259.db2.gz PEJYYXYGURXRJL-VAMGGRTRSA-N 1 0 324.468 3.207 10 30 DGEERO C#CCC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000365034135 434289134 /nfs/dbraw/zinc/28/91/34/434289134.db2.gz CTQAJAMNHWUBGQ-ALOPSCKCSA-N 1 0 302.462 3.092 10 30 DGEERO C[C@H]1CCC[C@@](C#N)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000408229672 299874422 /nfs/dbraw/zinc/87/44/22/299874422.db2.gz VOHJFPOIYXRPFJ-MAUKXSAKSA-N 1 0 305.466 3.087 10 30 DGEERO C=C(C)[C@@H](NCc1nccnc1OC)c1ccc(F)c(F)c1 ZINC000295361392 434329318 /nfs/dbraw/zinc/32/93/18/434329318.db2.gz JEXJWUCGMASPPN-OAHLLOKOSA-N 1 0 305.328 3.170 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329248258 434378790 /nfs/dbraw/zinc/37/87/90/434378790.db2.gz AHJVAEKRZMCBSH-HUUCEWRRSA-N 1 0 309.454 3.210 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1F ZINC000358557380 434395731 /nfs/dbraw/zinc/39/57/31/434395731.db2.gz BNAFSFKDZASREV-GFCCVEGCSA-N 1 0 312.344 3.319 10 30 DGEERO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596871 434398197 /nfs/dbraw/zinc/39/81/97/434398197.db2.gz WIUQAANHGHDVBI-GDBMZVCRSA-N 1 0 303.425 3.468 10 30 DGEERO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1F ZINC000358574104 434400242 /nfs/dbraw/zinc/40/02/42/434400242.db2.gz ROKRLPDHCZGBDX-UKRRQHHQSA-N 1 0 310.376 3.022 10 30 DGEERO N#Cc1cc(Br)ccc1CN1CCCSCC1 ZINC000287657657 434418651 /nfs/dbraw/zinc/41/86/51/434418651.db2.gz GYDKMRRZWRRHEQ-UHFFFAOYSA-N 1 0 311.248 3.260 10 30 DGEERO C=CCC[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417912848 434548357 /nfs/dbraw/zinc/54/83/57/434548357.db2.gz OZGMOOASOXRCGR-SJORKVTESA-N 1 0 301.434 3.135 10 30 DGEERO C=CCOCC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1 ZINC000368474337 434574647 /nfs/dbraw/zinc/57/46/47/434574647.db2.gz IHMSMJXVTKNSAA-UHFFFAOYSA-N 1 0 305.809 3.033 10 30 DGEERO C=C(C)CN(CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000371062178 434638727 /nfs/dbraw/zinc/63/87/27/434638727.db2.gz AUNNQHAZQYTWRP-IRXDYDNUSA-N 1 0 319.424 3.179 10 30 DGEERO C=CCN1CC[C@@H]([N@@H+](C)[C@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382865 434644754 /nfs/dbraw/zinc/64/47/54/434644754.db2.gz BSPUGXHXIOPOMH-QZTJIDSGSA-N 1 0 318.436 3.112 10 30 DGEERO Cn1nccc1[C@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000369615222 434599864 /nfs/dbraw/zinc/59/98/64/434599864.db2.gz KAFKOGISJAWQOV-QGZVFWFLSA-N 1 0 316.449 3.048 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000424178482 434646125 /nfs/dbraw/zinc/64/61/25/434646125.db2.gz WGVYUAKLSRBXAU-HZMBPMFUSA-N 1 0 314.198 3.269 10 30 DGEERO C=CC[NH+]1CCC(N[C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453101368 434800285 /nfs/dbraw/zinc/80/02/85/434800285.db2.gz NXVAYPUJECWOIV-MRXNPFEDSA-N 1 0 324.472 3.388 10 30 DGEERO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000361115190 434801748 /nfs/dbraw/zinc/80/17/48/434801748.db2.gz WOPNXSGCWBYWKL-APWZRJJASA-N 1 0 317.429 3.021 10 30 DGEERO N#C[C@H](C(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccn1 ZINC000554007335 434909020 /nfs/dbraw/zinc/90/90/20/434909020.db2.gz WFJKDFKHHMDDNQ-KRWDZBQOSA-N 1 0 305.381 3.167 10 30 DGEERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000528761524 435029325 /nfs/dbraw/zinc/02/93/25/435029325.db2.gz ZBVPJKVSVQVLIC-JNIYBQFBSA-N 1 0 323.234 3.222 10 30 DGEERO CC#CCCCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000464550953 434992660 /nfs/dbraw/zinc/99/26/60/434992660.db2.gz QNEMJJKNLANYKE-UHFFFAOYSA-N 1 0 312.457 3.482 10 30 DGEERO C=CC[N@@H+](CCC(C)(C)C(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000527218893 435012252 /nfs/dbraw/zinc/01/22/52/435012252.db2.gz MCLKOVZLHZGTND-UHFFFAOYSA-N 1 0 320.389 3.172 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000532977187 435203070 /nfs/dbraw/zinc/20/30/70/435203070.db2.gz HOZRJHKRYDOTLY-UHFFFAOYSA-N 1 0 316.323 3.422 10 30 DGEERO C=C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C[NH3+])c1ccccc1 ZINC000565040868 435275229 /nfs/dbraw/zinc/27/52/29/435275229.db2.gz PWXMRTWHGZBNTI-OXQOHEQNSA-N 1 0 320.436 3.431 10 30 DGEERO C=CCC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)C1CC1 ZINC000477949801 435284722 /nfs/dbraw/zinc/28/47/22/435284722.db2.gz XRZPBRAANNPASV-RDTXWAMCSA-N 1 0 309.400 3.450 10 30 DGEERO C=CCn1c(SC[C@H](C)[NH+](C)C)nnc1-c1ccc(C)cc1 ZINC000479111769 435320528 /nfs/dbraw/zinc/32/05/28/435320528.db2.gz YSBUALYHFIKVJE-AWEZNQCLSA-N 1 0 316.474 3.482 10 30 DGEERO COc1ccc(OCC[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512653767 435362177 /nfs/dbraw/zinc/36/21/77/435362177.db2.gz GSBLTBZRBMMVNZ-CYBMUJFWSA-N 1 0 314.360 3.436 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000539198958 435541332 /nfs/dbraw/zinc/54/13/32/435541332.db2.gz XVGWUIYPFWWLOT-HNNXBMFYSA-N 1 0 320.481 3.230 10 30 DGEERO C[N@@H+]1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000572831301 435874185 /nfs/dbraw/zinc/87/41/85/435874185.db2.gz JTQLDOZUMWLVHH-BFYDXBDKSA-N 1 0 316.474 3.164 10 30 DGEERO N#Cc1cnccc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000376939799 313000909 /nfs/dbraw/zinc/00/09/09/313000909.db2.gz BOUUGKQNJVSWNI-UHFFFAOYSA-N 1 0 320.440 3.098 10 30 DGEERO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CC=CCC1 ZINC000543175539 314118564 /nfs/dbraw/zinc/11/85/64/314118564.db2.gz CTNVYWPUPJURIJ-CYBMUJFWSA-N 1 0 317.820 3.438 10 30 DGEERO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000551425893 314561322 /nfs/dbraw/zinc/56/13/22/314561322.db2.gz PIILUJIVKWNDSR-BEFAXECRSA-N 1 0 322.408 3.068 10 30 DGEERO CC[NH+](CC)CCN(Cc1ccccc1)c1nc(C)cc(C#N)n1 ZINC000561233874 314960041 /nfs/dbraw/zinc/96/00/41/314960041.db2.gz POKZDJZPMAAKOX-UHFFFAOYSA-N 1 0 323.444 3.005 10 30 DGEERO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc2c(c1)OCO2 ZINC000182304240 323292153 /nfs/dbraw/zinc/29/21/53/323292153.db2.gz XXHQFJLQLDPDAS-CYBMUJFWSA-N 1 0 310.353 3.017 10 30 DGEERO C=C(C)C[N@H+](CCc1ncc(C)cc1C)Cc1ccc(CO)o1 ZINC000566162939 332008844 /nfs/dbraw/zinc/00/88/44/332008844.db2.gz NPXJHAZFQDCWII-UHFFFAOYSA-N 1 0 314.429 3.405 10 30 DGEERO C=CCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000181161832 332186869 /nfs/dbraw/zinc/18/68/69/332186869.db2.gz KKLMSQBXVYMXJS-HXUWFJFHSA-N 1 0 308.425 3.285 10 30 DGEERO C=CCOc1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000565363837 333399725 /nfs/dbraw/zinc/39/97/25/333399725.db2.gz VJOPNNIUGMPCGB-OALUTQOASA-N 1 0 300.446 3.358 10 30 DGEERO C=CCOc1ccccc1CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000414956714 334209611 /nfs/dbraw/zinc/20/96/11/334209611.db2.gz OXSSBRPWHNXNIC-IBGZPJMESA-N 1 0 308.425 3.228 10 30 DGEERO C#Cc1ccc(C[NH2+][C@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000368015930 336834711 /nfs/dbraw/zinc/83/47/11/336834711.db2.gz JNFSLPCDFXZIGI-INIZCTEOSA-N 1 0 311.816 3.085 10 30 DGEERO C=CCCCCCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000582794891 337168840 /nfs/dbraw/zinc/16/88/40/337168840.db2.gz SOGGBHVEJKWVIT-UHFFFAOYSA-N 1 0 303.450 3.294 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000185064167 337202793 /nfs/dbraw/zinc/20/27/93/337202793.db2.gz KNWAAIJFZNLFTI-JKSUJKDBSA-N 1 0 300.446 3.152 10 30 DGEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)C1 ZINC000248876701 337568201 /nfs/dbraw/zinc/56/82/01/337568201.db2.gz RCTOOWYIMYGMAX-BYCMXARLSA-N 1 0 323.234 3.154 10 30 DGEERO C=CCc1cc(C[NH2+]CC[C@@H]2CCCOC2)cc(OC)c1O ZINC000527736748 337759836 /nfs/dbraw/zinc/75/98/36/337759836.db2.gz GGFKGKBUXGTMDO-AWEZNQCLSA-N 1 0 305.418 3.036 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc(OC)c1O ZINC000527804172 337764983 /nfs/dbraw/zinc/76/49/83/337764983.db2.gz NINAYEULXXXQKU-FJZAXULXSA-N 1 0 305.418 3.031 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(Br)c1F ZINC000424168327 337790713 /nfs/dbraw/zinc/79/07/13/337790713.db2.gz FKQSSMJBTHFKPP-GWCFXTLKSA-N 1 0 314.198 3.269 10 30 DGEERO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CCc2ccccc2)C1=O ZINC000499594412 340040178 /nfs/dbraw/zinc/04/01/78/340040178.db2.gz SVYYRSWQXATZSL-RBUKOAKNSA-N 1 0 312.457 3.261 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)OC)C2)cc1Cl ZINC000506294489 340191416 /nfs/dbraw/zinc/19/14/16/340191416.db2.gz LCECMCWOYLLSAW-AWEZNQCLSA-N 1 0 323.820 3.290 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000516874308 340457638 /nfs/dbraw/zinc/45/76/38/340457638.db2.gz WYLJZJFRADEDBT-MRXNPFEDSA-N 1 0 323.440 3.486 10 30 DGEERO Cn1ccc([C@H]([NH2+]CCCCC#N)c2ccc(Cl)cc2)n1 ZINC000541734986 340981399 /nfs/dbraw/zinc/98/13/99/340981399.db2.gz QBYGHZIWJZKXJU-MRXNPFEDSA-N 1 0 302.809 3.446 10 30 DGEERO CC1(C#N)CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000542810431 341021426 /nfs/dbraw/zinc/02/14/26/341021426.db2.gz UFUOWGLJEAHERV-SFHVURJKSA-N 1 0 324.424 3.205 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000545272423 341118415 /nfs/dbraw/zinc/11/84/15/341118415.db2.gz HAILSMWVONNSQQ-YOEHRIQHSA-N 1 0 304.434 3.054 10 30 DGEERO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000547624146 341223553 /nfs/dbraw/zinc/22/35/53/341223553.db2.gz QHVCCJKCRWVCCV-CYBMUJFWSA-N 1 0 317.458 3.372 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)C(C)C ZINC000550713554 341321982 /nfs/dbraw/zinc/32/19/82/341321982.db2.gz DFSJSPMKEAOOSV-ZMMAXQRCSA-N 1 0 304.478 3.237 10 30 DGEERO C=C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])c1ccccc1 ZINC000565040869 341515625 /nfs/dbraw/zinc/51/56/25/341515625.db2.gz PWXMRTWHGZBNTI-UZLBHIALSA-N 1 0 320.436 3.431 10 30 DGEERO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000299993428 341728584 /nfs/dbraw/zinc/72/85/84/341728584.db2.gz XZUATLFVBIFMDR-SOUVJXGZSA-N 1 0 309.454 3.304 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000118397974 500931732 /nfs/dbraw/zinc/93/17/32/500931732.db2.gz OAINVXBBWLQKBU-OAHLLOKOSA-N 1 0 321.428 3.010 10 30 DGEERO COc1ccccc1N1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000181990968 534145234 /nfs/dbraw/zinc/14/52/34/534145234.db2.gz FRVPWZRJTWMDFW-OAHLLOKOSA-N 1 0 301.434 3.193 10 30 DGEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C ZINC000036104453 518305125 /nfs/dbraw/zinc/30/51/25/518305125.db2.gz KAUKFOFVAXKEBC-NRFANRHFSA-N 1 0 323.436 3.008 10 30 DGEERO Fc1ccc(C#CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000130361936 534463015 /nfs/dbraw/zinc/46/30/15/534463015.db2.gz VORSMJICJWHYMR-KRWDZBQOSA-N 1 0 309.388 3.006 10 30 DGEERO Cc1ccc[n+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000160077967 534547614 /nfs/dbraw/zinc/54/76/14/534547614.db2.gz MKCIBDWUAFLQMS-HNNXBMFYSA-N 1 0 305.760 3.053 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000451671375 534574971 /nfs/dbraw/zinc/57/49/71/534574971.db2.gz FTNYGGZWIQHAMM-CABCVRRESA-N 1 0 302.349 3.304 10 30 DGEERO C=CCCC[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451426978 534757308 /nfs/dbraw/zinc/75/73/08/534757308.db2.gz ZIEZMWMEJPLXIC-WMZOPIPTSA-N 1 0 317.477 3.361 10 30 DGEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000154589922 534776950 /nfs/dbraw/zinc/77/69/50/534776950.db2.gz CAUROGUPCPBOQS-SFHVURJKSA-N 1 0 313.832 3.361 10 30 DGEERO C=CCN(CCc1ccco1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418281951 526318338 /nfs/dbraw/zinc/31/83/38/526318338.db2.gz FXHUBNQSLYNHCF-UHFFFAOYSA-N 1 0 319.449 3.071 10 30 DGEERO C=CC[N@@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352700487 526327250 /nfs/dbraw/zinc/32/72/50/526327250.db2.gz QEHHURLNQDURPF-UHFFFAOYSA-N 1 0 316.357 3.427 10 30 DGEERO C=CCN(Cc1ccccc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431770827 526352203 /nfs/dbraw/zinc/35/22/03/526352203.db2.gz GRLVZNNOBZXSFU-GOSISDBHSA-N 1 0 300.446 3.466 10 30 DGEERO C=C(C)CC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000352423413 526456954 /nfs/dbraw/zinc/45/69/54/526456954.db2.gz XNEZKINDLIANLD-GOEBONIOSA-N 1 0 310.800 3.307 10 30 DGEERO C=C(C)C[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000351062374 526502869 /nfs/dbraw/zinc/50/28/69/526502869.db2.gz ITYXENWIHCHLPB-MRXNPFEDSA-N 1 0 300.446 3.322 10 30 DGEERO C=CCN1CC[C@H]([NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)C1=O ZINC000337178211 526514774 /nfs/dbraw/zinc/51/47/74/526514774.db2.gz KKKYMBPEKIEEQR-BEFAXECRSA-N 1 0 321.424 3.186 10 30 DGEERO C=C(C)CN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183466881 526603828 /nfs/dbraw/zinc/60/38/28/526603828.db2.gz LSIKGFJZHUGCLU-UHFFFAOYSA-N 1 0 303.406 3.033 10 30 DGEERO C=C(C)C[NH+]1CCC(NCc2cnc(CC(C)C)s2)CC1 ZINC000162550210 526604086 /nfs/dbraw/zinc/60/40/86/526604086.db2.gz RSFYXCNLPWGYTR-UHFFFAOYSA-N 1 0 307.507 3.472 10 30 DGEERO C=C(C)C[N@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000441218886 526607616 /nfs/dbraw/zinc/60/76/16/526607616.db2.gz UORFKOLKHUPYKI-LPHOPBHVSA-N 1 0 301.478 3.498 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000185392753 526703341 /nfs/dbraw/zinc/70/33/41/526703341.db2.gz ZCPDZXGOLSFSFI-MRXNPFEDSA-N 1 0 315.461 3.369 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000352383708 526866977 /nfs/dbraw/zinc/86/69/77/526866977.db2.gz MLFAACYMIUFBSG-QGZVFWFLSA-N 1 0 311.429 3.365 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000430150437 526869650 /nfs/dbraw/zinc/86/96/50/526869650.db2.gz RZSJZOYYAIUFOY-GOSISDBHSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCOc1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000348653738 526873206 /nfs/dbraw/zinc/87/32/06/526873206.db2.gz WVNAQUGBKDTLCU-FUHWJXTLSA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2ncccc2O)cc1Cl ZINC000355284644 526887372 /nfs/dbraw/zinc/88/73/72/526887372.db2.gz CXHWLAPCQKXQRC-UHFFFAOYSA-N 1 0 304.777 3.295 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](OCC)[C@]12CCCO2 ZINC000358570628 526952138 /nfs/dbraw/zinc/95/21/38/526952138.db2.gz NJITWUQPUOFKQT-QRVBRYPASA-N 1 0 317.429 3.068 10 30 DGEERO C=CCSCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000358024767 527004743 /nfs/dbraw/zinc/00/47/43/527004743.db2.gz MTQJNXYRLBXWOQ-GFCCVEGCSA-N 1 0 322.865 3.491 10 30 DGEERO C=CC[C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342098172 527026893 /nfs/dbraw/zinc/02/68/93/527026893.db2.gz DUOARFFNFVQVLF-SJLPKXTDSA-N 1 0 315.461 3.305 10 30 DGEERO C=CCCC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183251349 527075891 /nfs/dbraw/zinc/07/58/91/527075891.db2.gz ZEMCSMQXJQJIBL-IEBWSBKVSA-N 1 0 314.429 3.055 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000184276432 527101405 /nfs/dbraw/zinc/10/14/05/527101405.db2.gz XZKBVQJFZQPYLG-INIZCTEOSA-N 1 0 307.397 3.052 10 30 DGEERO CC(C)(C#N)CCC[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000174812053 527461829 /nfs/dbraw/zinc/46/18/29/527461829.db2.gz CXXZXANCYKKUDP-UHFFFAOYSA-N 1 0 319.493 3.431 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433322210 527586652 /nfs/dbraw/zinc/58/66/52/527586652.db2.gz XCQIVIMHRSZVNK-CQSZACIVSA-N 1 0 314.351 3.256 10 30 DGEERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1C ZINC000442875925 527871263 /nfs/dbraw/zinc/87/12/63/527871263.db2.gz XFFVFHSSLUQBRR-BFHKSVSOSA-N 1 0 306.450 3.274 10 30 DGEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000181494520 528697189 /nfs/dbraw/zinc/69/71/89/528697189.db2.gz CXXCZRGDALDAID-HZPDHXFCSA-N 1 0 323.440 3.499 10 30 DGEERO CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426743 547031891 /nfs/dbraw/zinc/03/18/91/547031891.db2.gz RWNUJTHFNLDRLE-NVXWUHKLSA-N 1 0 301.434 3.225 10 30 DGEERO C#Cc1cccc(NC(=S)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000730731945 574534821 /nfs/dbraw/zinc/53/48/21/574534821.db2.gz SMUMKUFUUZNFMV-HUUCEWRRSA-N 1 0 315.486 3.217 10 30 DGEERO C#CC[N@@H+](Cc1ccc(F)cc1C(=O)OC)C1CCCCC1 ZINC000728918273 575193907 /nfs/dbraw/zinc/19/39/07/575193907.db2.gz UGEYTGKSKSXKDV-UHFFFAOYSA-N 1 0 303.377 3.380 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccc(N(C)C)c(F)c2)c1 ZINC000104181864 617962643 /nfs/dbraw/zinc/96/26/43/617962643.db2.gz JDMJCUAXGIJVMW-UHFFFAOYSA-N 1 0 300.381 3.127 10 30 DGEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119564076 621695451 /nfs/dbraw/zinc/69/54/51/621695451.db2.gz DPMUAIROZVOOAI-NUEKZKHPSA-N 1 0 313.445 3.396 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000121093191 622129435 /nfs/dbraw/zinc/12/94/35/622129435.db2.gz WUDABCQRSOIDOW-OAHLLOKOSA-N 1 0 320.396 3.122 10 30 DGEERO N#CCCN(CC1CC1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000122730067 622396955 /nfs/dbraw/zinc/39/69/55/622396955.db2.gz JCDAEHOZACEZFB-INIZCTEOSA-N 1 0 317.820 3.459 10 30 DGEERO [NH2+]=C(NC[C@H]1CCCO1)NCC1(c2cccs2)CCCCC1 ZINC000125453367 623460463 /nfs/dbraw/zinc/46/04/63/623460463.db2.gz RVHKYXXBCUJWOE-CQSZACIVSA-N 1 0 321.490 3.033 10 30 DGEERO C#CCOc1ccc(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)cc1 ZINC000128205975 624796334 /nfs/dbraw/zinc/79/63/34/624796334.db2.gz JHRXZEWKOOUNJH-PKOBYXMFSA-N 1 0 301.430 3.120 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)/C=C\c1ccc(Cl)nc1 ZINC000255069049 655591395 /nfs/dbraw/zinc/59/13/95/655591395.db2.gz TXAOREBOLDNEHG-RBJHHQRMSA-N 1 0 320.820 3.025 10 30 DGEERO C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC(F)(F)F ZINC000724055874 655739408 /nfs/dbraw/zinc/73/94/08/655739408.db2.gz BSLCTKYOJVKIRO-NKWVEPMBSA-N 1 0 317.220 3.113 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1 ZINC000157765855 655827385 /nfs/dbraw/zinc/82/73/85/655827385.db2.gz UPUMBMWXOOXNBZ-LJQANCHMSA-N 1 0 315.388 3.388 10 30 DGEERO C(#Cc1ccccc1)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745442 655880442 /nfs/dbraw/zinc/88/04/42/655880442.db2.gz UCPGHETWXSWXNX-NRFANRHFSA-N 1 0 304.437 3.150 10 30 DGEERO CCc1nc(CNC(NC2C[C@H](C)C[C@H](C)C2)=[NH+]C)cs1 ZINC000330363233 656178931 /nfs/dbraw/zinc/17/89/31/656178931.db2.gz DRMHTCWSLLMPFX-FUNVUKJBSA-N 1 0 308.495 3.195 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1cc(Cl)ccc1Br ZINC000716932240 661234127 /nfs/dbraw/zinc/23/41/27/661234127.db2.gz CBZBDSZKAASBNM-GFCCVEGCSA-N 1 0 316.626 3.230 10 30 DGEERO C#CCOc1ccccc1CNCC[N@@H+](C)C1CCCCC1 ZINC000237158637 657337151 /nfs/dbraw/zinc/33/71/51/657337151.db2.gz ZXTHSIWWTGUPGB-UHFFFAOYSA-N 1 0 300.446 3.053 10 30 DGEERO CC(C)(CNC(=[NH2+])NCCc1cccs1)Cc1ccccc1 ZINC000304762107 657650129 /nfs/dbraw/zinc/65/01/29/657650129.db2.gz VIPDWYSYUZYYNT-UHFFFAOYSA-N 1 0 315.486 3.464 10 30 DGEERO Cc1ccc([C@@H](C)CNC(=[NH2+])NCCc2cccs2)cc1 ZINC000304765323 657650168 /nfs/dbraw/zinc/65/01/68/657650168.db2.gz ZCJMYUNCUPLTQO-AWEZNQCLSA-N 1 0 301.459 3.307 10 30 DGEERO CCOc1ccc(CNC(=[NH2+])NC2CCCCCC2)cc1F ZINC000305750629 658001660 /nfs/dbraw/zinc/00/16/60/658001660.db2.gz ZSMYJMYZNCRNSC-UHFFFAOYSA-N 1 0 307.413 3.352 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H]2COC3(CCCCCC3)O2)c1 ZINC000305835817 658067904 /nfs/dbraw/zinc/06/79/04/658067904.db2.gz PUHKEDMUFAGXFB-INIZCTEOSA-N 1 0 317.433 3.188 10 30 DGEERO CC[C@@H](C)C[N@H+](CC)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000174944218 659913868 /nfs/dbraw/zinc/91/38/68/659913868.db2.gz FQBXICIIEXRHQI-CQSZACIVSA-N 1 0 311.433 3.451 10 30 DGEERO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000182294115 660041908 /nfs/dbraw/zinc/04/19/08/660041908.db2.gz YCFYZWVBGMFENP-CQSZACIVSA-N 1 0 324.380 3.407 10 30 DGEERO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCSC2)ccc1OC ZINC000183603575 660126072 /nfs/dbraw/zinc/12/60/72/660126072.db2.gz XVDHQUHAPDAFMG-HUUCEWRRSA-N 1 0 320.458 3.361 10 30 DGEERO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193318587 662130493 /nfs/dbraw/zinc/13/04/93/662130493.db2.gz HXZUSLHBYYZWLT-QXSJWSMHSA-N 1 0 321.465 3.304 10 30 DGEERO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000246952003 662293281 /nfs/dbraw/zinc/29/32/81/662293281.db2.gz SKYAFYIUVSTMBB-QZTJIDSGSA-N 1 0 317.429 3.273 10 30 DGEERO C#CCOc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000092812725 662336038 /nfs/dbraw/zinc/33/60/38/662336038.db2.gz NHKKOXKQRLDZCS-GOSISDBHSA-N 1 0 321.424 3.028 10 30 DGEERO C#C[C@@](C)(CC)[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000384195408 685170625 /nfs/dbraw/zinc/17/06/25/685170625.db2.gz XUUFSKQJVAHWQU-NHYWBVRUSA-N 1 0 316.228 3.125 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[C@H]1C ZINC000385053733 685172726 /nfs/dbraw/zinc/17/27/26/685172726.db2.gz DDRVJWDGCOTMQD-RISCZKNCSA-N 1 0 308.219 3.349 10 30 DGEERO C=CCNC(=O)C[NH2+]Cc1c(CCCC)oc2ccccc21 ZINC000393851298 1176713743 /nfs/dbraw/zinc/71/37/43/1176713743.db2.gz XRWWLKYUPPLWJV-UHFFFAOYSA-N 1 0 300.402 3.167 10 30 DGEERO C[C@@]1([NH2+]CC#Cc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000406049667 1199602580 /nfs/dbraw/zinc/60/25/80/1199602580.db2.gz GGRGMZRYTWFRQH-OAQYLSRUSA-N 1 0 304.437 3.292 10 30 DGEERO C[NH+](C)CC(C)(C)Nc1ccc(C#N)c(Br)c1F ZINC000308647731 1199703832 /nfs/dbraw/zinc/70/38/32/1199703832.db2.gz NMMUACXIMDXSJR-UHFFFAOYSA-N 1 0 314.202 3.212 10 30 DGEERO C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000309801869 1199710344 /nfs/dbraw/zinc/71/03/44/1199710344.db2.gz KBWLXNNYKFWXRW-RXVVDRJESA-N 1 0 304.437 3.291 10 30 DGEERO C=C(CC)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429142053 1199823823 /nfs/dbraw/zinc/82/38/23/1199823823.db2.gz MYCDDMUBGMTYQS-JKSUJKDBSA-N 1 0 307.821 3.495 10 30 DGEERO C=CCc1cc(C[NH2+][C@H](CC)[C@@H]2CCCO2)cc(OC)c1O ZINC000119787505 1200119344 /nfs/dbraw/zinc/11/93/44/1200119344.db2.gz FUZCVSKVGFYJTP-CVEARBPZSA-N 1 0 305.418 3.177 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CCCO2)cc1OC ZINC000119798613 1200119498 /nfs/dbraw/zinc/11/94/98/1200119498.db2.gz HINWVKZXOVNBOE-CVEARBPZSA-N 1 0 305.418 3.307 10 30 DGEERO C=CCSCC[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000231930350 1202600406 /nfs/dbraw/zinc/60/04/06/1202600406.db2.gz KOLRGQIKILAFBB-CQSZACIVSA-N 1 0 316.511 3.292 10 30 DGEERO C=CCc1cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc(OC)c1O ZINC000157146012 1202602003 /nfs/dbraw/zinc/60/20/03/1202602003.db2.gz YUAATPPPKOBFFC-DLBZAZTESA-N 1 0 317.429 3.177 10 30 DGEERO CC#CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000400928078 1093926296 /nfs/dbraw/zinc/92/62/96/1093926296.db2.gz NAYGNZRCOUIQFQ-ARFHVFGLSA-N 1 0 306.450 3.025 10 30 DGEERO C=CC(C)(C)C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401847363 1093975672 /nfs/dbraw/zinc/97/56/72/1093975672.db2.gz XUHLHODOSMHTQB-INIZCTEOSA-N 1 0 302.418 3.199 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccc(C#N)cc1 ZINC000405924884 1094456798 /nfs/dbraw/zinc/45/67/98/1094456798.db2.gz DPZPGYSWQRQRPN-AWEZNQCLSA-N 1 0 308.381 3.454 10 30 DGEERO CC#CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000717747616 1104400895 /nfs/dbraw/zinc/40/08/95/1104400895.db2.gz FDBNSGVURVJVAX-LJQANCHMSA-N 1 0 309.409 3.130 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719584446 1104955759 /nfs/dbraw/zinc/95/57/59/1104955759.db2.gz PJHWFVQQEYRJHH-CQSZACIVSA-N 1 0 310.235 3.194 10 30 DGEERO N#Cc1ccncc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000310201942 231111895 /nfs/dbraw/zinc/11/18/95/231111895.db2.gz BXUQQBOIYXIRSM-IPMKNSEASA-N 1 0 318.424 3.276 10 30 DGEERO CN(Cc1ccc(CC#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343423305 529984385 /nfs/dbraw/zinc/98/43/85/529984385.db2.gz OPRONIDKFAPDII-NRFANRHFSA-N 1 0 319.452 3.459 10 30 DGEERO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000180946780 334958096 /nfs/dbraw/zinc/95/80/96/334958096.db2.gz BBANYDBVTXCABP-GJZGRUSLSA-N 1 0 324.490 3.332 10 30 DGEERO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000181890716 199364249 /nfs/dbraw/zinc/36/42/49/199364249.db2.gz ZPMGEBGMJWNNNW-MAUKXSAKSA-N 1 0 321.424 3.496 10 30 DGEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2C)[C@H](C)C1 ZINC000177865842 186195971 /nfs/dbraw/zinc/19/59/71/186195971.db2.gz KQPMVMMILRRJAC-RHSMWYFYSA-N 1 0 314.433 3.061 10 30 DGEERO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194107 283058766 /nfs/dbraw/zinc/05/87/66/283058766.db2.gz RDRFENQUSOBWLJ-WOPDTQHZSA-N 1 0 312.339 3.300 10 30 DGEERO C[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000248050709 283120290 /nfs/dbraw/zinc/12/02/90/283120290.db2.gz NUNKYHZDOSAMBT-DLBZAZTESA-N 1 0 311.429 3.022 10 30 DGEERO N#Cc1cccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245827402 283205745 /nfs/dbraw/zinc/20/57/45/283205745.db2.gz FUOZSBBJJYMIIV-IRXDYDNUSA-N 1 0 302.443 3.045 10 30 DGEERO Cn1cc(C[NH2+]CCc2ccsc2)c(-c2ccc(C#N)cc2)n1 ZINC000180044333 432077555 /nfs/dbraw/zinc/07/75/55/432077555.db2.gz WHISYGHRROKYMA-UHFFFAOYSA-N 1 0 322.437 3.353 10 30 DGEERO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)C[C@H]1CCCCO1 ZINC000135185422 432103721 /nfs/dbraw/zinc/10/37/21/432103721.db2.gz HHBXROQYOPQCJS-QGZVFWFLSA-N 1 0 302.418 3.348 10 30 DGEERO C=C(C)COc1cc(C[NH2+]C2(CF)CCOCC2)ccc1OC ZINC000449446080 240208957 /nfs/dbraw/zinc/20/89/57/240208957.db2.gz NZOIVACFWHYEFY-UHFFFAOYSA-N 1 0 323.408 3.258 10 30 DGEERO C=CCOc1ccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc1 ZINC000449456335 240216314 /nfs/dbraw/zinc/21/63/14/240216314.db2.gz FFMYACSKFGPDFS-UHFFFAOYSA-N 1 0 316.445 3.132 10 30 DGEERO C=C(C)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000455309597 242164451 /nfs/dbraw/zinc/16/44/51/242164451.db2.gz LIIGSURRBHXMJD-GDBMZVCRSA-N 1 0 321.490 3.396 10 30 DGEERO COC(=O)[C@@H](c1ccccc1Cl)[N+]1=Cc2ccsc2CC1 ZINC000065739339 283967251 /nfs/dbraw/zinc/96/72/51/283967251.db2.gz MGLOAEFTRZPJLT-OAHLLOKOSA-N 1 0 320.821 3.303 10 30 in-vitro DGEERO C=CCC[C@@H](O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000472735812 244313511 /nfs/dbraw/zinc/31/35/11/244313511.db2.gz RHIWLXFGWMHEIV-LJQANCHMSA-N 1 0 314.473 3.088 10 30 DGEERO CN(C(=O)c1sccc1C#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000494069989 246110676 /nfs/dbraw/zinc/11/06/76/246110676.db2.gz TWECFSFQHZKERZ-UHFFFAOYSA-N 1 0 319.474 3.346 10 30 DGEERO CC[N@@H+]1CC[C@H](N(C)CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246531904 432141520 /nfs/dbraw/zinc/14/15/20/432141520.db2.gz JKMHUVOCLQPBPF-YJBOKZPZSA-N 1 0 304.865 3.354 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181731391 432144388 /nfs/dbraw/zinc/14/43/88/432144388.db2.gz NQOPAXAUQKZDPP-ZDUSSCGKSA-N 1 0 324.380 3.189 10 30 DGEERO N#Cc1cccc(O[C@@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000043023209 183330776 /nfs/dbraw/zinc/33/07/76/183330776.db2.gz MBSLCWNRUKKSAR-HNNXBMFYSA-N 1 0 317.186 3.400 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000106212185 194189638 /nfs/dbraw/zinc/18/96/38/194189638.db2.gz OYWOVEIIYDYGII-QGZVFWFLSA-N 1 0 324.428 3.033 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](CCOc2ccccc2C#N)C1 ZINC000106212187 194189980 /nfs/dbraw/zinc/18/99/80/194189980.db2.gz OYWOVEIIYDYGII-KRWDZBQOSA-N 1 0 324.428 3.033 10 30 DGEERO COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2CCC23CCCC3)c1 ZINC000263287789 532965147 /nfs/dbraw/zinc/96/51/47/532965147.db2.gz VKTOHKFSNOOCHQ-OAHLLOKOSA-N 1 0 303.406 3.153 10 30 DGEERO COc1cccc(N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)c1 ZINC000117390634 194820482 /nfs/dbraw/zinc/82/04/82/194820482.db2.gz DZLUYRUQTCUKEJ-SFHVURJKSA-N 1 0 321.424 3.325 10 30 DGEERO CCCCOC[C@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000248656428 285015113 /nfs/dbraw/zinc/01/51/13/285015113.db2.gz RINAPKVOCJXDGZ-CRAIPNDOSA-N 1 0 304.434 3.119 10 30 DGEERO CC(C)CSCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000120664261 195212069 /nfs/dbraw/zinc/21/20/69/195212069.db2.gz UDFGHBDTECOIBQ-UHFFFAOYSA-N 1 0 302.447 3.075 10 30 DGEERO COc1cc(C#N)ccc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000120681487 195215159 /nfs/dbraw/zinc/21/51/59/195215159.db2.gz SQBCGLCGXAUNCV-UHFFFAOYSA-N 1 0 302.418 3.204 10 30 DGEERO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000182610863 533369243 /nfs/dbraw/zinc/36/92/43/533369243.db2.gz XUWHXTZBXYTURH-OAHLLOKOSA-N 1 0 315.461 3.397 10 30 DGEERO COc1cccc(N2CC[C@H](C[NH2+]CC(C)(C)CCC#N)C2)c1 ZINC000174336676 533584915 /nfs/dbraw/zinc/58/49/15/533584915.db2.gz UGYJXWWFKSWKCI-MRXNPFEDSA-N 1 0 315.461 3.441 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000581378364 400079438 /nfs/dbraw/zinc/07/94/38/400079438.db2.gz IBJZIBPHIGMCHT-KRWDZBQOSA-N 1 0 307.482 3.106 10 30 DGEERO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccccn2)[C@@H]1c1cccnc1 ZINC000328621249 400182460 /nfs/dbraw/zinc/18/24/60/400182460.db2.gz HPSWBZPKBFOLBZ-LPHOPBHVSA-N 1 0 324.428 3.059 10 30 DGEERO C=CC[NH+]1CCC(Nc2cc(CC)nc(-c3ccccn3)n2)CC1 ZINC000068702531 400280341 /nfs/dbraw/zinc/28/03/41/400280341.db2.gz ALAYABABWVQTOC-UHFFFAOYSA-N 1 0 323.444 3.163 10 30 DGEERO C=CCCCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000581318655 400352402 /nfs/dbraw/zinc/35/24/02/400352402.db2.gz CNRGPHFALYTFIS-QGZVFWFLSA-N 1 0 307.482 3.393 10 30 DGEERO Cc1ccc(C#N)nc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000611399371 400393542 /nfs/dbraw/zinc/39/35/42/400393542.db2.gz GVLSBVNKJARIPT-KRWDZBQOSA-N 1 0 312.461 3.354 10 30 DGEERO C=CCOCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000611543930 400418615 /nfs/dbraw/zinc/41/86/15/400418615.db2.gz PFNKHCAYFPOUGN-UHFFFAOYSA-N 1 0 322.408 3.429 10 30 DGEERO C=CCN(Cc1ccccc1)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602759741 400565067 /nfs/dbraw/zinc/56/50/67/400565067.db2.gz NISNSAXXSFJTPZ-ZDUSSCGKSA-N 1 0 300.358 3.210 10 30 DGEERO C=CC[N@@H+](CCC[C@@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000592065135 400602031 /nfs/dbraw/zinc/60/20/31/400602031.db2.gz NQOXMPNNIIBPCP-OAHLLOKOSA-N 1 0 304.390 3.400 10 30 DGEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000076574487 400662109 /nfs/dbraw/zinc/66/21/09/400662109.db2.gz FOMHADWWZOFUKW-HOTGVXAUSA-N 1 0 315.461 3.469 10 30 DGEERO C[NH+](C)Cc1cccc([C@H]2CCc3cc(C(=O)NO)ccc3C2)c1 ZINC000166083626 400754152 /nfs/dbraw/zinc/75/41/52/400754152.db2.gz IVSIETOYCFQVOE-INIZCTEOSA-N 1 0 324.424 3.140 10 30 DGEERO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000593593372 400878021 /nfs/dbraw/zinc/87/80/21/400878021.db2.gz ACGNTQROFIQCGK-YJBOKZPZSA-N 1 0 310.445 3.256 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)NCCSc1ccc(C)cc1 ZINC000605738781 400885024 /nfs/dbraw/zinc/88/50/24/400885024.db2.gz VJEARZKTYAWMRW-UHFFFAOYSA-N 1 0 306.475 3.101 10 30 DGEERO C=C1CC(C)(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000633407309 400938560 /nfs/dbraw/zinc/93/85/60/400938560.db2.gz PMFFXQHSMPQRHY-UHFFFAOYSA-N 1 0 306.381 3.061 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000633410871 400939934 /nfs/dbraw/zinc/93/99/34/400939934.db2.gz FMFUZXTWGNMEGH-CVEARBPZSA-N 1 0 307.482 3.247 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000633411775 400940399 /nfs/dbraw/zinc/94/03/99/400940399.db2.gz XNAMFFSROJDBHC-MRXNPFEDSA-N 1 0 309.498 3.352 10 30 DGEERO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1OCc1ccccc1 ZINC000593919529 400920384 /nfs/dbraw/zinc/92/03/84/400920384.db2.gz TZTYQCGXLHLSIF-MRXNPFEDSA-N 1 0 323.396 3.225 10 30 DGEERO C#CCC[C@H]([NH3+])c1ccc(I)c(Cl)c1 ZINC000232359999 400971746 /nfs/dbraw/zinc/97/17/46/400971746.db2.gz BDQQFNITLHBTEK-NSHDSACASA-N 1 0 319.573 3.358 10 30 DGEERO C=CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000614964873 400975139 /nfs/dbraw/zinc/97/51/39/400975139.db2.gz DIKKOORVIXFCCN-GOSISDBHSA-N 1 0 312.457 3.291 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000620309325 401052644 /nfs/dbraw/zinc/05/26/44/401052644.db2.gz NZLIJSIMGNANGA-RYQLBKOJSA-N 1 0 302.462 3.351 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000620312984 401053339 /nfs/dbraw/zinc/05/33/39/401053339.db2.gz SAIYANLLSVAQJM-CEXWTWQISA-N 1 0 310.441 3.361 10 30 DGEERO C=C(C)COc1cc(C[NH2+]CC[C@H]2CCCO2)ccc1OC ZINC000057961581 401037990 /nfs/dbraw/zinc/03/79/90/401037990.db2.gz RAWWULPPWJNHIG-MRXNPFEDSA-N 1 0 305.418 3.309 10 30 DGEERO C=CCCOCCCCC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634123340 401212371 /nfs/dbraw/zinc/21/23/71/401212371.db2.gz IDMSRLWNDMYGCB-UHFFFAOYSA-N 1 0 310.482 3.082 10 30 DGEERO C=CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000625701766 401185485 /nfs/dbraw/zinc/18/54/85/401185485.db2.gz AODHOHPAOOERPH-HNNXBMFYSA-N 1 0 302.418 3.312 10 30 DGEERO C=C(C)Cn1c(C(C)C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634373392 401276849 /nfs/dbraw/zinc/27/68/49/401276849.db2.gz ZRMPOXDUHCUWJH-UHFFFAOYSA-N 1 0 319.497 3.288 10 30 DGEERO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC2COC2)cc1 ZINC000630387238 401255571 /nfs/dbraw/zinc/25/55/71/401255571.db2.gz KOTITCCZFMEKNJ-UHFFFAOYSA-N 1 0 309.413 3.199 10 30 DGEERO C=CCC1([NH2+]Cc2cc(-c3cnn(C)c3)no2)CCCCC1 ZINC000625934871 401259374 /nfs/dbraw/zinc/25/93/74/401259374.db2.gz DKYOLZUEFRPHQM-UHFFFAOYSA-N 1 0 300.406 3.444 10 30 DGEERO C=CCC1([NH2+]C[C@@H](O)COCc2ccccc2)CCCCC1 ZINC000625936453 401260137 /nfs/dbraw/zinc/26/01/37/401260137.db2.gz MQGNEJOCNKFRFN-GOSISDBHSA-N 1 0 303.446 3.433 10 30 DGEERO C=C1CC(C)(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000630904247 401351034 /nfs/dbraw/zinc/35/10/34/401351034.db2.gz JNYKXQKALCCMDT-UHFFFAOYSA-N 1 0 300.446 3.453 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000626527125 401370313 /nfs/dbraw/zinc/37/03/13/401370313.db2.gz MZJXHIPRHSCUGC-OAHLLOKOSA-N 1 0 301.434 3.221 10 30 DGEERO C=CCCC(C)(C)C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000631222888 401429695 /nfs/dbraw/zinc/42/96/95/401429695.db2.gz YTSDAGDMHWRVEX-UHFFFAOYSA-N 1 0 309.479 3.062 10 30 DGEERO C=C1CC(C)(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000631563440 401497837 /nfs/dbraw/zinc/49/78/37/401497837.db2.gz VIKLHEXBSDHYMZ-KRWDZBQOSA-N 1 0 312.457 3.466 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000623466477 401524569 /nfs/dbraw/zinc/52/45/69/401524569.db2.gz AUHIXSTXCNVEMS-IRXDYDNUSA-N 1 0 307.482 3.106 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000623342923 401494837 /nfs/dbraw/zinc/49/48/37/401494837.db2.gz VJIWTKYDZRCALX-JKSUJKDBSA-N 1 0 317.433 3.024 10 30 DGEERO C=CC(C)(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000628312291 401573801 /nfs/dbraw/zinc/57/38/01/401573801.db2.gz WOEVXTPNWLWIMX-SJORKVTESA-N 1 0 300.446 3.050 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406124 401592218 /nfs/dbraw/zinc/59/22/18/401592218.db2.gz CKQITKJUFBGYGE-HUUCEWRRSA-N 1 0 307.459 3.092 10 30 DGEERO C=CCC[C@@H](C)[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631705464 401541455 /nfs/dbraw/zinc/54/14/55/401541455.db2.gz MOUJLYMFHYLQFV-QGZVFWFLSA-N 1 0 302.462 3.352 10 30 DGEERO C=CCC1([NH2+]Cc2ccc(OC)c(OC3CC3)c2)CCOCC1 ZINC000623564596 401547724 /nfs/dbraw/zinc/54/77/24/401547724.db2.gz KZJKCEXVTXSCEG-UHFFFAOYSA-N 1 0 317.429 3.451 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000632803594 401627326 /nfs/dbraw/zinc/62/73/26/401627326.db2.gz NTILURHFUOSHQY-UHFFFAOYSA-N 1 0 313.445 3.282 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H](C)CC(=O)NCCc1ccccc1 ZINC000624038180 401616808 /nfs/dbraw/zinc/61/68/08/401616808.db2.gz UUSKWMRBCGCEEM-INIZCTEOSA-N 1 0 302.462 3.316 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000624037127 401616965 /nfs/dbraw/zinc/61/69/65/401616965.db2.gz MYSCFXAYGHRXLK-AWEZNQCLSA-N 1 0 324.490 3.204 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000624038217 401616989 /nfs/dbraw/zinc/61/69/89/401616989.db2.gz WSYHNTOUKWZQAM-ZDUSSCGKSA-N 1 0 310.463 3.311 10 30 DGEERO CCc1nnc(C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)[nH]1 ZINC000190669406 165211594 /nfs/dbraw/zinc/21/15/94/165211594.db2.gz DGRZFMIHOSKLOP-CYBMUJFWSA-N 1 0 309.417 3.179 10 30 DGEERO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245982304 165495930 /nfs/dbraw/zinc/49/59/30/165495930.db2.gz HBCAKLSGGWLPNR-CDHQVMDDSA-N 1 0 306.409 3.470 10 30 DGEERO C[C@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)c1ccc(C#N)s1 ZINC000181919754 432150701 /nfs/dbraw/zinc/15/07/01/432150701.db2.gz NZAJDAMANJGUDV-SMDDNHRTSA-N 1 0 311.410 3.396 10 30 DGEERO CC[NH+](CC)CC1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000358888773 266113774 /nfs/dbraw/zinc/11/37/74/266113774.db2.gz YTEJHVSEAMQPOF-UHFFFAOYSA-N 1 0 306.841 3.165 10 30 DGEERO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(C#N)cc1F ZINC000358445894 267183317 /nfs/dbraw/zinc/18/33/17/267183317.db2.gz OGIJRVGMRCNMKV-ZDUSSCGKSA-N 1 0 308.360 3.398 10 30 DGEERO N#Cc1ccncc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000354558553 268300708 /nfs/dbraw/zinc/30/07/08/268300708.db2.gz HSDCELOZRUGOCD-SFHVURJKSA-N 1 0 306.413 3.420 10 30 DGEERO COc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1NC(C)=O ZINC000151388499 432243420 /nfs/dbraw/zinc/24/34/20/432243420.db2.gz HUHPFPKVTDWRBL-ZDUSSCGKSA-N 1 0 323.396 3.376 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000424300218 275437368 /nfs/dbraw/zinc/43/73/68/275437368.db2.gz XDDDVCISLVXFNU-VUCTXSBTSA-N 1 0 316.401 3.498 10 30 DGEERO CC[N@H+](CC#Cc1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000191990180 276079023 /nfs/dbraw/zinc/07/90/23/276079023.db2.gz SAJRHKVTVJEQGO-UHFFFAOYSA-N 1 0 320.436 3.262 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)N(C)CCC#N ZINC000112532011 431281409 /nfs/dbraw/zinc/28/14/09/431281409.db2.gz XNFMGBNQTLBIOK-LSDHHAIUSA-N 1 0 315.461 3.395 10 30 DGEERO C[C@@H]([NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)C(=O)N(C)CCC#N ZINC000112532012 431283109 /nfs/dbraw/zinc/28/31/09/431283109.db2.gz XNFMGBNQTLBIOK-HUUCEWRRSA-N 1 0 315.461 3.395 10 30 DGEERO C=CCC[C@@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccnc(C)n1 ZINC000072434688 431334161 /nfs/dbraw/zinc/33/41/61/431334161.db2.gz XIXRRUUFYFRKAC-KSZLIROESA-N 1 0 313.445 3.397 10 30 DGEERO C#CCCOc1ccc(C[NH2+][C@@H](CN(C)C)c2ccccc2)cc1 ZINC000113315824 431341040 /nfs/dbraw/zinc/34/10/40/431341040.db2.gz UXHOXWXITLUQPE-NRFANRHFSA-N 1 0 322.452 3.481 10 30 DGEERO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116288784 431498462 /nfs/dbraw/zinc/49/84/62/431498462.db2.gz XYKUSMQIHWGPRO-INIZCTEOSA-N 1 0 309.369 3.317 10 30 DGEERO CC1(C)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000077382898 431592028 /nfs/dbraw/zinc/59/20/28/431592028.db2.gz QFZHFZHSVMUBEP-UHFFFAOYSA-N 1 0 305.809 3.415 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000078544992 431681026 /nfs/dbraw/zinc/68/10/26/431681026.db2.gz LVVFRANQQYHUMJ-HNNXBMFYSA-N 1 0 301.434 3.006 10 30 DGEERO N#Cc1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)ccc1F ZINC000119533112 431704384 /nfs/dbraw/zinc/70/43/84/431704384.db2.gz LPVHSMUFVTVKGQ-HNNXBMFYSA-N 1 0 310.376 3.026 10 30 DGEERO C=CCOc1ccccc1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000122104402 431812699 /nfs/dbraw/zinc/81/26/99/431812699.db2.gz KQQQQBGVYRNTIC-UHFFFAOYSA-N 1 0 324.424 3.129 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000122929070 431849019 /nfs/dbraw/zinc/84/90/19/431849019.db2.gz MPZWGKUFYYTMEH-ZDUSSCGKSA-N 1 0 300.431 3.216 10 30 DGEERO C=CCc1cc(CN(C)C[C@@H]2CCC[N@H+]2CC)cc(OC)c1O ZINC000123394057 431864418 /nfs/dbraw/zinc/86/44/18/431864418.db2.gz JNYDQDARIZVTEM-KRWDZBQOSA-N 1 0 318.461 3.045 10 30 DGEERO CC[NH+]=C(NCCc1csc(C)n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261790922 280839489 /nfs/dbraw/zinc/83/94/89/280839489.db2.gz QVSSNBAOPJTFCG-GJZGRUSLSA-N 1 0 320.506 3.082 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093438117 431914784 /nfs/dbraw/zinc/91/47/84/431914784.db2.gz KSXOVUMSJICXDJ-KBXCAEBGSA-N 1 0 310.401 3.428 10 30 DGEERO C=CCOc1ccccc1CN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000093639073 431915871 /nfs/dbraw/zinc/91/58/71/431915871.db2.gz NSMAKJGEQAXRIC-SJLPKXTDSA-N 1 0 302.462 3.414 10 30 DGEERO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(C#N)cs2)c1 ZINC000093492163 431916489 /nfs/dbraw/zinc/91/64/89/431916489.db2.gz OFNBAEYILYGXCL-LLVKDONJSA-N 1 0 302.399 3.488 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000093693269 431916685 /nfs/dbraw/zinc/91/66/85/431916685.db2.gz LHBLRIAAAAFYNV-QGZVFWFLSA-N 1 0 302.462 3.415 10 30 DGEERO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000125452203 431925748 /nfs/dbraw/zinc/92/57/48/431925748.db2.gz QEQMIFLLHIKCDQ-SJORKVTESA-N 1 0 315.804 3.340 10 30 DGEERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C#N)cc1C ZINC000128203255 431989471 /nfs/dbraw/zinc/98/94/71/431989471.db2.gz ISEQGCJNFMRFHV-UHFFFAOYSA-N 1 0 307.397 3.489 10 30 DGEERO Cc1cccc(NC[C@H]2CC[N@H+](CC(C)(C)CCC#N)C2)n1 ZINC000092813452 281246933 /nfs/dbraw/zinc/24/69/33/281246933.db2.gz JDWKMTCTYKRSOR-MRXNPFEDSA-N 1 0 300.450 3.454 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248146580 432272488 /nfs/dbraw/zinc/27/24/88/432272488.db2.gz ZSXLACOJPHWSIL-MOPGFXCFSA-N 1 0 319.408 3.042 10 30 DGEERO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248059867 432265602 /nfs/dbraw/zinc/26/56/02/432265602.db2.gz OZMLKZDUBITLET-IRXDYDNUSA-N 1 0 301.434 3.039 10 30 DGEERO CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000248758752 432316279 /nfs/dbraw/zinc/31/62/79/432316279.db2.gz GJIQSTXVMPSATE-NMVRNDPTSA-N 1 0 319.399 3.382 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000191956057 432318761 /nfs/dbraw/zinc/31/87/61/432318761.db2.gz YOHBAFLZMCXXSO-INIZCTEOSA-N 1 0 318.461 3.188 10 30 DGEERO Cc1ccc(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)nc1 ZINC000174430659 432346531 /nfs/dbraw/zinc/34/65/31/432346531.db2.gz ZKRPXNRZTXMXRE-UHFFFAOYSA-N 1 0 306.413 3.020 10 30 DGEERO CC#CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248639279 432309545 /nfs/dbraw/zinc/30/95/45/432309545.db2.gz WQWMNUDDAVMGJQ-PKOBYXMFSA-N 1 0 312.457 3.349 10 30 DGEERO C(#Cc1ccccc1)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000191900135 432313198 /nfs/dbraw/zinc/31/31/98/432313198.db2.gz HGHBFEWWZZJHNG-UHFFFAOYSA-N 1 0 304.437 3.246 10 30 DGEERO C=C[C@H](CC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000153676192 432431330 /nfs/dbraw/zinc/43/13/30/432431330.db2.gz ABNMOKYNDOGEMF-IAGOWNOFSA-N 1 0 300.446 3.337 10 30 DGEERO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000192867481 432423718 /nfs/dbraw/zinc/42/37/18/432423718.db2.gz RHSHPHAUQQZKBS-SNVBAGLBSA-N 1 0 305.428 3.361 10 30 DGEERO C[C@H](CC[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000193650877 432488433 /nfs/dbraw/zinc/48/84/33/432488433.db2.gz XJUXBFZSXJSJPF-QGZVFWFLSA-N 1 0 320.440 3.269 10 30 DGEERO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)C1 ZINC000185794527 432533240 /nfs/dbraw/zinc/53/32/40/432533240.db2.gz KYWCFXDPBPDPCF-IRXDYDNUSA-N 1 0 311.429 3.375 10 30 DGEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177171598 432594195 /nfs/dbraw/zinc/59/41/95/432594195.db2.gz CSZAMPNLSKHZHA-WMLDXEAASA-N 1 0 322.374 3.225 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000273412460 432595885 /nfs/dbraw/zinc/59/58/85/432595885.db2.gz IAZYPYKOUJKWIP-IINYFYTJSA-N 1 0 314.198 3.102 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000186695949 432622821 /nfs/dbraw/zinc/62/28/21/432622821.db2.gz WSAKFGNVNPOSBG-MWLCHTKSSA-N 1 0 302.187 3.176 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186709744 432623905 /nfs/dbraw/zinc/62/39/05/432623905.db2.gz AAYZWWUWMQEIJF-RISCZKNCSA-N 1 0 301.308 3.099 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000186709695 432624489 /nfs/dbraw/zinc/62/44/89/432624489.db2.gz AAYZWWUWMQEIJF-SMDDNHRTSA-N 1 0 301.308 3.099 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160022457 432704647 /nfs/dbraw/zinc/70/46/47/432704647.db2.gz AORWMRQMIXZXBM-SJLPKXTDSA-N 1 0 315.461 3.257 10 30 DGEERO C=C[C@@H](CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000160247123 432711467 /nfs/dbraw/zinc/71/14/67/432711467.db2.gz DWROFNNPOSSKRN-WMZOPIPTSA-N 1 0 302.462 3.439 10 30 DGEERO C=CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000188225093 432713158 /nfs/dbraw/zinc/71/31/58/432713158.db2.gz UYPRYXQTSFBOIN-NXHRZFHOSA-N 1 0 300.446 3.287 10 30 DGEERO C=C(C)[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187757259 432683327 /nfs/dbraw/zinc/68/33/27/432683327.db2.gz QYZOCEAMLGNXAX-BBRMVZONSA-N 1 0 313.388 3.348 10 30 DGEERO CN(Cc1cnc2ccc(C#N)cn12)Cc1cccc(Cl)c1 ZINC000161129556 432761639 /nfs/dbraw/zinc/76/16/39/432761639.db2.gz FIIJRXBRAGIOIH-UHFFFAOYSA-N 1 0 310.788 3.491 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178659143 432763852 /nfs/dbraw/zinc/76/38/52/432763852.db2.gz ZPKZGRDDUDFNSG-CYBMUJFWSA-N 1 0 311.341 3.196 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000188457663 432727553 /nfs/dbraw/zinc/72/75/53/432727553.db2.gz CCNLCNPVPITVSG-MWLCHTKSSA-N 1 0 302.187 3.176 10 30 DGEERO O[C@]12CCCC[C@@H]1C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000160583056 432729789 /nfs/dbraw/zinc/72/97/89/432729789.db2.gz XGIGOGZCNRTDIX-AEFFLSMTSA-N 1 0 303.833 3.319 10 30 DGEERO O[C@@]12CCCC[C@@H]1C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000160582934 432729830 /nfs/dbraw/zinc/72/98/30/432729830.db2.gz XGIGOGZCNRTDIX-SJLPKXTDSA-N 1 0 303.833 3.319 10 30 DGEERO C[C@]1(CNc2ccc(C#N)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160799168 432742902 /nfs/dbraw/zinc/74/29/02/432742902.db2.gz IXUYFNBMFHYYJD-LJQANCHMSA-N 1 0 306.413 3.420 10 30 DGEERO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246052936 432875212 /nfs/dbraw/zinc/87/52/12/432875212.db2.gz QGUDTUSZCBQXOJ-CDHQVMDDSA-N 1 0 306.409 3.470 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1Cl ZINC000330268066 432900769 /nfs/dbraw/zinc/90/07/69/432900769.db2.gz QXXGEPKTIJRSBL-LKTVYLICSA-N 1 0 308.809 3.474 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2ccc3cnccc3c2)CC1 ZINC000297086746 432956239 /nfs/dbraw/zinc/95/62/39/432956239.db2.gz YXMAMYKQEHLIHF-UHFFFAOYSA-N 1 0 310.401 3.007 10 30 DGEERO C[C@H](NC(=O)[C@]1(C)CCCNC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000330310797 289234926 /nfs/dbraw/zinc/23/49/26/289234926.db2.gz NNMHZTPOLRCRMO-SUNYJGFJSA-N 1 0 321.465 3.353 10 30 DGEERO C[C@@H](NCC[N@@H+]1CCCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000447576810 433234226 /nfs/dbraw/zinc/23/42/26/433234226.db2.gz CKLUTSGMIQYXBU-CQSZACIVSA-N 1 0 303.425 3.470 10 30 DGEERO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1 ZINC000447584893 433236234 /nfs/dbraw/zinc/23/62/34/433236234.db2.gz HIDNGAKWVQLNDZ-RTBURBONSA-N 1 0 319.408 3.404 10 30 DGEERO C=CCCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000448032556 433355732 /nfs/dbraw/zinc/35/57/32/433355732.db2.gz VXUPVUBTLBJLKN-QGZVFWFLSA-N 1 0 301.434 3.089 10 30 DGEERO C=CCOCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000361744737 433369288 /nfs/dbraw/zinc/36/92/88/433369288.db2.gz OGORZBDMXHDHJY-UHFFFAOYSA-N 1 0 308.853 3.097 10 30 DGEERO C=CCCC[NH2+]Cc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000448369603 433396432 /nfs/dbraw/zinc/39/64/32/433396432.db2.gz AJFUNLCQOIQNBB-UHFFFAOYSA-N 1 0 313.401 3.105 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000448370493 433399853 /nfs/dbraw/zinc/39/98/53/433399853.db2.gz IPLCKAZTSYDGJS-MRXNPFEDSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000448368594 433400281 /nfs/dbraw/zinc/40/02/81/433400281.db2.gz WSUSYGHBZLLREA-TXPKVOOTSA-N 1 0 317.429 3.020 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000448377197 433403127 /nfs/dbraw/zinc/40/31/27/433403127.db2.gz RGWQWYGVLKCYBN-BXWFABGCSA-N 1 0 317.429 3.020 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NCC2(C3CCC3)CCC2)CC1 ZINC000454471871 433441507 /nfs/dbraw/zinc/44/15/07/433441507.db2.gz ZWTOOFORVLSLFS-UHFFFAOYSA-N 1 0 319.493 3.297 10 30 DGEERO Cn1c(C#N)ccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000448702791 433503861 /nfs/dbraw/zinc/50/38/61/433503861.db2.gz VHMVXGZLLYEIMB-UHFFFAOYSA-N 1 0 322.412 3.135 10 30 DGEERO C=C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000362368293 433663739 /nfs/dbraw/zinc/66/37/39/433663739.db2.gz ACRAJCUMKWLSCZ-GZBFAFLISA-N 1 0 307.463 3.005 10 30 DGEERO C[N@@H+]1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000301872344 433771328 /nfs/dbraw/zinc/77/13/28/433771328.db2.gz KUZWIONXCBAHHN-HZPDHXFCSA-N 1 0 312.804 3.464 10 30 DGEERO C#CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000376956282 433841916 /nfs/dbraw/zinc/84/19/16/433841916.db2.gz RHOISSSKXYIBKQ-KRWDZBQOSA-N 1 0 312.457 3.159 10 30 DGEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000305059913 434029248 /nfs/dbraw/zinc/02/92/48/434029248.db2.gz GGAHPCBESOPSCJ-PBHICJAKSA-N 1 0 305.418 3.168 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1Cl ZINC000377787644 433996222 /nfs/dbraw/zinc/99/62/22/433996222.db2.gz WBOVSXDNEMSDJZ-CYBMUJFWSA-N 1 0 317.820 3.275 10 30 DGEERO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1nc(C#N)cs1 ZINC000352831460 434056348 /nfs/dbraw/zinc/05/63/48/434056348.db2.gz CWIGTHGVWMFRCE-UHFFFAOYSA-N 1 0 314.458 3.015 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000286001759 434130767 /nfs/dbraw/zinc/13/07/67/434130767.db2.gz OWVDXDUXGSZBRA-NXEZZACHSA-N 1 0 304.253 3.407 10 30 DGEERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328795496 434314876 /nfs/dbraw/zinc/31/48/76/434314876.db2.gz UCXBSZHJKULSLP-HUUCEWRRSA-N 1 0 309.454 3.210 10 30 DGEERO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830122 434316396 /nfs/dbraw/zinc/31/63/96/434316396.db2.gz KKNMMNLQXBIRAE-DJIMGWMZSA-N 1 0 321.428 3.343 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)NCC1CCCCC1 ZINC000328909023 434328831 /nfs/dbraw/zinc/32/88/31/434328831.db2.gz MMRYTPOVLYJIIA-MJEQTWJJSA-N 1 0 321.465 3.399 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295440816 434363983 /nfs/dbraw/zinc/36/39/83/434363983.db2.gz PLFWTNXSDNBFFP-ZANVPECISA-N 1 0 314.198 3.102 10 30 DGEERO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358560224 434394506 /nfs/dbraw/zinc/39/45/06/434394506.db2.gz QJUGEUHUVDFRFU-ZFWWWQNUSA-N 1 0 323.371 3.153 10 30 DGEERO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358560631 434394727 /nfs/dbraw/zinc/39/47/27/434394727.db2.gz FKNYPKLQLMNYAD-TXUQDUFDSA-N 1 0 322.449 3.428 10 30 DGEERO CC(C)n1ncc2c1C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000329603131 434441099 /nfs/dbraw/zinc/44/10/99/434441099.db2.gz YIZMUDMQQHNLMC-DZKIICNBSA-N 1 0 318.465 3.008 10 30 DGEERO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000366973772 434532237 /nfs/dbraw/zinc/53/22/37/434532237.db2.gz BXVCNOPPGIJHMY-SFHVURJKSA-N 1 0 324.428 3.270 10 30 DGEERO C=CCC[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417906594 434547222 /nfs/dbraw/zinc/54/72/22/434547222.db2.gz CDUJSGGULSGKRN-ZWKOTPCHSA-N 1 0 313.445 3.230 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000368084843 434565666 /nfs/dbraw/zinc/56/56/66/434565666.db2.gz HXFLIONPNVDLOJ-APWZRJJASA-N 1 0 319.493 3.249 10 30 DGEERO C#Cc1ccc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)cc1 ZINC000370730477 434618451 /nfs/dbraw/zinc/61/84/51/434618451.db2.gz OJWSHXQDSDFRMT-SFHVURJKSA-N 1 0 310.397 3.064 10 30 DGEERO C=CCN1CC[C@H]([N@@H+](C)[C@H](c2ccccc2C)C(C)C)C1=O ZINC000410394065 434645351 /nfs/dbraw/zinc/64/53/51/434645351.db2.gz TZPPBDMUKKUOPA-ROUUACIJSA-N 1 0 300.446 3.411 10 30 DGEERO C=C(C)COc1cc(C[NH+]2CC3(C2)CCOCC3)ccc1OC ZINC000459619324 434633674 /nfs/dbraw/zinc/63/36/74/434633674.db2.gz LUSPQQHDUFGVRF-UHFFFAOYSA-N 1 0 317.429 3.263 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000424173333 434644828 /nfs/dbraw/zinc/64/48/28/434644828.db2.gz MXSYOANXWMMANL-QWRGUYRKSA-N 1 0 302.237 3.191 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000573229021 434884390 /nfs/dbraw/zinc/88/43/90/434884390.db2.gz OHAIVVOGIDOAFS-GUDVDZBRSA-N 1 0 300.446 3.214 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccsc1Br ZINC000527719645 435014043 /nfs/dbraw/zinc/01/40/43/435014043.db2.gz IOLDBRDHWJZENL-ONGXEEELSA-N 1 0 302.237 3.191 10 30 DGEERO C=CCc1cc(C[NH2+]CC[C@H]2CCCOC2)cc(OC)c1O ZINC000527736749 435014347 /nfs/dbraw/zinc/01/43/47/435014347.db2.gz GGFKGKBUXGTMDO-CQSZACIVSA-N 1 0 305.418 3.036 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1 ZINC000527806056 435015786 /nfs/dbraw/zinc/01/57/86/435015786.db2.gz KSMOATPUHKJRMB-IBGZPJMESA-N 1 0 322.408 3.168 10 30 DGEERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000528761540 435028721 /nfs/dbraw/zinc/02/87/21/435028721.db2.gz ZBVPJKVSVQVLIC-RSQPEXBXSA-N 1 0 323.234 3.222 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000473817729 435143249 /nfs/dbraw/zinc/14/32/49/435143249.db2.gz AVAGMTAIJOHBMK-OAGGEKHMSA-N 1 0 307.482 3.103 10 30 DGEERO CC#CC[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533531949 435242951 /nfs/dbraw/zinc/24/29/51/435242951.db2.gz NUNGMLLFSUDXSP-UHFFFAOYSA-N 1 0 314.477 3.222 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000565551268 435279898 /nfs/dbraw/zinc/27/98/98/435279898.db2.gz YGRQHDHAULJRFG-QGZVFWFLSA-N 1 0 307.482 3.106 10 30 DGEERO C=CCCCC[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000567122107 435291378 /nfs/dbraw/zinc/29/13/78/435291378.db2.gz KMPIJSCIOURENV-KRWDZBQOSA-N 1 0 304.478 3.457 10 30 DGEERO C=CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccccc1F ZINC000479193791 435322087 /nfs/dbraw/zinc/32/20/87/435322087.db2.gz MECCTSYWGUWWNN-GFCCVEGCSA-N 1 0 320.437 3.312 10 30 DGEERO C=CC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000536742411 435408569 /nfs/dbraw/zinc/40/85/69/435408569.db2.gz KHKAZPZBLCARKJ-LBPRGKRZSA-N 1 0 316.228 3.384 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000537517785 435445983 /nfs/dbraw/zinc/44/59/83/435445983.db2.gz UBOFPJAULHOXRJ-OAHLLOKOSA-N 1 0 310.800 3.482 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000538735928 435518670 /nfs/dbraw/zinc/51/86/70/435518670.db2.gz NKZDLRLZDZUCFP-UHFFFAOYSA-N 1 0 305.418 3.253 10 30 DGEERO C=C(C)COCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000539060537 435535978 /nfs/dbraw/zinc/53/59/78/435535978.db2.gz UBGVBGKIFMHMBK-IEBWSBKVSA-N 1 0 302.462 3.079 10 30 DGEERO CC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nccs1 ZINC000185084539 323380583 /nfs/dbraw/zinc/38/05/83/323380583.db2.gz UODYQKBDPSFULZ-LLVKDONJSA-N 1 0 320.443 3.146 10 30 DGEERO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000560406625 332337805 /nfs/dbraw/zinc/33/78/05/332337805.db2.gz GXGLQUUOXNMNKH-AWEZNQCLSA-N 1 0 324.428 3.302 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000185030006 335108236 /nfs/dbraw/zinc/10/82/36/335108236.db2.gz LDHYRAORZANUBA-WMLDXEAASA-N 1 0 304.434 3.016 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151381197 332574763 /nfs/dbraw/zinc/57/47/63/332574763.db2.gz BTLCEZIQMFLDJJ-FUHWJXTLSA-N 1 0 319.470 3.396 10 30 DGEERO C=CCc1cc(C[NH2+][C@H]2CCc3cc(N)ccc32)cc(OC)c1O ZINC000569825429 332683984 /nfs/dbraw/zinc/68/39/84/332683984.db2.gz QGXOSPHWNXLAGE-SFHVURJKSA-N 1 0 324.424 3.489 10 30 DGEERO C=CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000179735273 337171357 /nfs/dbraw/zinc/17/13/57/337171357.db2.gz SKIMLDGYAYWJBV-WBVHZDCISA-N 1 0 308.372 3.183 10 30 DGEERO CCCCCCCCCNC(=O)[C@H]([NH3+])Cc1ccc(OC)cc1 ZINC000584595902 337374016 /nfs/dbraw/zinc/37/40/16/337374016.db2.gz JSYWHBXTAMKDPF-GOSISDBHSA-N 1 0 320.477 3.432 10 30 DGEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@@H](CSc2ccccc2)C1 ZINC000262454118 337618320 /nfs/dbraw/zinc/61/83/20/337618320.db2.gz KMJIRBXEQJLUGP-SQWLQELKSA-N 1 0 303.475 3.084 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000499255736 340033508 /nfs/dbraw/zinc/03/35/08/340033508.db2.gz ZEFOQCXLAXHWBI-SJORKVTESA-N 1 0 303.446 3.480 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000505038681 340159662 /nfs/dbraw/zinc/15/96/62/340159662.db2.gz LAYJDZRFQAMSCS-GJZGRUSLSA-N 1 0 301.434 3.362 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000087116306 340454605 /nfs/dbraw/zinc/45/46/05/340454605.db2.gz GESGEZKWOJFSGP-CQSZACIVSA-N 1 0 319.424 3.145 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000185307542 340499867 /nfs/dbraw/zinc/49/98/67/340499867.db2.gz UCLVALNPBGKIKT-AWEZNQCLSA-N 1 0 324.415 3.457 10 30 DGEERO C=CCCC[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528718332 340730298 /nfs/dbraw/zinc/73/02/98/340730298.db2.gz MEIAFDPZEAIDDF-UHFFFAOYSA-N 1 0 319.449 3.184 10 30 DGEERO C=CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000249130051 341394428 /nfs/dbraw/zinc/39/44/28/341394428.db2.gz DHVSMGLSQDURRP-QZTJIDSGSA-N 1 0 300.446 3.289 10 30 DGEERO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095533 518718453 /nfs/dbraw/zinc/71/84/53/518718453.db2.gz FUVAGZZUMKRDJG-MSOLQXFVSA-N 1 0 307.409 3.134 10 30 DGEERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000157964515 523522423 /nfs/dbraw/zinc/52/24/23/523522423.db2.gz MBDWBCDQVNGTNE-AWEZNQCLSA-N 1 0 313.426 3.403 10 30 DGEERO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000318446084 534784872 /nfs/dbraw/zinc/78/48/72/534784872.db2.gz OWZQPKJOGIRRQU-CGTJXYLNSA-N 1 0 302.393 3.213 10 30 DGEERO C=CCN(CCc1ccco1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000355822569 526317692 /nfs/dbraw/zinc/31/76/92/526317692.db2.gz UYEFRSGNAKYADJ-INIZCTEOSA-N 1 0 304.434 3.101 10 30 DGEERO C[NH+]=C(NCc1nc(C)cs1)N[C@H](C)c1ccc(C)c(F)c1 ZINC000157255637 526390378 /nfs/dbraw/zinc/39/03/78/526390378.db2.gz YVELEUPHYMTZLD-GFCCVEGCSA-N 1 0 320.437 3.325 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCc2ccc(C(F)F)cc2)CC1 ZINC000184181337 526435186 /nfs/dbraw/zinc/43/51/86/526435186.db2.gz UPWSWHCITJXDJH-UHFFFAOYSA-N 1 0 323.387 3.074 10 30 DGEERO C=C(C)CC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000352024525 526440617 /nfs/dbraw/zinc/44/06/17/526440617.db2.gz HLCOWDXMMLNJBV-UHFFFAOYSA-N 1 0 316.214 3.349 10 30 DGEERO C=C(C)CC[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000351870667 526442572 /nfs/dbraw/zinc/44/25/72/526442572.db2.gz NZEQIYXVEYNLCL-UHFFFAOYSA-N 1 0 302.418 3.312 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000431633281 526598163 /nfs/dbraw/zinc/59/81/63/526598163.db2.gz BQUHMXCANNNLCA-KFKAGJAMSA-N 1 0 312.457 3.193 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000352542980 526621647 /nfs/dbraw/zinc/62/16/47/526621647.db2.gz ASJWEJPMSNLXCE-DYVFJYSZSA-N 1 0 322.399 3.239 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000184922636 526703121 /nfs/dbraw/zinc/70/31/21/526703121.db2.gz DBEJWXVMLDRBDL-OAHLLOKOSA-N 1 0 316.445 3.184 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000341483283 526705077 /nfs/dbraw/zinc/70/50/77/526705077.db2.gz KBDYQNXKSCBCAO-FUHWJXTLSA-N 1 0 300.446 3.322 10 30 DGEERO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000346620732 526763888 /nfs/dbraw/zinc/76/38/88/526763888.db2.gz VGFWNRRGQSRAEP-ROUUACIJSA-N 1 0 316.445 3.448 10 30 DGEERO C=CCOCC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000339175112 526783541 /nfs/dbraw/zinc/78/35/41/526783541.db2.gz NYEDVBZTBWXQNP-ZWKOTPCHSA-N 1 0 324.415 3.281 10 30 DGEERO C=C(C)[C@H]([NH2+][C@@H](CC)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000340502635 526821983 /nfs/dbraw/zinc/82/19/83/526821983.db2.gz MCHIKOWNXFGVAB-BBRMVZONSA-N 1 0 306.360 3.242 10 30 DGEERO C=CCOc1ccc(CN2CC[NH+]3CCC2CC3)cc1Cl ZINC000349330863 526869444 /nfs/dbraw/zinc/86/94/44/526869444.db2.gz KMCVWHCYONIZLK-UHFFFAOYSA-N 1 0 306.837 3.185 10 30 DGEERO C=CCOc1ccc(CNc2c[nH+]ccc2-n2cccn2)cc1 ZINC000348131336 526891632 /nfs/dbraw/zinc/89/16/32/526891632.db2.gz PGPKZTPUBZSTRM-UHFFFAOYSA-N 1 0 306.369 3.444 10 30 DGEERO C=CCOc1cccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000431751091 526911397 /nfs/dbraw/zinc/91/13/97/526911397.db2.gz CEVIJKAGOROMHH-MRXNPFEDSA-N 1 0 302.418 3.454 10 30 DGEERO C=CCOc1ccccc1C[N@@H+](C)C1CCC(NC(C)=O)CC1 ZINC000346284114 526929784 /nfs/dbraw/zinc/92/97/84/526929784.db2.gz YWWPFYKSXDUEBC-UHFFFAOYSA-N 1 0 316.445 3.131 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000351574785 527102625 /nfs/dbraw/zinc/10/26/25/527102625.db2.gz PRQJVERAHSIDFQ-IBGZPJMESA-N 1 0 322.408 3.164 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000349753592 527102811 /nfs/dbraw/zinc/10/28/11/527102811.db2.gz CESWNFUCEFBECH-GWCFXTLKSA-N 1 0 316.214 3.046 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000184276451 527209056 /nfs/dbraw/zinc/20/90/56/527209056.db2.gz XZKBVQJFZQPYLG-MRXNPFEDSA-N 1 0 307.397 3.052 10 30 DGEERO CC(=O)c1ccc(C#N)c(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000302102023 527223945 /nfs/dbraw/zinc/22/39/45/527223945.db2.gz LQLPIPLIEVLGPK-UHFFFAOYSA-N 1 0 311.429 3.073 10 30 DGEERO C=CCCC[C@@H](C)[N@H+](C)CCn1cc(Br)cn1 ZINC000344227711 527249846 /nfs/dbraw/zinc/24/98/46/527249846.db2.gz PKGXRKLMIRRPDA-GFCCVEGCSA-N 1 0 300.244 3.322 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([NH3+])CC1 ZINC000415574702 527258429 /nfs/dbraw/zinc/25/84/29/527258429.db2.gz DSOLGZQNGSIQNE-UHFFFAOYSA-N 1 0 301.434 3.494 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415576280 527258686 /nfs/dbraw/zinc/25/86/86/527258686.db2.gz FYEXJCPBOAVGPP-WBVHZDCISA-N 1 0 313.445 3.364 10 30 DGEERO C=CCCOCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358964225 527368172 /nfs/dbraw/zinc/36/81/72/527368172.db2.gz KFRZXTUQMJBYMK-GOSISDBHSA-N 1 0 311.429 3.432 10 30 DGEERO C=C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000128335126 527406681 /nfs/dbraw/zinc/40/66/81/527406681.db2.gz HPROKYQAWXPFLW-OAHLLOKOSA-N 1 0 301.434 3.046 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000424171795 527498278 /nfs/dbraw/zinc/49/82/78/527498278.db2.gz LGDNFJVQWOTAAX-HKUYNNGSSA-N 1 0 324.424 3.438 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433322209 527587179 /nfs/dbraw/zinc/58/71/79/527587179.db2.gz XCQIVIMHRSZVNK-AWEZNQCLSA-N 1 0 314.351 3.256 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cscc1C#N)C(C)C ZINC000340302944 527646428 /nfs/dbraw/zinc/64/64/28/527646428.db2.gz RNHBXZQYSQKLKR-INIZCTEOSA-N 1 0 317.458 3.048 10 30 DGEERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000328644414 527919970 /nfs/dbraw/zinc/91/99/70/527919970.db2.gz ZHEPOCICTPGBDQ-YXJHDRRASA-N 1 0 302.418 3.128 10 30 DGEERO CCCCCCCC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000174882569 528127961 /nfs/dbraw/zinc/12/79/61/528127961.db2.gz FVBGOOLPVHSCBJ-LJQANCHMSA-N 1 0 309.542 3.449 10 30 DGEERO CC[NH+]=C(NCc1nc(C)c(C)s1)N[C@H](C)c1ccc(C)o1 ZINC000127812734 528819090 /nfs/dbraw/zinc/81/90/90/528819090.db2.gz GZLJCYFNPHWCDA-GFCCVEGCSA-N 1 0 320.462 3.478 10 30 DGEERO CCCCn1cc[n+]([C@@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000160083485 529087281 /nfs/dbraw/zinc/08/72/81/529087281.db2.gz QTPWQBACSPDFIL-QGZVFWFLSA-N 1 0 316.400 3.083 10 30 DGEERO C=CCN(Cc1ccc(OCC[NH+](C)C)cc1)CC(F)(F)F ZINC000092471821 545848475 /nfs/dbraw/zinc/84/84/75/545848475.db2.gz UCVUTESFRSNBML-UHFFFAOYSA-N 1 0 316.367 3.177 10 30 DGEERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000230658948 546274455 /nfs/dbraw/zinc/27/44/55/546274455.db2.gz YMSLOQHCXDSCKM-UHFFFAOYSA-N 1 0 321.421 3.324 10 30 DGEERO CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426745 547032253 /nfs/dbraw/zinc/03/22/53/547032253.db2.gz RWNUJTHFNLDRLE-WBVHZDCISA-N 1 0 301.434 3.225 10 30 DGEERO COC(=O)CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000735311808 574697039 /nfs/dbraw/zinc/69/70/39/574697039.db2.gz VYVAGENBJUGVTD-UHFFFAOYSA-N 1 0 324.808 3.016 10 30 DGEERO CCCCC[N@H+](CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735364032 574700109 /nfs/dbraw/zinc/70/01/09/574700109.db2.gz KNSQTGCFYHXYFD-UHFFFAOYSA-N 1 0 310.825 3.227 10 30 DGEERO C=C(C)CNC(=S)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000741500513 574960346 /nfs/dbraw/zinc/96/03/46/574960346.db2.gz ZCGFKRLGXUNTSS-DZGCQCFKSA-N 1 0 323.531 3.171 10 30 DGEERO CCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C[NH3+] ZINC000757137749 617646816 /nfs/dbraw/zinc/64/68/16/617646816.db2.gz MQIXORQYOXFUDH-UHFFFAOYSA-N 1 0 311.176 3.035 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1nccc2ccccc21 ZINC000121687203 622174173 /nfs/dbraw/zinc/17/41/73/622174173.db2.gz ZKXWMUHOMXEECL-OAHLLOKOSA-N 1 0 310.397 3.125 10 30 DGEERO N#CCCN(CC1CC1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000122730345 622396873 /nfs/dbraw/zinc/39/68/73/622396873.db2.gz JCDAEHOZACEZFB-MRXNPFEDSA-N 1 0 317.820 3.459 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000131134728 625949756 /nfs/dbraw/zinc/94/97/56/625949756.db2.gz MDWAPNWDRTXQFB-GOSISDBHSA-N 1 0 321.428 3.347 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc2ncccc2c1 ZINC000134029011 626851254 /nfs/dbraw/zinc/85/12/54/626851254.db2.gz NZIGXGKZQZOLQG-OAHLLOKOSA-N 1 0 310.397 3.125 10 30 DGEERO CC[C@@H](C)NC(NCc1csc(-c2ccccc2)n1)=[NH+]C ZINC000103887079 627396834 /nfs/dbraw/zinc/39/68/34/627396834.db2.gz KTBPJIXRFIRBIM-GFCCVEGCSA-N 1 0 302.447 3.274 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711366877 660948829 /nfs/dbraw/zinc/94/88/29/660948829.db2.gz JHNPLFYZVHVBQA-GFCCVEGCSA-N 1 0 312.866 3.162 10 30 DGEERO CCOc1ccc(O)c(/C=N\C[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000255117226 655601602 /nfs/dbraw/zinc/60/16/02/655601602.db2.gz ITICGHFVEGKRBL-VXIUPONVSA-N 1 0 304.434 3.330 10 30 DGEERO CCNC(NCc1ccccc1OCc1ccccc1)=[NH+]CC ZINC000303365355 655632020 /nfs/dbraw/zinc/63/20/20/655632020.db2.gz GMBGYJZQKCLKPR-UHFFFAOYSA-N 1 0 311.429 3.341 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000255633954 655883404 /nfs/dbraw/zinc/88/34/04/655883404.db2.gz KBORDPMMLDRLQG-LELXDKESSA-N 1 0 311.429 3.480 10 30 DGEERO C[NH+]=C(NCc1ncccc1C)N1CC[C@](C)(c2ccccc2)C1 ZINC000261781855 657090038 /nfs/dbraw/zinc/09/00/38/657090038.db2.gz PKNPSWSDQOGYRS-FQEVSTJZSA-N 1 0 322.456 3.129 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164240200 657292293 /nfs/dbraw/zinc/29/22/93/657292293.db2.gz DXDNRPSHHLYSOJ-IHRRRGAJSA-N 1 0 310.463 3.309 10 30 DGEERO [NH2+]=C(NCc1cccnc1OC1CCCC1)NC1CCCCC1 ZINC000303910494 657578890 /nfs/dbraw/zinc/57/88/90/657578890.db2.gz YYLTUHHWWUFUQJ-UHFFFAOYSA-N 1 0 316.449 3.140 10 30 DGEERO [NH2+]=C(NCc1cn2c(n1)CCCC2)Nc1cccc2c1CCCC2 ZINC000262500350 657620955 /nfs/dbraw/zinc/62/09/55/657620955.db2.gz YANYWUDTBCQXGF-UHFFFAOYSA-N 1 0 323.444 3.025 10 30 DGEERO CCc1nc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cs1 ZINC000262505078 657628723 /nfs/dbraw/zinc/62/87/23/657628723.db2.gz BERFLLZYKKCRDT-UHFFFAOYSA-N 1 0 300.431 3.121 10 30 DGEERO [NH2+]=C(NCC1CCC1)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000262503925 657628762 /nfs/dbraw/zinc/62/87/62/657628762.db2.gz ZFAXFPUOVRKKGA-UHFFFAOYSA-N 1 0 309.816 3.372 10 30 DGEERO COc1ccc(NC(=[NH2+])NCCCc2cccc(F)c2)cc1 ZINC000304754643 657647587 /nfs/dbraw/zinc/64/75/87/657647587.db2.gz LZSILUUVUVFEFI-UHFFFAOYSA-N 1 0 301.365 3.194 10 30 DGEERO CC1(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)COC1 ZINC000304757647 657648490 /nfs/dbraw/zinc/64/84/90/657648490.db2.gz PBADKAIBUGACHP-UHFFFAOYSA-N 1 0 311.385 3.242 10 30 DGEERO CCC(CC)c1cc(CNC(=[NH2+])NCCc2cccs2)on1 ZINC000304779287 657651757 /nfs/dbraw/zinc/65/17/57/657651757.db2.gz FHPKGIHFAIQVFM-UHFFFAOYSA-N 1 0 320.462 3.287 10 30 DGEERO COc1cccc(C(C)(C)CNC(=[NH2+])NC2CCCCC2)c1 ZINC000305200234 657723235 /nfs/dbraw/zinc/72/32/35/657723235.db2.gz VPQLICGSNPXMDT-UHFFFAOYSA-N 1 0 303.450 3.210 10 30 DGEERO [NH2+]=C(NCc1nc(-c2cc3ccccc3o2)cs1)NC1CC1 ZINC000262556214 657744610 /nfs/dbraw/zinc/74/46/10/657744610.db2.gz VAJNPRMDHNVJAB-UHFFFAOYSA-N 1 0 312.398 3.123 10 30 DGEERO CC(C)(C)c1nc(CCNC(=[NH2+])NC2CCCCC2)cs1 ZINC000305734763 657990125 /nfs/dbraw/zinc/99/01/25/657990125.db2.gz WQQCJOJUNHLPEU-UHFFFAOYSA-N 1 0 308.495 3.220 10 30 DGEERO [NH2+]=C(NCCc1c[nH]c2ccc(F)cc12)NC1CCCCCC1 ZINC000305741346 657994893 /nfs/dbraw/zinc/99/48/93/657994893.db2.gz FSHNNZNVTSYWKG-UHFFFAOYSA-N 1 0 316.424 3.477 10 30 DGEERO [NH2+]=C(NCCc1cc(F)c(F)c(F)c1)NC1CCCCCC1 ZINC000305877492 658077666 /nfs/dbraw/zinc/07/76/66/658077666.db2.gz SBCBBQPOZMHPFM-UHFFFAOYSA-N 1 0 313.367 3.274 10 30 DGEERO C=CCSc1nnc([C@@H]2CCC[N@@H+](C/C(C)=C\C)C2)n1C ZINC000229848978 659284888 /nfs/dbraw/zinc/28/48/88/659284888.db2.gz QZUPVGZLKYVCCA-CNTYAEFGSA-N 1 0 306.479 3.239 10 30 DGEERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000230944415 659359948 /nfs/dbraw/zinc/35/99/48/659359948.db2.gz IZMSMKWMHTYMOE-QLFBSQMISA-N 1 0 309.454 3.065 10 30 DGEERO CC[C@H](C)C[N@H+](CC)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000174944236 659913881 /nfs/dbraw/zinc/91/38/81/659913881.db2.gz FQBXICIIEXRHQI-AWEZNQCLSA-N 1 0 311.433 3.451 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000159917539 661897848 /nfs/dbraw/zinc/89/78/48/661897848.db2.gz KCHRZFRZKAKHNP-UONOGXRCSA-N 1 0 309.417 3.061 10 30 DGEERO COc1ccc(F)cc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000189200306 661968582 /nfs/dbraw/zinc/96/85/82/661968582.db2.gz CRSJRWHFYBLYSM-ZDUSSCGKSA-N 1 0 314.360 3.415 10 30 DGEERO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000189561427 661981682 /nfs/dbraw/zinc/98/16/82/661981682.db2.gz HCLXUYLCMKMVLU-HNNXBMFYSA-N 1 0 324.428 3.291 10 30 DGEERO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000189561446 661981910 /nfs/dbraw/zinc/98/19/10/661981910.db2.gz HCLXUYLCMKMVLU-OAHLLOKOSA-N 1 0 324.428 3.291 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000076734204 661995586 /nfs/dbraw/zinc/99/55/86/661995586.db2.gz KKQVABXPCCNWSB-UHFFFAOYSA-N 1 0 314.385 3.149 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1Br ZINC000719476844 662288904 /nfs/dbraw/zinc/28/89/04/662288904.db2.gz HSLFRWSMKVEUEJ-JTQLQIEISA-N 1 0 304.615 3.129 10 30 DGEERO C#CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)C1CCCC1 ZINC000091591351 662309298 /nfs/dbraw/zinc/30/92/98/662309298.db2.gz DXGTZTKXSDUJAY-UHFFFAOYSA-N 1 0 319.470 3.037 10 30 DGEERO C#CC[NH+]1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000387973740 685186832 /nfs/dbraw/zinc/18/68/32/685186832.db2.gz MJOQCXGPWKFZRF-UHFFFAOYSA-N 1 0 307.319 3.087 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000236661949 1176487753 /nfs/dbraw/zinc/48/77/53/1176487753.db2.gz RAWGHLWIPIXSER-UHFFFAOYSA-N 1 0 313.489 3.417 10 30 DGEERO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000404077471 1199533890 /nfs/dbraw/zinc/53/38/90/1199533890.db2.gz NTOVOGROKUCDOW-MRXNPFEDSA-N 1 0 323.415 3.404 10 30 DGEERO C=CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000119139696 1200027106 /nfs/dbraw/zinc/02/71/06/1200027106.db2.gz SVTDGKAVTSAFJU-UHFFFAOYSA-N 1 0 305.013 3.487 10 30 DGEERO CC[NH+](CC)C[C@@H](C)Nc1cc(Br)ccc1C#N ZINC000123226083 1200275904 /nfs/dbraw/zinc/27/59/04/1200275904.db2.gz QNWMRVGPZGESQV-LLVKDONJSA-N 1 0 310.239 3.463 10 30 DGEERO CC1CC[NH+](CCNc2cc(Br)ccc2C#N)CC1 ZINC000124432724 1200352280 /nfs/dbraw/zinc/35/22/80/1200352280.db2.gz WWMUBWALJARXHD-UHFFFAOYSA-N 1 0 322.250 3.465 10 30 DGEERO N#Cc1ccc(Br)cc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000124424040 1200353728 /nfs/dbraw/zinc/35/37/28/1200353728.db2.gz RQCMUWNJQYISPP-NSHDSACASA-N 1 0 320.234 3.217 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H](O)c2ccsc2)cc1OC ZINC000152517495 1202594488 /nfs/dbraw/zinc/59/44/88/1202594488.db2.gz ATDDZCVOLCUCRT-OAHLLOKOSA-N 1 0 319.426 3.145 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc(OC)c1O ZINC000153743398 1202596819 /nfs/dbraw/zinc/59/68/19/1202596819.db2.gz AEINDXITZYOVJB-BRWVUGGUSA-N 1 0 317.429 3.177 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](C)c2cn(C)nc2C)cc1OC ZINC000237174595 1202653011 /nfs/dbraw/zinc/65/30/11/1202653011.db2.gz MXPATGSKRWHXKS-ZDUSSCGKSA-N 1 0 315.417 3.153 10 30 DGEERO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N+](C)(C)C2CCCC2)cc1 ZINC000024951756 717113460 /nfs/dbraw/zinc/11/34/60/717113460.db2.gz CNCNBDLUDRFTQM-CQSZACIVSA-O 1 0 318.441 3.051 10 30 DGEERO N#Cc1ccc(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000107723645 185490383 /nfs/dbraw/zinc/49/03/83/185490383.db2.gz BVUJORMQIYKPID-QGZVFWFLSA-N 1 0 312.417 3.040 10 30 DGEERO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000181890749 199363982 /nfs/dbraw/zinc/36/39/82/199363982.db2.gz ZPMGEBGMJWNNNW-YJBOKZPZSA-N 1 0 321.424 3.496 10 30 DGEERO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177854263 186194032 /nfs/dbraw/zinc/19/40/32/186194032.db2.gz YQRIVVFENDNOLO-CVEARBPZSA-N 1 0 300.446 3.482 10 30 DGEERO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(F)cc1)[C@@H]2C(=O)OC ZINC000005605889 181263043 /nfs/dbraw/zinc/26/30/43/181263043.db2.gz BNBZBLRBYOEGLO-HZMVEIRTSA-N 1 0 303.377 3.121 10 30 DGEERO CC(C)[C@@H]([NH3+])CCN(C)c1cccc(Br)c1C#N ZINC000169105268 432070395 /nfs/dbraw/zinc/07/03/95/432070395.db2.gz IBIMEUCBCUHMAY-ZDUSSCGKSA-N 1 0 310.239 3.130 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449234532 240082545 /nfs/dbraw/zinc/08/25/45/240082545.db2.gz CIJMSRHUSVBJGV-SNVBAGLBSA-N 1 0 310.369 3.115 10 30 DGEERO C=CCCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474072373 244368093 /nfs/dbraw/zinc/36/80/93/244368093.db2.gz IDMYYQRDWLRJKC-SFHVURJKSA-N 1 0 315.461 3.259 10 30 DGEERO CCC[NH+](CCC)CCCNC(=O)c1ccc(C#N)cc1C ZINC000119766997 284151584 /nfs/dbraw/zinc/15/15/84/284151584.db2.gz JEVKHEONGIPGLV-UHFFFAOYSA-N 1 0 301.434 3.109 10 30 DGEERO Cc1cc(C)c(C#N)c(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000171365594 432127521 /nfs/dbraw/zinc/12/75/21/432127521.db2.gz DSLCDQFNWJOSPB-INIZCTEOSA-N 1 0 321.428 3.212 10 30 DGEERO O=C1C[C@@H](c2cccs2)CC2=[NH+][C@H]3CCCC[C@@H]3NC=C12 ZINC000017025029 182068346 /nfs/dbraw/zinc/06/83/46/182068346.db2.gz IWJDCNMNLSHXAS-UBHSHLNASA-N 1 0 300.427 3.434 10 30 DGEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246452419 432132951 /nfs/dbraw/zinc/13/29/51/432132951.db2.gz OTEJHHABEZHKNI-XHDPSFHLSA-N 1 0 320.824 3.062 10 30 DGEERO N#Cc1ccccc1O[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957085 183322683 /nfs/dbraw/zinc/32/26/83/183322683.db2.gz MBZZYVPNRUQBAN-HNNXBMFYSA-N 1 0 317.186 3.400 10 30 DGEERO CC(C)N(CCC#N)[C@@H](C[NH3+])c1ccccc1Br ZINC000043093390 183336622 /nfs/dbraw/zinc/33/66/22/183336622.db2.gz JJIAHHGJEDZEAQ-AWEZNQCLSA-N 1 0 310.239 3.073 10 30 DGEERO N#Cc1ccc(O[C@@H](C[NH3+])c2ccccc2Br)cc1 ZINC000043094373 183336402 /nfs/dbraw/zinc/33/64/02/183336402.db2.gz NIZNOAREWJWVIV-HNNXBMFYSA-N 1 0 317.186 3.400 10 30 DGEERO CC1CC[NH+](Cc2ccc(CNc3cnc(C#N)cn3)cc2)CC1 ZINC000106464140 194219609 /nfs/dbraw/zinc/21/96/09/194219609.db2.gz YFYPJJQYVXOLGO-UHFFFAOYSA-N 1 0 321.428 3.192 10 30 DGEERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)[C@@H](C)CC#N ZINC000063085403 184269882 /nfs/dbraw/zinc/26/98/82/184269882.db2.gz DGDMOKMTPDHFBX-MISXGVKJSA-N 1 0 310.239 3.071 10 30 DGEERO CN(C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(F)cc1 ZINC000033910923 257211762 /nfs/dbraw/zinc/21/17/62/257211762.db2.gz NSJVWZSRKSURAR-GHYOLMRSSA-N 1 0 302.271 3.328 10 30 DGEERO COc1ccc(C#N)cc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000178919783 533268320 /nfs/dbraw/zinc/26/83/20/533268320.db2.gz MGVLIGCEIFREGH-UHFFFAOYSA-N 1 0 302.418 3.204 10 30 DGEERO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1CCC(C#N)CC1 ZINC000442869748 533625869 /nfs/dbraw/zinc/62/58/69/533625869.db2.gz SUFTYGNQXGTDJS-KLAILNCOSA-N 1 0 305.466 3.087 10 30 DGEERO C=CCOCCC[NH2+][C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000595076989 400100636 /nfs/dbraw/zinc/10/06/36/400100636.db2.gz KNGLMCCBHJCEMR-CQSZACIVSA-N 1 0 321.417 3.324 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000581888214 400083455 /nfs/dbraw/zinc/08/34/55/400083455.db2.gz VUOYDRDIGGQKKC-VQIMIIECSA-N 1 0 300.446 3.370 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1-n1ccnn1 ZINC000586789916 400157783 /nfs/dbraw/zinc/15/77/83/400157783.db2.gz PIWGDXNMKFPOKR-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO C=C(C)COc1cc(C[N@H+](C)[C@H](CO)CC(C)C)ccc1OC ZINC000579892910 400343880 /nfs/dbraw/zinc/34/38/80/400343880.db2.gz JSIHNHHKYUUXDB-KRWDZBQOSA-N 1 0 321.461 3.489 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccccc4)CCC3)n2c1 ZINC000123240600 400467549 /nfs/dbraw/zinc/46/75/49/400467549.db2.gz YPQNLQAHJXRNOB-UHFFFAOYSA-N 1 0 316.408 3.417 10 30 DGEERO C[C@]1(C#N)CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000612371136 400533346 /nfs/dbraw/zinc/53/33/46/400533346.db2.gz YXEMBMJKSOSBRC-LJQANCHMSA-N 1 0 311.429 3.048 10 30 DGEERO C=CCCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602705613 400546445 /nfs/dbraw/zinc/54/64/45/400546445.db2.gz NQABBJAQSSVZSR-UHFFFAOYSA-N 1 0 318.421 3.295 10 30 DGEERO C=CCN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1ccc(C)cc1 ZINC000137525195 400595617 /nfs/dbraw/zinc/59/56/17/400595617.db2.gz BHEGTZIMVMPYTL-DZBQEORWSA-N 1 0 321.491 3.440 10 30 DGEERO Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000619200295 400799416 /nfs/dbraw/zinc/79/94/16/400799416.db2.gz QJJKNDYVKLKRGF-HOCLYGCPSA-N 1 0 312.392 3.247 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000181110469 400887995 /nfs/dbraw/zinc/88/79/95/400887995.db2.gz PAMVFPMWSUEIJJ-SJORKVTESA-N 1 0 307.482 3.391 10 30 DGEERO CO[C@H]1CCC[C@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000619425250 400845068 /nfs/dbraw/zinc/84/50/68/400845068.db2.gz GNXKOEZUBKMZNQ-IRXDYDNUSA-N 1 0 304.459 3.339 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000633411291 400939757 /nfs/dbraw/zinc/93/97/57/400939757.db2.gz NAHXETBSWDRLQG-INIZCTEOSA-N 1 0 307.482 3.249 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000194445497 400919665 /nfs/dbraw/zinc/91/96/65/400919665.db2.gz RUAGSHGZWGDQIG-UHFFFAOYSA-N 1 0 315.339 3.330 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000629589747 400984966 /nfs/dbraw/zinc/98/49/66/400984966.db2.gz YLLPOMQZYNDDAF-AWEZNQCLSA-N 1 0 302.418 3.100 10 30 DGEERO N#CCCCC[C@@H]([NH3+])C(=O)NCc1c(Cl)cccc1Cl ZINC000594428089 401064146 /nfs/dbraw/zinc/06/41/46/401064146.db2.gz LCJLWSCTMATFJD-CYBMUJFWSA-N 1 0 314.216 3.021 10 30 DGEERO C=CCC1(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCCCC1 ZINC000620978753 401027964 /nfs/dbraw/zinc/02/79/64/401027964.db2.gz MYBUEAKJOFWPOY-KRWDZBQOSA-N 1 0 322.493 3.082 10 30 DGEERO C=C(C)[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC)c1ccc(F)c(F)c1 ZINC000594947565 401202745 /nfs/dbraw/zinc/20/27/45/401202745.db2.gz VISOWKULHNQLHD-KBNOKHGBSA-N 1 0 309.356 3.369 10 30 DGEERO C=C(C)[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC)c1ccc(F)c(F)c1 ZINC000594947564 401202815 /nfs/dbraw/zinc/20/28/15/401202815.db2.gz VISOWKULHNQLHD-HBCZOZSTSA-N 1 0 309.356 3.369 10 30 DGEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(SC)cc2)C1 ZINC000625701895 401186193 /nfs/dbraw/zinc/18/61/93/401186193.db2.gz LZDBKAXWTNTPEZ-GJZGRUSLSA-N 1 0 307.459 3.046 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(C)c(OC)c3)no2)C1 ZINC000625703393 401187771 /nfs/dbraw/zinc/18/77/71/401187771.db2.gz KPTMLBIVZSSHAQ-CQSZACIVSA-N 1 0 313.401 3.452 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2cc(OC)ncc2Br)C1 ZINC000625705646 401188198 /nfs/dbraw/zinc/18/81/98/401188198.db2.gz SAFOBNLFDWLCEA-LLVKDONJSA-N 1 0 311.223 3.251 10 30 DGEERO C=CCOCC[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982871 401272083 /nfs/dbraw/zinc/27/20/83/401272083.db2.gz VZVZJZWEGQJOGI-OAHLLOKOSA-N 1 0 317.260 3.388 10 30 DGEERO C=CCC[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccccc1 ZINC000634971954 401392607 /nfs/dbraw/zinc/39/26/07/401392607.db2.gz KFTSWXWJLLBHER-IAGOWNOFSA-N 1 0 307.459 3.251 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)ccc1OC ZINC000631220683 401430060 /nfs/dbraw/zinc/43/00/60/401430060.db2.gz WIICSVQGJWIMRD-IJEWVQPXSA-N 1 0 305.418 3.306 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)ccc1OC ZINC000631220684 401430071 /nfs/dbraw/zinc/43/00/71/401430071.db2.gz WIICSVQGJWIMRD-OFQRWUPVSA-N 1 0 305.418 3.306 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)ccc1OC ZINC000631220685 401430169 /nfs/dbraw/zinc/43/01/69/401430169.db2.gz WIICSVQGJWIMRD-SQWLQELKSA-N 1 0 305.418 3.306 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000627121128 401446802 /nfs/dbraw/zinc/44/68/02/401446802.db2.gz PURYPRGCNOJNEL-JKSUJKDBSA-N 1 0 307.482 3.010 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000631294471 401446904 /nfs/dbraw/zinc/44/69/04/401446904.db2.gz LRPIFCZWVWWRFT-SJORKVTESA-N 1 0 304.478 3.456 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@H](c2nccn2C)c2ccccc2)C1 ZINC000623399806 401508290 /nfs/dbraw/zinc/50/82/90/401508290.db2.gz AGKIJGXBYJKYGM-WBVHZDCISA-N 1 0 324.428 3.117 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000623465376 401524092 /nfs/dbraw/zinc/52/40/92/401524092.db2.gz OMXDQYSUUDVYIZ-KRWDZBQOSA-N 1 0 307.482 3.106 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)COCc2ccccc2)C1 ZINC000623828351 401584553 /nfs/dbraw/zinc/58/45/53/401584553.db2.gz VFNQZLJJZBCKLI-BHIYHBOVSA-N 1 0 303.446 3.289 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000628407140 401592652 /nfs/dbraw/zinc/59/26/52/401592652.db2.gz ZVOHIDCFZBQPOQ-GFCCVEGCSA-N 1 0 320.234 3.495 10 30 DGEERO C=CCOc1c(Cl)cc(C[N@H+](C)[C@H]2CCOC2)cc1OC ZINC000628163600 401540162 /nfs/dbraw/zinc/54/01/62/401540162.db2.gz KICDUCXSNGUEMR-ZDUSSCGKSA-N 1 0 311.809 3.134 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)F)cc1 ZINC000623626761 401558391 /nfs/dbraw/zinc/55/83/91/401558391.db2.gz CEMYBTVQBNRXLI-OAHLLOKOSA-N 1 0 310.388 3.071 10 30 DGEERO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000624102332 401626007 /nfs/dbraw/zinc/62/60/07/401626007.db2.gz SWQCGFCAAGVRNA-ZIAGYGMSSA-N 1 0 305.409 3.134 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CC(C)(C)[C@H]2c2ccco2)CC1 ZINC000633039336 401646573 /nfs/dbraw/zinc/64/65/73/401646573.db2.gz CPLHGWZIHGHGCH-MRXNPFEDSA-N 1 0 317.433 3.023 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633155135 401654604 /nfs/dbraw/zinc/65/46/04/401654604.db2.gz ZMANGRSWSSWFLM-INIZCTEOSA-N 1 0 307.482 3.391 10 30 DGEERO C=CC[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000624375030 401656574 /nfs/dbraw/zinc/65/65/74/401656574.db2.gz DVZROVWQRMOFGX-HOTGVXAUSA-N 1 0 305.466 3.001 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000633217672 401661918 /nfs/dbraw/zinc/66/19/18/401661918.db2.gz AXFLTFSJRREQFE-MRXNPFEDSA-N 1 0 318.486 3.484 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624544324 401670264 /nfs/dbraw/zinc/67/02/64/401670264.db2.gz MLHFAPCXDFGVOU-WBVHZDCISA-N 1 0 305.466 3.001 10 30 DGEERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330249887 287060326 /nfs/dbraw/zinc/06/03/26/287060326.db2.gz MTWBPLAXXRXIJV-JWYYIFLZSA-N 1 0 306.450 3.067 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185623123 165009892 /nfs/dbraw/zinc/00/98/92/165009892.db2.gz QXOFFUIWUHORDM-CXAGYDPISA-N 1 0 308.381 3.221 10 30 DGEERO Cn1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191438012 165251199 /nfs/dbraw/zinc/25/11/99/165251199.db2.gz WUZYAUDNSXQOIR-ZBFHGGJFSA-N 1 0 315.442 3.046 10 30 DGEERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000190450869 432159621 /nfs/dbraw/zinc/15/96/21/432159621.db2.gz JTICCNFLDVEGPM-INIZCTEOSA-N 1 0 324.403 3.051 10 30 DGEERO C=CCCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190540828 432167779 /nfs/dbraw/zinc/16/77/79/432167779.db2.gz RZZNCIWAIGIZDC-OAHLLOKOSA-N 1 0 321.490 3.088 10 30 DGEERO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](O)c2ccc(Cl)s2)c1 ZINC000262519971 228645373 /nfs/dbraw/zinc/64/53/73/228645373.db2.gz HYFWFRKKECJYQF-GFCCVEGCSA-N 1 0 323.849 3.479 10 30 DGEERO Cc1ccc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)nc1C#N ZINC000302609497 230317708 /nfs/dbraw/zinc/31/77/08/230317708.db2.gz DTWVBVQGHSTYPE-ZDUSSCGKSA-N 1 0 312.442 3.182 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(C#N)cc1F ZINC000358580606 270003943 /nfs/dbraw/zinc/00/39/43/270003943.db2.gz YGJWWEJJNUEICV-DXCKQFNASA-N 1 0 320.433 3.403 10 30 DGEERO CC[C@H](C)[NH2+][C@H](CNC(=O)c1sccc1C#N)c1ccco1 ZINC000359548146 270004263 /nfs/dbraw/zinc/00/42/63/270004263.db2.gz UBUIMAZURXZNTN-WCQYABFASA-N 1 0 317.414 3.072 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2nccn3nc(C4CC4)cc23)CC1 ZINC000631108451 424828868 /nfs/dbraw/zinc/82/88/68/424828868.db2.gz PGUYGXLVXZNWDB-UHFFFAOYSA-N 1 0 311.433 3.059 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000424300220 273487776 /nfs/dbraw/zinc/48/77/76/273487776.db2.gz XDDDVCISLVXFNU-ZLIFDBKOSA-N 1 0 316.401 3.498 10 30 DGEERO Cc1cc[n+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000182240910 274731229 /nfs/dbraw/zinc/73/12/29/274731229.db2.gz NPRGJQHABSJFER-HNNXBMFYSA-N 1 0 305.760 3.053 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC12CCC2)C(C)C ZINC000435610532 277848169 /nfs/dbraw/zinc/84/81/69/277848169.db2.gz KHDONLOYOIPNQP-INIZCTEOSA-N 1 0 305.466 3.023 10 30 DGEERO CC[NH+](CC)CC1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000448825821 279092005 /nfs/dbraw/zinc/09/20/05/279092005.db2.gz RZRPNOJVHUNGFZ-IBGZPJMESA-N 1 0 317.477 3.041 10 30 DGEERO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1nccc(C)n1 ZINC000072428781 431334632 /nfs/dbraw/zinc/33/46/32/431334632.db2.gz AYBHYTVCDXATOP-QGZVFWFLSA-N 1 0 312.417 3.026 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000076737851 431560030 /nfs/dbraw/zinc/56/00/30/431560030.db2.gz OZVBIODKITZPGG-CABCVRRESA-N 1 0 304.434 3.159 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000076736926 431561965 /nfs/dbraw/zinc/56/19/65/431561965.db2.gz NLFYAQWAHBSDSX-UHFFFAOYSA-N 1 0 311.769 3.085 10 30 DGEERO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000076491831 431553751 /nfs/dbraw/zinc/55/37/51/431553751.db2.gz OBYOPBMGTXTABW-CRAIPNDOSA-N 1 0 316.445 3.054 10 30 DGEERO C=CCN(CC[C@@H]1CCC[N@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000119610623 431713477 /nfs/dbraw/zinc/71/34/77/431713477.db2.gz GROGFSCMBCKNTR-INIZCTEOSA-N 1 0 303.406 3.067 10 30 DGEERO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000086279400 431844467 /nfs/dbraw/zinc/84/44/67/431844467.db2.gz HEIPUXONKGSMSI-CYBMUJFWSA-N 1 0 306.369 3.496 10 30 DGEERO C#CCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000123052845 431853459 /nfs/dbraw/zinc/85/34/59/431853459.db2.gz SIWXJNJYBIQREQ-SFHVURJKSA-N 1 0 309.413 3.041 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]CCCOC3CCCCC3)n2c1 ZINC000123194143 431857970 /nfs/dbraw/zinc/85/79/70/431857970.db2.gz LVQYFDOWRQVYOL-UHFFFAOYSA-N 1 0 312.417 3.035 10 30 DGEERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000122320946 431826763 /nfs/dbraw/zinc/82/67/63/431826763.db2.gz WXKBPIBXUYCVPK-CVEARBPZSA-N 1 0 315.461 3.296 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810784 431911666 /nfs/dbraw/zinc/91/16/66/431911666.db2.gz KZIRXUXGLDSMDR-CQSZACIVSA-N 1 0 310.401 3.080 10 30 DGEERO C=CCC[C@@H](O)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000125034828 431912211 /nfs/dbraw/zinc/91/22/11/431912211.db2.gz YORULNYLQXOQMS-ZIAGYGMSSA-N 1 0 324.490 3.141 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000093533543 431915981 /nfs/dbraw/zinc/91/59/81/431915981.db2.gz TYFPOKCPGCXAPR-UHFFFAOYSA-N 1 0 308.223 3.495 10 30 DGEERO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000093691332 431917117 /nfs/dbraw/zinc/91/71/17/431917117.db2.gz JXTUMMSSLWAVRQ-HXUWFJFHSA-N 1 0 322.408 3.137 10 30 DGEERO COc1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)c(F)c1 ZINC000090107672 431890603 /nfs/dbraw/zinc/89/06/03/431890603.db2.gz OEAWBQHOZRCCSE-ZDUSSCGKSA-N 1 0 314.360 3.436 10 30 DGEERO Cn1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000091068140 431901300 /nfs/dbraw/zinc/90/13/00/431901300.db2.gz CQNNBRVWWALEJB-UHFFFAOYSA-N 1 0 302.381 3.249 10 30 DGEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000248392321 432284284 /nfs/dbraw/zinc/28/42/84/432284284.db2.gz FHJYRAKSUMBDAI-KBAYOESNSA-N 1 0 313.445 3.036 10 30 DGEERO C=C[C@H](CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccccc1 ZINC000248069888 432265171 /nfs/dbraw/zinc/26/51/71/432265171.db2.gz QEOUNFQXBSWAPJ-NEWSRXKRSA-N 1 0 312.457 3.289 10 30 DGEERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)cc1C ZINC000249146241 432341134 /nfs/dbraw/zinc/34/11/34/432341134.db2.gz UDRGYVRDUXZGDJ-JQHSSLGASA-N 1 0 312.413 3.173 10 30 DGEERO C=CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175591309 432450797 /nfs/dbraw/zinc/45/07/97/432450797.db2.gz ZNLIBEYENNAQIW-GDBMZVCRSA-N 1 0 317.433 3.198 10 30 DGEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C(F)(F)F ZINC000262302507 432479982 /nfs/dbraw/zinc/47/99/82/432479982.db2.gz OSOPJSCKBYBYSQ-WHOFXGATSA-N 1 0 309.335 3.141 10 30 DGEERO C[NH+]=C(NCc1csc(-c2ccccc2)n1)NC(C)(C)C ZINC000263229042 432528942 /nfs/dbraw/zinc/52/89/42/432528942.db2.gz HLCMICCQPMXWQC-UHFFFAOYSA-N 1 0 302.447 3.274 10 30 DGEERO C#CCN(Cc1nnc(-c2ccccc2OC)o1)C1CCCC1 ZINC000155881767 432578029 /nfs/dbraw/zinc/57/80/29/432578029.db2.gz ITZLETREQLMPID-UHFFFAOYSA-N 1 0 311.385 3.123 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000273459751 432600313 /nfs/dbraw/zinc/60/03/13/432600313.db2.gz QGCAJLNNXOUVOS-DGCLKSJQSA-N 1 0 303.324 3.215 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000186708317 432623784 /nfs/dbraw/zinc/62/37/84/432623784.db2.gz PNNNQKPXUOYZDX-KOLCDFICSA-N 1 0 302.187 3.176 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000186707733 432624096 /nfs/dbraw/zinc/62/40/96/432624096.db2.gz GLVXDFAHIINSFH-SMDDNHRTSA-N 1 0 303.431 3.101 10 30 DGEERO C=CC[C@@H](CO)[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000186708630 432624676 /nfs/dbraw/zinc/62/46/76/432624676.db2.gz UNBZHEUNOWTJMM-GPJFCIFZSA-N 1 0 317.473 3.467 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000186713860 432626000 /nfs/dbraw/zinc/62/60/00/432626000.db2.gz BRNZVZPXBMYORD-IUODEOHRSA-N 1 0 319.836 3.422 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000186713825 432626158 /nfs/dbraw/zinc/62/61/58/432626158.db2.gz BRNZVZPXBMYORD-DOMZBBRYSA-N 1 0 319.836 3.422 10 30 DGEERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000177695882 432651439 /nfs/dbraw/zinc/65/14/39/432651439.db2.gz TUXVNDPQZPZEFU-UHFFFAOYSA-N 1 0 309.435 3.013 10 30 DGEERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000187954490 432695477 /nfs/dbraw/zinc/69/54/77/432695477.db2.gz WNPSRYVUCMTSRV-DNVCBOLYSA-N 1 0 300.446 3.471 10 30 DGEERO CC(C)[N@H+](CCOc1cccc(C#N)c1)CCc1nccs1 ZINC000159891263 432699085 /nfs/dbraw/zinc/69/90/85/432699085.db2.gz PMJGXJCJCFQQCR-UHFFFAOYSA-N 1 0 315.442 3.347 10 30 DGEERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000160001342 432702235 /nfs/dbraw/zinc/70/22/35/432702235.db2.gz PIFMXHZHMRQYNA-QGZVFWFLSA-N 1 0 324.428 3.254 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188087370 432703109 /nfs/dbraw/zinc/70/31/09/432703109.db2.gz VNLRCDKRMKIZPB-XWIAVFTESA-N 1 0 312.438 3.389 10 30 DGEERO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188132635 432707177 /nfs/dbraw/zinc/70/71/77/432707177.db2.gz CNWWZQROZLKUEC-ROUUACIJSA-N 1 0 312.438 3.136 10 30 DGEERO C=C[C@H](CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000160246874 432712593 /nfs/dbraw/zinc/71/25/93/432712593.db2.gz DWROFNNPOSSKRN-AEFFLSMTSA-N 1 0 302.462 3.439 10 30 DGEERO C=CCSCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227658922 432714203 /nfs/dbraw/zinc/71/42/03/432714203.db2.gz YZHLKVAJJCAUIV-CQSZACIVSA-N 1 0 314.495 3.142 10 30 DGEERO C=C(C)[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187757276 432683730 /nfs/dbraw/zinc/68/37/30/432683730.db2.gz QYZOCEAMLGNXAX-XJKSGUPXSA-N 1 0 313.388 3.348 10 30 DGEERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C#N)c2C)[C@H](C)C1 ZINC000178549885 432750645 /nfs/dbraw/zinc/75/06/45/432750645.db2.gz IGTIPYLAYHPDJA-DYVFJYSZSA-N 1 0 314.433 3.061 10 30 DGEERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C#N)cc1C ZINC000162365365 432821034 /nfs/dbraw/zinc/82/10/34/432821034.db2.gz GZPVSGOOIUQPTD-OAHLLOKOSA-N 1 0 301.434 3.107 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000245808262 432864493 /nfs/dbraw/zinc/86/44/93/432864493.db2.gz YYHHSDAXIXILPA-KDOFPFPSSA-N 1 0 310.401 3.048 10 30 DGEERO COc1cc(C#N)ccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245929453 432871827 /nfs/dbraw/zinc/87/18/27/432871827.db2.gz PBJLBXQMWLSWJP-MSOLQXFVSA-N 1 0 313.445 3.014 10 30 DGEERO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000246002461 432874245 /nfs/dbraw/zinc/87/42/45/432874245.db2.gz JZABORGVJBERKO-VQTJNVASSA-N 1 0 322.408 3.437 10 30 DGEERO Cc1cc(C)n([C@H](C)C(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000330045227 432890980 /nfs/dbraw/zinc/89/09/80/432890980.db2.gz GHYFGUPINVAZQG-QQFBHYJXSA-N 1 0 304.438 3.034 10 30 DGEERO C=CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245676896 432853716 /nfs/dbraw/zinc/85/37/16/432853716.db2.gz UGNIPNKVMZPTHC-ZWKOTPCHSA-N 1 0 313.445 3.039 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000330242016 432899942 /nfs/dbraw/zinc/89/99/42/432899942.db2.gz FYNJMVBGRQAPRB-ULKVUYOBSA-N 1 0 310.344 3.098 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000330272738 432902319 /nfs/dbraw/zinc/90/23/19/432902319.db2.gz YBNJWRDYMGCSLI-TZTCFGBESA-N 1 0 310.344 3.098 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2cc(C)c(OC)cc2C)CC1 ZINC000278876640 432911777 /nfs/dbraw/zinc/91/17/77/432911777.db2.gz YFGASWYXKDDEJU-UHFFFAOYSA-N 1 0 317.433 3.084 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000290176375 433007552 /nfs/dbraw/zinc/00/75/52/433007552.db2.gz RKLUOUMSBRNVTC-GWCFXTLKSA-N 1 0 316.214 3.046 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446736445 433096588 /nfs/dbraw/zinc/09/65/88/433096588.db2.gz ULNVAUJJURYTGU-IBGZPJMESA-N 1 0 300.446 3.075 10 30 DGEERO C=CCCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000448028515 433350578 /nfs/dbraw/zinc/35/05/78/433350578.db2.gz DDJZTUYWHHFBDF-ZBFHGGJFSA-N 1 0 321.490 3.396 10 30 DGEERO C=CCCCNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000447980678 433337591 /nfs/dbraw/zinc/33/75/91/433337591.db2.gz WVKBANBCQJBQRT-UHFFFAOYSA-N 1 0 319.424 3.056 10 30 DGEERO C=CCCCNC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448254259 433383123 /nfs/dbraw/zinc/38/31/23/433383123.db2.gz CMZJVVNNRUJNEP-SFHVURJKSA-N 1 0 315.461 3.259 10 30 DGEERO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000375384952 433448488 /nfs/dbraw/zinc/44/84/88/433448488.db2.gz UGFVPTIKCROPAP-FUFFSDJGSA-N 1 0 319.408 3.125 10 30 DGEERO CC[N@@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000301249512 433468515 /nfs/dbraw/zinc/46/85/15/433468515.db2.gz BTVCCQNCYPEVBY-LBPRGKRZSA-N 1 0 312.339 3.258 10 30 DGEERO C[NH+](C)C1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301353412 433519500 /nfs/dbraw/zinc/51/95/00/433519500.db2.gz NOGRWIPLKQJSAP-UHFFFAOYSA-N 1 0 314.820 3.290 10 30 DGEERO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N(C)C(=O)OC(C)(C)C ZINC000283190677 433684719 /nfs/dbraw/zinc/68/47/19/433684719.db2.gz KNSWNXILUVXMMU-KBPBESRZSA-N 1 0 317.433 3.464 10 30 DGEERO CCc1nnc(NCC[N@H+](C)C2CCCCC2)c(C#N)c1CC ZINC000301634409 433650519 /nfs/dbraw/zinc/65/05/19/433650519.db2.gz VSDCFUIYAHLPBU-UHFFFAOYSA-N 1 0 315.465 3.149 10 30 DGEERO C[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000301872348 433769113 /nfs/dbraw/zinc/76/91/13/433769113.db2.gz KUZWIONXCBAHHN-JKSUJKDBSA-N 1 0 312.804 3.464 10 30 DGEERO C=CCc1cc(C[N@H+]2CCC[C@H](COC)CC2)cc(OC)c1O ZINC000449768659 433778261 /nfs/dbraw/zinc/77/82/61/433778261.db2.gz AQHYUSTZYNYJPN-HNNXBMFYSA-N 1 0 319.445 3.378 10 30 DGEERO CCCNc1ccc(C#N)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000362824946 433876695 /nfs/dbraw/zinc/87/66/95/433876695.db2.gz CVGYCEUCILNRPU-UHFFFAOYSA-N 1 0 314.433 3.051 10 30 DGEERO Cn1nccc1[C@H]1CCCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000377197706 433851443 /nfs/dbraw/zinc/85/14/43/433851443.db2.gz RHOJSZNTUUYCNQ-LJQANCHMSA-N 1 0 324.428 3.288 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000284565415 433900120 /nfs/dbraw/zinc/90/01/20/433900120.db2.gz YOIVLFQBEHFZRX-WMLDXEAASA-N 1 0 304.434 3.016 10 30 DGEERO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000449934142 433881491 /nfs/dbraw/zinc/88/14/91/433881491.db2.gz HTFGHAYTANVPFS-HIFRSBDPSA-N 1 0 306.475 3.459 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384299261 434290321 /nfs/dbraw/zinc/29/03/21/434290321.db2.gz YFXVIIBWJFODPM-AAEUAGOBSA-N 1 0 312.866 3.304 10 30 DGEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3sccc3C)C2)n1 ZINC000328645536 434291693 /nfs/dbraw/zinc/29/16/93/434291693.db2.gz ZTQRVJAIAYVBQX-CYBMUJFWSA-N 1 0 304.419 3.308 10 30 DGEERO C=CCCCCCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000286988557 434302453 /nfs/dbraw/zinc/30/24/53/434302453.db2.gz JLOWERZFWDNROO-AWEZNQCLSA-N 1 0 310.463 3.121 10 30 DGEERO C[NH+](C)[C@H](CNC(=O)C[C@H]1CCCCNC1=O)c1cccs1 ZINC000328799668 434312104 /nfs/dbraw/zinc/31/21/04/434312104.db2.gz XUOQAYHJURNQFV-CHWSQXEVSA-N 1 0 323.462 3.454 10 30 DGEERO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830132 434316047 /nfs/dbraw/zinc/31/60/47/434316047.db2.gz KKNMMNLQXBIRAE-PVAVHDDUSA-N 1 0 321.428 3.343 10 30 DGEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC3CCCC3)nc2)C1 ZINC000329285607 434387412 /nfs/dbraw/zinc/38/74/12/434387412.db2.gz GONHYAUDZDGXHR-OAHLLOKOSA-N 1 0 317.433 3.192 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329317686 434389497 /nfs/dbraw/zinc/38/94/97/434389497.db2.gz DEZGJNOFFZCUOE-HZPDHXFCSA-N 1 0 323.481 3.458 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000358394091 434392370 /nfs/dbraw/zinc/39/23/70/434392370.db2.gz FXASCOBGTQURFC-MJGOQNOKSA-N 1 0 302.462 3.398 10 30 DGEERO C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(C#N)cc1F ZINC000358556367 434396624 /nfs/dbraw/zinc/39/66/24/434396624.db2.gz AUSRXFLJBOXACP-CYBMUJFWSA-N 1 0 321.359 3.129 10 30 DGEERO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(C#N)cc1F ZINC000358567822 434399747 /nfs/dbraw/zinc/39/97/47/434399747.db2.gz JUSJQDQXHWLFPI-CYBMUJFWSA-N 1 0 321.359 3.129 10 30 DGEERO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358591216 434399905 /nfs/dbraw/zinc/39/99/05/434399905.db2.gz OCVICLUJEXWHJS-PBHICJAKSA-N 1 0 312.388 3.199 10 30 DGEERO CO[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(O)cc1 ZINC000329493457 434422289 /nfs/dbraw/zinc/42/22/89/434422289.db2.gz IAVMALAXMSTVBH-VMBOVVBDSA-N 1 0 318.417 3.053 10 30 DGEERO CO[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccc(O)cc1 ZINC000329493454 434422526 /nfs/dbraw/zinc/42/25/26/434422526.db2.gz IAVMALAXMSTVBH-DQPZFDDXSA-N 1 0 318.417 3.053 10 30 DGEERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000397468415 434437953 /nfs/dbraw/zinc/43/79/53/434437953.db2.gz UKOAUUIYDUHMLP-UHFFFAOYSA-N 1 0 317.433 3.341 10 30 DGEERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000408148053 434546433 /nfs/dbraw/zinc/54/64/33/434546433.db2.gz KERKPBVLMXOBFN-ZIAGYGMSSA-N 1 0 314.433 3.044 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000424170839 434643820 /nfs/dbraw/zinc/64/38/20/434643820.db2.gz JUXGDTOFTDPFRK-HZMBPMFUSA-N 1 0 314.198 3.269 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000424169796 434644178 /nfs/dbraw/zinc/64/41/78/434644178.db2.gz IFLQMOBCCOLLBA-ZFWWWQNUSA-N 1 0 310.235 3.438 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000424170870 434644312 /nfs/dbraw/zinc/64/43/12/434644312.db2.gz KANFLLZFUPPYEP-BBRMVZONSA-N 1 0 317.820 3.411 10 30 DGEERO C=CC[C@@H](CC)NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418153414 434606802 /nfs/dbraw/zinc/60/68/02/434606802.db2.gz WIAREJXFRRZEJD-ZACQAIPSSA-N 1 0 319.424 3.007 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000424294008 434681921 /nfs/dbraw/zinc/68/19/21/434681921.db2.gz JRWYACJKWYQMEL-COXVUDFISA-N 1 0 319.445 3.124 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000424300478 434684960 /nfs/dbraw/zinc/68/49/60/434684960.db2.gz XWLRKFLMGSDVCQ-AYBZRNKSSA-N 1 0 311.429 3.173 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000424299586 434685645 /nfs/dbraw/zinc/68/56/45/434685645.db2.gz VQJUPWUWWFDVHD-SZMVWBNQSA-N 1 0 307.409 3.474 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000424300485 434685713 /nfs/dbraw/zinc/68/57/13/434685713.db2.gz XXAVRLDCJQQBPP-DZJNRPSUSA-N 1 0 301.430 3.413 10 30 DGEERO C=CCN1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453102895 434800607 /nfs/dbraw/zinc/80/06/07/434800607.db2.gz QTNGGDFNVNXLEM-INIZCTEOSA-N 1 0 324.472 3.388 10 30 DGEERO C=CCOc1ccc(CN2CC[C@H](C)C[C@@H]2C(=O)OC)cc1 ZINC000361139590 434806995 /nfs/dbraw/zinc/80/69/95/434806995.db2.gz GYYFDFMCSIFFSM-WMLDXEAASA-N 1 0 303.402 3.025 10 30 DGEERO C=CCCC[C@H](C)NC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000372465360 434830333 /nfs/dbraw/zinc/83/03/33/434830333.db2.gz PYKYSDUMMDWUSB-KBPBESRZSA-N 1 0 303.450 3.499 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000521604193 434888784 /nfs/dbraw/zinc/88/87/84/434888784.db2.gz VILVKUONFLSCTJ-UHFFFAOYSA-N 1 0 315.461 3.257 10 30 DGEERO C=CCCC[N@@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000524248143 434973234 /nfs/dbraw/zinc/97/32/34/434973234.db2.gz MMFNXLJWYJHYFH-AWEZNQCLSA-N 1 0 317.351 3.343 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1OC ZINC000527738947 435014132 /nfs/dbraw/zinc/01/41/32/435014132.db2.gz ZTOXZSRXZCWSNS-OAHLLOKOSA-N 1 0 305.418 3.166 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1OC ZINC000527803086 435014657 /nfs/dbraw/zinc/01/46/57/435014657.db2.gz USVHWRKZYMVVKU-AHXJXLJNSA-N 1 0 305.418 3.162 10 30 DGEERO C=CCN1CC[C@@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773084 435028923 /nfs/dbraw/zinc/02/89/23/435028923.db2.gz GTGBLLFWTUCCIU-IAGOWNOFSA-N 1 0 316.420 3.181 10 30 DGEERO C[C@@](C#N)(NC(=O)C[NH2+]C1C2CC3CC(C2)CC1C3)C1CC1 ZINC000328770014 297835452 /nfs/dbraw/zinc/83/54/52/297835452.db2.gz IVDHJVDNEACZBH-MKFPHEQSSA-N 1 0 301.434 3.049 10 30 DGEERO C=CCCCCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000565221939 435277618 /nfs/dbraw/zinc/27/76/18/435277618.db2.gz NMCYXJHMRRDGIQ-SJORKVTESA-N 1 0 307.482 3.297 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)CC1 ZINC000566323679 435287004 /nfs/dbraw/zinc/28/70/04/435287004.db2.gz YSHZNZUEWJQNFL-USSHROBNSA-N 1 0 319.493 3.151 10 30 DGEERO C=CCn1c(SC[C@@H](C)[NH+](C)C)nnc1-c1ccc(F)cc1 ZINC000479220006 435323168 /nfs/dbraw/zinc/32/31/68/435323168.db2.gz SMUIMMNEZIMLPY-GFCCVEGCSA-N 1 0 320.437 3.312 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000536995560 435420609 /nfs/dbraw/zinc/42/06/09/435420609.db2.gz SXNLWJKCMAKRLF-CQSZACIVSA-N 1 0 308.495 3.357 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000540298262 435594679 /nfs/dbraw/zinc/59/46/79/435594679.db2.gz FZJFKHYBHIRJIL-GFCCVEGCSA-N 1 0 306.372 3.122 10 30 DGEERO C=C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000517468767 435594791 /nfs/dbraw/zinc/59/47/91/435594791.db2.gz XPKUCIWHRBZIAD-GFCCVEGCSA-N 1 0 316.228 3.385 10 30 DGEERO C=CCCCCCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000519638323 435695985 /nfs/dbraw/zinc/69/59/85/435695985.db2.gz AZSAIMAUNLQTIS-HNNXBMFYSA-N 1 0 309.479 3.396 10 30 DGEERO CCC[C@@H]1CN(c2ccncc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000548490419 435699187 /nfs/dbraw/zinc/69/91/87/435699187.db2.gz VKBQILWLLUJKAB-LJQANCHMSA-N 1 0 320.440 3.444 10 30 DGEERO C[N@@H+]1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000572831302 435872507 /nfs/dbraw/zinc/87/25/07/435872507.db2.gz JTQLDOZUMWLVHH-INMHGKMJSA-N 1 0 316.474 3.164 10 30 DGEERO Cc1cc(C[NH2+]CC[C@H]2COc3ccccc3O2)ccc1C#N ZINC000444004249 533696052 /nfs/dbraw/zinc/69/60/52/533696052.db2.gz QESVARHSJHUKAH-KRWDZBQOSA-N 1 0 308.381 3.186 10 30 DGEERO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CC=CCC1 ZINC000543175540 314118477 /nfs/dbraw/zinc/11/84/77/314118477.db2.gz CTNVYWPUPJURIJ-ZDUSSCGKSA-N 1 0 317.820 3.438 10 30 DGEERO CC[NH+]1CCN(c2ccc(Nc3ccncc3C#N)c(C)c2)CC1 ZINC000547824394 314399278 /nfs/dbraw/zinc/39/92/78/314399278.db2.gz FMLJSAYNUZBPGM-UHFFFAOYSA-N 1 0 321.428 3.147 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000303753539 334330187 /nfs/dbraw/zinc/33/01/87/334330187.db2.gz MJWYJFKWRHSDTF-KRWDZBQOSA-N 1 0 300.446 3.058 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191593633 335771521 /nfs/dbraw/zinc/77/15/21/335771521.db2.gz URHDWHGTWOURBG-ZETCQYMHSA-N 1 0 310.644 3.191 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000185053411 337201483 /nfs/dbraw/zinc/20/14/83/337201483.db2.gz QRAAFUGAUUFRGC-AEFFLSMTSA-N 1 0 300.446 3.370 10 30 DGEERO N#Cc1ccc2ncnc(N[C@H]3CC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000584639822 337379796 /nfs/dbraw/zinc/37/97/96/337379796.db2.gz BSPDIFWVOYZERR-WKILWMFISA-N 1 0 321.428 3.320 10 30 DGEERO C=CCOc1cccc(CNc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000530181128 340782031 /nfs/dbraw/zinc/78/20/31/340782031.db2.gz GXSIIRARJRYRJA-UHFFFAOYSA-N 1 0 310.397 3.346 10 30 DGEERO Cc1cc(C)n2c(C[NH2+][C@@H](CCC#N)c3ccccc3)cnc2n1 ZINC000130389848 341020553 /nfs/dbraw/zinc/02/05/53/341020553.db2.gz VAJMQEZYLJGLQS-SFHVURJKSA-N 1 0 319.412 3.481 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132333217 341121001 /nfs/dbraw/zinc/12/10/01/341121001.db2.gz JXETYRVQAUKDRO-HOCLYGCPSA-N 1 0 321.490 3.174 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2cccc([C@@H](C)OC)c2)CC1 ZINC000171639996 341781825 /nfs/dbraw/zinc/78/18/25/341781825.db2.gz JWZXUUIYZHALJT-CQSZACIVSA-N 1 0 317.433 3.166 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000449549213 534577318 /nfs/dbraw/zinc/57/73/18/534577318.db2.gz VSUBPWOLIGLDOC-MJEQTWJJSA-N 1 0 318.417 3.038 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000459054256 534598634 /nfs/dbraw/zinc/59/86/34/534598634.db2.gz SPJKFRCWGMWKFZ-HOTGVXAUSA-N 1 0 307.482 3.247 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449359488 534696395 /nfs/dbraw/zinc/69/63/95/534696395.db2.gz QONKROQEVBTZCJ-HUUCEWRRSA-N 1 0 307.459 3.282 10 30 DGEERO C=CCCCNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000458719458 534727841 /nfs/dbraw/zinc/72/78/41/534727841.db2.gz ILGDWXSIIFVSBV-INIZCTEOSA-N 1 0 321.490 3.277 10 30 DGEERO C[NH+]=C(NCc1ncccc1C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000157245357 526391731 /nfs/dbraw/zinc/39/17/31/526391731.db2.gz DTRPUTQGHQLRLJ-CQSZACIVSA-N 1 0 314.408 3.264 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC2(C)CCC(C)CC2)CC1 ZINC000353724697 526433039 /nfs/dbraw/zinc/43/30/39/526433039.db2.gz QCRIFNDWJHSQFQ-UHFFFAOYSA-N 1 0 307.482 3.152 10 30 DGEERO C=C(C)CC[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000352394596 526445660 /nfs/dbraw/zinc/44/56/60/526445660.db2.gz QTUVQPSFOLYXED-UHFFFAOYSA-N 1 0 302.447 3.088 10 30 DGEERO C=CCN1CCC([NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337503730 526452519 /nfs/dbraw/zinc/45/25/19/526452519.db2.gz DBXWACLIVIEVLZ-HNNXBMFYSA-N 1 0 302.466 3.299 10 30 DGEERO C=C(C)CC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000352423416 526456074 /nfs/dbraw/zinc/45/60/74/526456074.db2.gz XNEZKINDLIANLD-ZBFHGGJFSA-N 1 0 310.800 3.307 10 30 DGEERO C=C(C)CN1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352388996 526604308 /nfs/dbraw/zinc/60/43/08/526604308.db2.gz YLOZCIVPWQJPSQ-UHFFFAOYSA-N 1 0 324.472 3.217 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000185232433 526693793 /nfs/dbraw/zinc/69/37/93/526693793.db2.gz YLNSIYNVYBOHID-OAHLLOKOSA-N 1 0 306.425 3.318 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000342054337 526694188 /nfs/dbraw/zinc/69/41/88/526694188.db2.gz ZTLOILBGNGPOCX-QGZVFWFLSA-N 1 0 324.509 3.186 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000185171451 526698553 /nfs/dbraw/zinc/69/85/53/526698553.db2.gz VVUMUJPIKXHONU-OAHLLOKOSA-N 1 0 310.507 3.067 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000185396481 526699551 /nfs/dbraw/zinc/69/95/51/526699551.db2.gz ITFJLQKQOLKZDU-GDBMZVCRSA-N 1 0 304.434 3.443 10 30 DGEERO C=CCOCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339205429 526784171 /nfs/dbraw/zinc/78/41/71/526784171.db2.gz VYOXDFDGVPXVHZ-HOTGVXAUSA-N 1 0 312.816 3.017 10 30 DGEERO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000353286929 526834043 /nfs/dbraw/zinc/83/40/43/526834043.db2.gz PLJBSWKZASFPPX-VQIMIIECSA-N 1 0 311.429 3.158 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000352383707 526867121 /nfs/dbraw/zinc/86/71/21/526867121.db2.gz MLFAACYMIUFBSG-KRWDZBQOSA-N 1 0 311.429 3.365 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1 ZINC000355152123 526869583 /nfs/dbraw/zinc/86/95/83/526869583.db2.gz SLUMQJVXUJQHFN-GBESFXJTSA-N 1 0 317.429 3.020 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](OCC)[C@@]12CCCO2 ZINC000358570624 526952313 /nfs/dbraw/zinc/95/23/13/526952313.db2.gz NJITWUQPUOFKQT-CEXWTWQISA-N 1 0 317.429 3.068 10 30 DGEERO C=CCC1(C(=O)N(CCC)CC[NH+]2CCCCC2)CCOCC1 ZINC000424825578 527038403 /nfs/dbraw/zinc/03/84/03/527038403.db2.gz CSCBYTLXULTVJY-UHFFFAOYSA-N 1 0 322.493 3.084 10 30 DGEERO C=CCCC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262734799 527068077 /nfs/dbraw/zinc/06/80/77/527068077.db2.gz BOTWEXCPAIKFNF-HNNXBMFYSA-N 1 0 304.459 3.185 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000346998766 527191506 /nfs/dbraw/zinc/19/15/06/527191506.db2.gz YNYLPQKIAOTVTM-UHFFFAOYSA-N 1 0 324.852 3.075 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc(OC)c1O ZINC000355116066 527236761 /nfs/dbraw/zinc/23/67/61/527236761.db2.gz SAGQTJPLABYPIH-DLBZAZTESA-N 1 0 317.429 3.130 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000415584516 527259240 /nfs/dbraw/zinc/25/92/40/527259240.db2.gz SUNSFOKDSRESBT-BBRMVZONSA-N 1 0 301.434 3.492 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000340940524 527274310 /nfs/dbraw/zinc/27/43/10/527274310.db2.gz ONDAFSIECJTOQS-AWEZNQCLSA-N 1 0 322.399 3.467 10 30 DGEERO C=CCn1c(C)cc(C(=O)C[N@@H+](C(C)C)C2CCOCC2)c1C ZINC000177653674 527292276 /nfs/dbraw/zinc/29/22/76/527292276.db2.gz GNRIACYOTDYNMP-UHFFFAOYSA-N 1 0 318.461 3.363 10 30 DGEERO C=CCN(CC=C)C(=O)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434500155 527607924 /nfs/dbraw/zinc/60/79/24/527607924.db2.gz AQBUPPBNPQYUNE-UHFFFAOYSA-N 1 0 316.420 3.148 10 30 DGEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338341890 527631526 /nfs/dbraw/zinc/63/15/26/527631526.db2.gz LIIYBNUZHKEWDX-INIZCTEOSA-N 1 0 314.429 3.348 10 30 DGEERO CCCC[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1F ZINC000356990442 528397561 /nfs/dbraw/zinc/39/75/61/528397561.db2.gz UAWQAHHHXBRLBH-UHFFFAOYSA-N 1 0 319.424 3.190 10 30 DGEERO CCCCn1cc[n+]([C@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000160083595 529087177 /nfs/dbraw/zinc/08/71/77/529087177.db2.gz QTPWQBACSPDFIL-KRWDZBQOSA-N 1 0 316.400 3.083 10 30 DGEERO N#Cc1ccc(OCC[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000181155001 546154620 /nfs/dbraw/zinc/15/46/20/546154620.db2.gz YDGMBPXPVJWBTC-SFHVURJKSA-N 1 0 308.381 3.441 10 30 DGEERO C=CCOc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000245770327 546299705 /nfs/dbraw/zinc/29/97/05/546299705.db2.gz ROZKPNQRZGHJGI-PKOBYXMFSA-N 1 0 301.430 3.378 10 30 DGEERO C=C(C)COCCNc1[nH+]ccc2cc(OC)c(OC)cc21 ZINC000320276139 546467073 /nfs/dbraw/zinc/46/70/73/546467073.db2.gz MEMCWSLGYMIIHX-UHFFFAOYSA-N 1 0 302.374 3.257 10 30 DGEERO C=CCOCC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000384039344 546742354 /nfs/dbraw/zinc/74/23/54/546742354.db2.gz QBTSYFKFNBIQME-JTQLQIEISA-N 1 0 302.187 3.441 10 30 DGEERO COc1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1C#N ZINC000742370392 574992865 /nfs/dbraw/zinc/99/28/65/574992865.db2.gz QCAOPJQLWNNZIY-CQSZACIVSA-N 1 0 321.380 3.320 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCN2CCc3ccccc32)cc1 ZINC000742718747 575014550 /nfs/dbraw/zinc/01/45/50/575014550.db2.gz ZLWCRIJGJOYEMX-UHFFFAOYSA-N 1 0 308.425 3.404 10 30 DGEERO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000300738024 617686185 /nfs/dbraw/zinc/68/61/85/617686185.db2.gz ALQLXWMTLTWVRY-XHSDSOJGSA-N 1 0 308.466 3.269 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C1CC1)C1CCCC1 ZINC000131046851 625936730 /nfs/dbraw/zinc/93/67/30/625936730.db2.gz CLUBQSAMZSIIDX-UHFFFAOYSA-N 1 0 321.428 3.490 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@]2(O)CCc3ccccc32)cc1 ZINC000132142602 626701743 /nfs/dbraw/zinc/70/17/43/626701743.db2.gz ZYKUKBRQRUWGCE-HXUWFJFHSA-N 1 0 309.409 3.175 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000104155299 627410898 /nfs/dbraw/zinc/41/08/98/627410898.db2.gz VLPXKTGQXUFPHP-QGZVFWFLSA-N 1 0 314.408 3.164 10 30 DGEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712434503 661188677 /nfs/dbraw/zinc/18/86/77/661188677.db2.gz LVOMUAZCDUGXAQ-AAEUAGOBSA-N 1 0 312.255 3.407 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2c(c1)CCO2 ZINC000181155244 655973969 /nfs/dbraw/zinc/97/39/69/655973969.db2.gz HHYZWTXWDYWVHK-AWEZNQCLSA-N 1 0 308.381 3.223 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000236677396 656113975 /nfs/dbraw/zinc/11/39/75/656113975.db2.gz AGZNFPSZLVDIKD-UHFFFAOYSA-N 1 0 320.396 3.122 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1ccc(Cl)cc1Br ZINC000716937252 661234348 /nfs/dbraw/zinc/23/43/48/661234348.db2.gz UOFXEOMKNIENIK-GFCCVEGCSA-N 1 0 316.626 3.230 10 30 DGEERO CC(C)(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C(C)(F)F ZINC000724084765 656509073 /nfs/dbraw/zinc/50/90/73/656509073.db2.gz SHNIFYXRYNWADE-QMMMGPOBSA-N 1 0 313.257 3.206 10 30 DGEERO C#CCCOc1ccc(CNCC[N@@H+](C)C2CCCCC2)cc1 ZINC000237156522 657336291 /nfs/dbraw/zinc/33/62/91/657336291.db2.gz ZIOHPMZMHKICLY-UHFFFAOYSA-N 1 0 314.473 3.443 10 30 DGEERO CCc1nc(CNC(N[C@@H](C)c2ccc(C)o2)=[NH+]C)cs1 ZINC000085786608 657497567 /nfs/dbraw/zinc/49/75/67/657497567.db2.gz QILWGSINSHTHDN-NSHDSACASA-N 1 0 306.435 3.033 10 30 DGEERO [NH2+]=C(NCCSCc1ccccc1F)NC1CCCCC1 ZINC000303781429 657562798 /nfs/dbraw/zinc/56/27/98/657562798.db2.gz MFIRXQOAIOUOGP-UHFFFAOYSA-N 1 0 309.454 3.296 10 30 DGEERO CCCNC(=O)c1cccc(CNC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000303892621 657573111 /nfs/dbraw/zinc/57/31/11/657573111.db2.gz NSWYTLSNRBWYEO-UHFFFAOYSA-N 1 0 324.428 3.062 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NCC1(c2ccc(F)cc2)CC1 ZINC000303889960 657573348 /nfs/dbraw/zinc/57/33/48/657573348.db2.gz PSYUCULXLLGQNL-UHFFFAOYSA-N 1 0 317.433 3.066 10 30 DGEERO Cc1cccc(C(C)(C)CNC(=[NH2+])NCCc2cccs2)c1 ZINC000303975723 657583933 /nfs/dbraw/zinc/58/39/33/657583933.db2.gz JJHQCTQDKPRJDG-UHFFFAOYSA-N 1 0 315.486 3.481 10 30 DGEERO COC(=O)c1ccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)cc1 ZINC000303722942 657694222 /nfs/dbraw/zinc/69/42/22/657694222.db2.gz YNFZDMMIRFQGPK-UHFFFAOYSA-N 1 0 311.385 3.017 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCc2nc3c(s2)CCCC3)c1 ZINC000305719208 657928233 /nfs/dbraw/zinc/92/82/33/657928233.db2.gz OFHGFSVDCGOTNC-UHFFFAOYSA-N 1 0 314.458 3.300 10 30 DGEERO [NH2+]=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)N1CCCCCC1 ZINC000262815714 658044247 /nfs/dbraw/zinc/04/42/47/658044247.db2.gz OVZKBCYLRIQEAT-KGLIPLIRSA-N 1 0 323.387 3.335 10 30 DGEERO CC(C)[C@H]1C[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)CCO1 ZINC000263064809 658114668 /nfs/dbraw/zinc/11/46/68/658114668.db2.gz FYXQDDGXBJNEIC-IAQYHMDHSA-N 1 0 311.376 3.143 10 30 DGEERO CCc1ccc([C@H](C)NC(NCc2ncccc2C)=[NH+]C)cc1 ZINC000085767185 658578356 /nfs/dbraw/zinc/57/83/56/658578356.db2.gz LLSABVOEZXRXAU-HNNXBMFYSA-N 1 0 310.445 3.379 10 30 DGEERO C=CCC[C@H](CC)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000164259725 658923307 /nfs/dbraw/zinc/92/33/07/658923307.db2.gz UUGUPIYPXOFMOQ-HIFRSBDPSA-N 1 0 310.463 3.454 10 30 DGEERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000230166543 659314398 /nfs/dbraw/zinc/31/43/98/659314398.db2.gz MQDHOSSMLYPTEV-AWEZNQCLSA-N 1 0 309.454 3.163 10 30 DGEERO C#CCOc1ccccc1C[NH2+]CCOc1ccc(F)cc1F ZINC000237772921 659940711 /nfs/dbraw/zinc/94/07/11/659940711.db2.gz GFPRDHXWZKJJGT-UHFFFAOYSA-N 1 0 317.335 3.145 10 30 DGEERO N#CCOc1ccc(C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000181524743 660006053 /nfs/dbraw/zinc/00/60/53/660006053.db2.gz ZQFLGCRMAIUSPU-UHFFFAOYSA-N 1 0 303.365 3.427 10 30 DGEERO CC[N@H+](CCc1nccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093764515 662359567 /nfs/dbraw/zinc/35/95/67/662359567.db2.gz UFWYJMGANUCRKB-AWEZNQCLSA-N 1 0 315.442 3.499 10 30 DGEERO C(#Cc1ccccc1)C[NH2+]CCCOCCOCc1ccccc1 ZINC000390592616 1176359527 /nfs/dbraw/zinc/35/95/27/1176359527.db2.gz SLKXQSQLKLVKQS-UHFFFAOYSA-N 1 0 323.436 3.251 10 30 DGEERO C[C@H]1C[C@@H](C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC[N@@H+]1C ZINC000329576807 1177023191 /nfs/dbraw/zinc/02/31/91/1177023191.db2.gz OJUVGFUMMSXRDY-AEGPPILISA-N 1 0 315.417 3.449 10 30 DGEERO C=CC[C@H](C)[NH2+]Cc1ccccc1I ZINC000379653999 1197703934 /nfs/dbraw/zinc/70/39/34/1197703934.db2.gz IKKQPTCLBJSBML-JTQLQIEISA-N 1 0 301.171 3.345 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@H](C)[C@H](O)Cc2ccccc2)c1 ZINC000123370108 1200277056 /nfs/dbraw/zinc/27/70/56/1200277056.db2.gz VTGXJJCJRFPURQ-OXQOHEQNSA-N 1 0 311.425 3.333 10 30 DGEERO C=CCN1CCC([NH2+]Cc2ccc(OCC)c(OCC)c2)CC1 ZINC000236938016 1202636100 /nfs/dbraw/zinc/63/61/00/1202636100.db2.gz DHQVLXPARCUWPU-UHFFFAOYSA-N 1 0 318.461 3.224 10 30 DGEERO C=CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCC)C1)c1ccccc1 ZINC000275388777 1202844316 /nfs/dbraw/zinc/84/43/16/1202844316.db2.gz XKDGSMHEOUMMCI-AEFFLSMTSA-N 1 0 300.446 3.194 10 30 DGEERO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000029415318 717119278 /nfs/dbraw/zinc/11/92/78/717119278.db2.gz DFCXKIFRBUYLET-HUUCEWRRSA-O 1 0 319.469 3.280 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1OC ZINC000153758252 1084263263 /nfs/dbraw/zinc/26/32/63/1084263263.db2.gz BGTULCUGMWBEMH-ZACQAIPSSA-N 1 0 317.429 3.307 10 30 DGEERO Cc1nc(C#N)cc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000308274831 1094301243 /nfs/dbraw/zinc/30/12/43/1094301243.db2.gz UXNPGEXMJYFWCS-GOSISDBHSA-N 1 0 321.428 3.123 10 30 DGEERO C#C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)C(C)C ZINC000405339536 1094340893 /nfs/dbraw/zinc/34/08/93/1094340893.db2.gz HHAKBCQJBMANFD-SOUVJXGZSA-N 1 0 306.450 3.070 10 30 DGEERO C=CCOCC[NH2+]Cc1cccc(Cl)c1Br ZINC000719460695 1104924906 /nfs/dbraw/zinc/92/49/06/1104924906.db2.gz JNDMPJHDNYXCJD-UHFFFAOYSA-N 1 0 304.615 3.395 10 30 DGEERO N#Cc1cccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000088755414 185264071 /nfs/dbraw/zinc/26/40/71/185264071.db2.gz XUZPFKUIOSLKGM-OAHLLOKOSA-N 1 0 313.351 3.205 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCSCC1 ZINC000089983317 185274068 /nfs/dbraw/zinc/27/40/68/185274068.db2.gz DWGPAJZSLVVHEZ-CQSZACIVSA-N 1 0 324.515 3.090 10 30 DGEERO CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc(C#N)o3)C2)CC1 ZINC000092587703 185327794 /nfs/dbraw/zinc/32/77/94/185327794.db2.gz XTMYQTOZPNUFQO-INIZCTEOSA-N 1 0 301.434 3.095 10 30 DGEERO CCc1nc(CNC(NC2CCC(CC)CC2)=[NH+]C)cs1 ZINC000085985259 529735615 /nfs/dbraw/zinc/73/56/15/529735615.db2.gz XKEQAKPWAPISDO-UHFFFAOYSA-N 1 0 308.495 3.339 10 30 DGEERO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000181756245 199348058 /nfs/dbraw/zinc/34/80/58/199348058.db2.gz RIPLOLCURJNFRP-AWEZNQCLSA-N 1 0 324.380 3.059 10 30 DGEERO C#CCCCC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000150730232 186060700 /nfs/dbraw/zinc/06/07/00/186060700.db2.gz GUDMMPVDMPPBNZ-UHFFFAOYSA-N 1 0 312.207 3.056 10 30 DGEERO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152496304 186079671 /nfs/dbraw/zinc/07/96/71/186079671.db2.gz VCNUXZFLCCCWOF-UKRRQHHQSA-N 1 0 322.836 3.089 10 30 DGEERO CC(C)(C)[NH2+]C[C@H](O)CON=C1c2ccccc2-c2ccccc21 ZINC000003331412 181006672 /nfs/dbraw/zinc/00/66/72/181006672.db2.gz DSKDPDQUXBBVRD-AWEZNQCLSA-N 1 0 324.424 3.185 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(-n2cncn2)cc1 ZINC000179593403 432064252 /nfs/dbraw/zinc/06/42/52/432064252.db2.gz IZQQGQUUFYQDGL-CYBMUJFWSA-N 1 0 321.359 3.129 10 30 DGEERO C#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000179478398 199042432 /nfs/dbraw/zinc/04/24/32/199042432.db2.gz JMGLJQSTUBZCDK-OALUTQOASA-N 1 0 319.408 3.235 10 30 DGEERO CC1(C)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000170872852 432085413 /nfs/dbraw/zinc/08/54/13/432085413.db2.gz YAIYKDZGMHNLIG-UHFFFAOYSA-N 1 0 317.458 3.311 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189056020 200342216 /nfs/dbraw/zinc/34/22/16/200342216.db2.gz NGCUXZDYELRIPA-JJRVBVJISA-N 1 0 304.409 3.117 10 30 DGEERO COc1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1C#N ZINC000135101165 432097581 /nfs/dbraw/zinc/09/75/81/432097581.db2.gz IUBWSXGMJXHCGJ-GOSISDBHSA-N 1 0 314.429 3.490 10 30 DGEERO CCCCC[N@H+](CCCOC)Cc1cnc2ccc(C#N)cn12 ZINC000180877590 432104699 /nfs/dbraw/zinc/10/46/99/432104699.db2.gz CKXSMQYNYFACET-UHFFFAOYSA-N 1 0 314.433 3.235 10 30 DGEERO C=C(C)COc1cc(C[NH2+]CC2=CCOCC2)ccc1OC ZINC000449401202 240177933 /nfs/dbraw/zinc/17/79/33/240177933.db2.gz FVPBTEXWNIXUPD-UHFFFAOYSA-N 1 0 303.402 3.086 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449497554 240246488 /nfs/dbraw/zinc/24/64/88/240246488.db2.gz ANNSYYZDMDQGAF-HKUYNNGSSA-N 1 0 301.430 3.138 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2C(=O)OC)c1 ZINC000449514561 240261231 /nfs/dbraw/zinc/26/12/31/240261231.db2.gz WNASGGLXXYJUDG-SJORKVTESA-N 1 0 303.402 3.073 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCCc4ccccc43)n2c1 ZINC000123216914 284234430 /nfs/dbraw/zinc/23/44/30/284234430.db2.gz PQWBXRBCSPHFAF-QGZVFWFLSA-N 1 0 316.408 3.416 10 30 DGEERO CC[NH+]1CCN(c2ccccc2NCc2ccc(C#N)cc2)CC1 ZINC000128322096 284371701 /nfs/dbraw/zinc/37/17/01/284371701.db2.gz TXGWKRJOTMCWMF-UHFFFAOYSA-N 1 0 320.440 3.312 10 30 DGEERO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1OC ZINC000135682994 432132496 /nfs/dbraw/zinc/13/24/96/432132496.db2.gz IRCCWRMJZBNWPY-LLVKDONJSA-N 1 0 302.399 3.488 10 30 DGEERO C=CC[NH2+][C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494204153 246120532 /nfs/dbraw/zinc/12/05/32/246120532.db2.gz HTHGBEWAMHVUDG-GDBMZVCRSA-N 1 0 310.800 3.305 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000136227618 284497397 /nfs/dbraw/zinc/49/73/97/284497397.db2.gz QRDWIHUHWVJUPN-UHFFFAOYSA-N 1 0 318.380 3.117 10 30 DGEERO C=CC[N@H+]1CC[C@]23CC(=O)C[C@@H](C)[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000040791387 183133962 /nfs/dbraw/zinc/13/39/62/183133962.db2.gz PZHULVXDBMMNAZ-NWTFUFRBSA-N 1 0 311.425 3.062 10 30 DGEERO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)/C(N)=N/O ZINC000042445143 183271407 /nfs/dbraw/zinc/27/14/07/183271407.db2.gz DHKGOPNQUZIVIV-VIFPVBQESA-N 1 0 304.221 3.198 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)C[C@@H](C)C#N ZINC000043021702 183329452 /nfs/dbraw/zinc/32/94/52/183329452.db2.gz TXCPLUJAQVGLDQ-CQDKDKBSSA-N 1 0 324.266 3.319 10 30 DGEERO N#Cc1cccc(C[NH2+]Cc2ccc(O)c(Br)c2)c1 ZINC000062702707 184247908 /nfs/dbraw/zinc/24/79/08/184247908.db2.gz CMCCRRPEOOZADG-UHFFFAOYSA-N 1 0 317.186 3.316 10 30 DGEERO CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)[C@@H](C)CC#N ZINC000063085422 184269604 /nfs/dbraw/zinc/26/96/04/184269604.db2.gz UVWXHOGTQOYYJK-CQDKDKBSSA-N 1 0 324.266 3.461 10 30 DGEERO Cc1cnc(CC[N@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000157610785 197202062 /nfs/dbraw/zinc/20/20/62/197202062.db2.gz HJBMZYAHQNPSSS-UHFFFAOYSA-N 1 0 315.442 3.267 10 30 DGEERO Cc1cc(C#N)cc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000342792060 254051720 /nfs/dbraw/zinc/05/17/20/254051720.db2.gz SCTOOHGIBFEEQE-IBGZPJMESA-N 1 0 320.440 3.363 10 30 DGEERO Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H](C#N)C3)C2=O)cc1 ZINC000248838092 292133602 /nfs/dbraw/zinc/13/36/02/292133602.db2.gz NHUCPCLYWNKXNN-NUJGCVRESA-N 1 0 311.429 3.162 10 30 DGEERO C=CCOCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000595079779 400100720 /nfs/dbraw/zinc/10/07/20/400100720.db2.gz YPKACKJACNTSHQ-INIZCTEOSA-N 1 0 304.390 3.500 10 30 DGEERO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccnc(C#N)c1 ZINC000586780872 400154831 /nfs/dbraw/zinc/15/48/31/400154831.db2.gz BAILAFYJWQKHCJ-UHFFFAOYSA-N 1 0 309.417 3.309 10 30 DGEERO N#Cc1ccc(C2CCN(CCC[NH+]3CCCCC3)CC2)nc1 ZINC000600841185 400166858 /nfs/dbraw/zinc/16/68/58/400166858.db2.gz NXSNRLSGEXHMLG-UHFFFAOYSA-N 1 0 312.461 3.009 10 30 DGEERO C=CCN(CC=C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000072482437 400382412 /nfs/dbraw/zinc/38/24/12/400382412.db2.gz SPYAMYBPLYFNMU-UHFFFAOYSA-N 1 0 313.445 3.166 10 30 DGEERO C=C(C)[C@@H](CC(=O)N(CC[NH+]1CCCCCC1)C(C)C)OCC ZINC000579747171 400341976 /nfs/dbraw/zinc/34/19/76/400341976.db2.gz CAVYFHWXWODIIT-GOSISDBHSA-N 1 0 324.509 3.471 10 30 DGEERO C=CCCCN(C)C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073846069 400472355 /nfs/dbraw/zinc/47/23/55/400472355.db2.gz FYEHSPFAFZBIHV-UHFFFAOYSA-N 1 0 301.434 3.031 10 30 DGEERO C=CCC(C)(C)C[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602675038 400535994 /nfs/dbraw/zinc/53/59/94/400535994.db2.gz IYAYDPHFDOJHEN-UHFFFAOYSA-N 1 0 307.438 3.067 10 30 DGEERO C=C(C)C[C@H](NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)OC ZINC000602734403 400556840 /nfs/dbraw/zinc/55/68/40/400556840.db2.gz NUACJNUEJJTVEX-SZMVWBNQSA-N 1 0 322.493 3.127 10 30 DGEERO C=CCC[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)C1CC1 ZINC000592394444 400644798 /nfs/dbraw/zinc/64/47/98/400644798.db2.gz OLEJRSGNCBNWIZ-MRXNPFEDSA-N 1 0 323.477 3.459 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C)[nH]c1C)C(C)C ZINC000603287863 400664481 /nfs/dbraw/zinc/66/44/81/400664481.db2.gz LAAORIAIPJNSHP-QGZVFWFLSA-N 1 0 303.450 3.060 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000076733832 400669731 /nfs/dbraw/zinc/66/97/31/400669731.db2.gz MSHJPSRVVZCFSE-HNNXBMFYSA-N 1 0 317.433 3.238 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000154322292 400693146 /nfs/dbraw/zinc/69/31/46/400693146.db2.gz DPJYYEAXNIAOSJ-INIZCTEOSA-N 1 0 315.461 3.298 10 30 DGEERO C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179267747 400877282 /nfs/dbraw/zinc/87/72/82/400877282.db2.gz UGNIPNKVMZPTHC-MSOLQXFVSA-N 1 0 313.445 3.039 10 30 DGEERO C=CC[C@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593620208 400882162 /nfs/dbraw/zinc/88/21/62/400882162.db2.gz FVUPBTPWGQNWTI-NWDGAFQWSA-N 1 0 300.362 3.306 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000605738747 400884700 /nfs/dbraw/zinc/88/47/00/400884700.db2.gz DTAOHSIDQITILB-IBGZPJMESA-N 1 0 300.446 3.460 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCCC(C)(C)C(=O)OCC ZINC000593634704 400884972 /nfs/dbraw/zinc/88/49/72/400884972.db2.gz XJLIUEVAZQVUQQ-OAGGEKHMSA-N 1 0 311.466 3.458 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000080616442 400969132 /nfs/dbraw/zinc/96/91/32/400969132.db2.gz ADIIAWAFGUAKFD-UHFFFAOYSA-N 1 0 323.368 3.195 10 30 DGEERO CC#CC[C@@H]([NH3+])c1cc(Cl)ccc1I ZINC000232555025 400971472 /nfs/dbraw/zinc/97/14/72/400971472.db2.gz XZQRBZLKBAGUKG-LLVKDONJSA-N 1 0 319.573 3.358 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000620302927 401050629 /nfs/dbraw/zinc/05/06/29/401050629.db2.gz CYHHSPYDLNBQHM-GBESFXJTSA-N 1 0 310.441 3.218 10 30 DGEERO C=CC[N@@H+](CCC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063381132 401189456 /nfs/dbraw/zinc/18/94/56/401189456.db2.gz GAJLTCNQAYVIOJ-UHFFFAOYSA-N 1 0 320.389 3.315 10 30 DGEERO C=CCOc1ccc(C(=O)N2CCC(CC)([NH+](C)C)CC2)cc1 ZINC000634121379 401211301 /nfs/dbraw/zinc/21/13/01/401211301.db2.gz VDZYYIBDJAHUJG-UHFFFAOYSA-N 1 0 316.445 3.198 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC000600186605 401214151 /nfs/dbraw/zinc/21/41/51/401214151.db2.gz RXURJNIYKHAJTN-HUUCEWRRSA-N 1 0 303.402 3.025 10 30 DGEERO C=CC[C@@H]1CC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000625703180 401187252 /nfs/dbraw/zinc/18/72/52/401187252.db2.gz RBIGTZJTMDIADG-CZUORRHYSA-N 1 0 302.443 3.388 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000625703790 401188174 /nfs/dbraw/zinc/18/81/74/401188174.db2.gz PDNUGEXUBKSZDB-KPFFTGBYSA-N 1 0 315.457 3.340 10 30 DGEERO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000089652045 401234595 /nfs/dbraw/zinc/23/45/95/401234595.db2.gz KYCUJCGSHAPASR-RDJZCZTQSA-N 1 0 312.804 3.464 10 30 DGEERO C=CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142494 401311498 /nfs/dbraw/zinc/31/14/98/401311498.db2.gz KARLHUBIDWKPCV-CQSZACIVSA-N 1 0 318.417 3.073 10 30 DGEERO C=C(C)[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1CC)c1ccc(F)c(F)c1 ZINC000627016142 401432124 /nfs/dbraw/zinc/43/21/24/401432124.db2.gz HTQPJWCGCSPUBX-ARFHVFGLSA-N 1 0 323.387 3.022 10 30 DGEERO C=C(C)[C@H](NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)c(F)c1 ZINC000627015824 401432215 /nfs/dbraw/zinc/43/22/15/401432215.db2.gz CNTPYRKCVXSKHH-GHJWDPDVSA-N 1 0 323.387 3.022 10 30 DGEERO C=C1CC(C)(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000631240700 401435148 /nfs/dbraw/zinc/43/51/48/401435148.db2.gz MCKXHIUYCMIQAB-UHFFFAOYSA-N 1 0 302.418 3.312 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000627071690 401439558 /nfs/dbraw/zinc/43/95/58/401439558.db2.gz SXKLJAXHCDAVNQ-CRAIPNDOSA-N 1 0 315.461 3.417 10 30 DGEERO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000631294464 401447010 /nfs/dbraw/zinc/44/70/10/401447010.db2.gz LRPIFCZWVWWRFT-IAGOWNOFSA-N 1 0 304.478 3.456 10 30 DGEERO C=CC(C)(C)CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000628316882 401574844 /nfs/dbraw/zinc/57/48/44/401574844.db2.gz MWPQDRJHUVVRTA-KRWDZBQOSA-N 1 0 315.461 3.012 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)ccc1OC ZINC000623753013 401575940 /nfs/dbraw/zinc/57/59/40/401575940.db2.gz PWIHHAZKZDIZNM-FUHWJXTLSA-N 1 0 317.429 3.307 10 30 DGEERO C=CCC[C@H](C)[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631705463 401541413 /nfs/dbraw/zinc/54/14/13/401541413.db2.gz MOUJLYMFHYLQFV-KRWDZBQOSA-N 1 0 302.462 3.352 10 30 DGEERO C=CC[C@@H](CC)NC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633206239 401660356 /nfs/dbraw/zinc/66/03/56/401660356.db2.gz DUHJIEVCAOBHJD-MRXNPFEDSA-N 1 0 307.482 3.391 10 30 DGEERO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)[C@H]1COc2ccccc21 ZINC000185545373 165007742 /nfs/dbraw/zinc/00/77/42/165007742.db2.gz YYIROYKNPLUVDT-RDTXWAMCSA-N 1 0 308.381 3.091 10 30 DGEERO COc1ccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc1C#N ZINC000188872285 165141055 /nfs/dbraw/zinc/14/10/55/165141055.db2.gz YEGZWMDQGYWRJC-QGZVFWFLSA-N 1 0 308.381 3.489 10 30 DGEERO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000182144939 432161387 /nfs/dbraw/zinc/16/13/87/432161387.db2.gz HXRLNDMONYUFEE-CQSZACIVSA-N 1 0 323.396 3.246 10 30 DGEERO Fc1ccc(C#CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246963948 432185316 /nfs/dbraw/zinc/18/53/16/432185316.db2.gz VBDXVRCSYVBSCH-FXAWDEMLSA-N 1 0 312.432 3.126 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C(C)(C)C)CC2)CC1 ZINC000172121937 432198734 /nfs/dbraw/zinc/19/87/34/432198734.db2.gz JXTHSZDAXXSEQZ-UHFFFAOYSA-N 1 0 321.509 3.495 10 30 DGEERO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+](CCCC#N)C1CC1 ZINC000190935701 432203960 /nfs/dbraw/zinc/20/39/60/432203960.db2.gz HPMBMEOKFUNLNQ-OAHLLOKOSA-N 1 0 307.438 3.154 10 30 DGEERO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000180125158 228355525 /nfs/dbraw/zinc/35/55/25/228355525.db2.gz CXNAKRDECKAQOZ-MAUKXSAKSA-N 1 0 324.428 3.147 10 30 DGEERO Cc1cc(C)cc(NC(=[NH2+])NCc2ncc(C(F)(F)F)cn2)c1 ZINC000263173335 228649122 /nfs/dbraw/zinc/64/91/22/228649122.db2.gz SIJUWQPPRLGGFM-UHFFFAOYSA-N 1 0 323.322 3.039 10 30 DGEERO O=C(C[C@H]1CCCCC(=O)N1)NC1CC([NH+]2CCCCC2)C1 ZINC000328866754 228917828 /nfs/dbraw/zinc/91/78/28/228917828.db2.gz ZYACNNWUCFDWSI-WLYUNCDWSA-N 1 0 307.438 3.249 10 30 DGEERO COc1cccc([C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000103462613 269795413 /nfs/dbraw/zinc/79/54/13/269795413.db2.gz YTJKUVDCKLIHFA-INIZCTEOSA-N 1 0 321.424 3.450 10 30 DGEERO C[C@]1(CNc2cnccc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000397912228 267261992 /nfs/dbraw/zinc/26/19/92/267261992.db2.gz IFBTZBNGHXCYQK-LJQANCHMSA-N 1 0 306.413 3.420 10 30 DGEERO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358580461 267323070 /nfs/dbraw/zinc/32/30/70/267323070.db2.gz XVPBEARQWUYYNB-CQSZACIVSA-N 1 0 300.381 3.252 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000343503831 273487097 /nfs/dbraw/zinc/48/70/97/273487097.db2.gz LUCNWHQLBMDUMY-RISCZKNCSA-N 1 0 300.324 3.004 10 30 DGEERO Cc1cc[n+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1 ZINC000160076878 274731114 /nfs/dbraw/zinc/73/11/14/274731114.db2.gz VTNLILYIEBLFKU-HNNXBMFYSA-N 1 0 305.760 3.053 10 30 DGEERO N#Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1C(F)(F)F ZINC000262044323 274920849 /nfs/dbraw/zinc/92/08/49/274920849.db2.gz CFNWYUWUGDBHKR-ZBINZKHDSA-N 1 0 309.335 3.141 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000473817731 275417502 /nfs/dbraw/zinc/41/75/02/275417502.db2.gz AVAGMTAIJOHBMK-PMPSAXMXSA-N 1 0 307.482 3.103 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000449522307 275437673 /nfs/dbraw/zinc/43/76/73/275437673.db2.gz VCXKICCLQZESPT-MAZHCROVSA-N 1 0 322.246 3.240 10 30 DGEERO C=C(Br)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000368065723 275737352 /nfs/dbraw/zinc/73/73/52/275737352.db2.gz UUIRGWWMTKBLQP-KGLIPLIRSA-N 1 0 313.214 3.069 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC12CCC2)C(C)C ZINC000444848483 277848210 /nfs/dbraw/zinc/84/82/10/277848210.db2.gz MUXFVVDNLPIINF-KRWDZBQOSA-N 1 0 319.493 3.413 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000073716804 431377684 /nfs/dbraw/zinc/37/76/84/431377684.db2.gz XZJFQRBLFPZRCY-CHWSQXEVSA-N 1 0 308.372 3.205 10 30 DGEERO N#CCSCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000074990214 431447555 /nfs/dbraw/zinc/44/75/55/431447555.db2.gz ZXRMRVWABXNYKH-AWEZNQCLSA-N 1 0 304.415 3.199 10 30 DGEERO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116288761 431499601 /nfs/dbraw/zinc/49/96/01/431499601.db2.gz CSPGVDZJTGHFJR-INIZCTEOSA-N 1 0 309.369 3.317 10 30 DGEERO C=CCCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000076735602 431561576 /nfs/dbraw/zinc/56/15/76/431561576.db2.gz HAJMLPPJFLXGMP-UHFFFAOYSA-N 1 0 305.378 3.130 10 30 DGEERO C=CC[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000116971678 431540915 /nfs/dbraw/zinc/54/09/15/431540915.db2.gz XYWOFLQHBVSDTD-HNNXBMFYSA-N 1 0 301.434 3.046 10 30 DGEERO C=CCCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000076940173 431565661 /nfs/dbraw/zinc/56/56/61/431565661.db2.gz QPQRZRDZXQVFDG-UHFFFAOYSA-N 1 0 315.461 3.390 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000078691277 431696785 /nfs/dbraw/zinc/69/67/85/431696785.db2.gz LGJHRCJLIYIEBI-KBPBESRZSA-N 1 0 322.424 3.298 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000121077039 431745365 /nfs/dbraw/zinc/74/53/65/431745365.db2.gz MDQBDRCLLOQAKR-UPTPFMHGSA-N 1 0 305.466 3.204 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000121134423 431746441 /nfs/dbraw/zinc/74/64/41/431746441.db2.gz HKBDAQWHFUTGGA-ISOUWHGUSA-N 1 0 304.478 3.358 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)n2c1 ZINC000123252436 431859482 /nfs/dbraw/zinc/85/94/82/431859482.db2.gz HIJJSYDZZHGKSG-CHWSQXEVSA-N 1 0 322.334 3.417 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000092810362 431912007 /nfs/dbraw/zinc/91/20/07/431912007.db2.gz AGFQUVXTBZVYLR-HNNXBMFYSA-N 1 0 324.428 3.091 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093690986 431917440 /nfs/dbraw/zinc/91/74/40/431917440.db2.gz CDNHPFREVVLPPQ-BEFAXECRSA-N 1 0 323.396 3.026 10 30 DGEERO CCc1ccc(CC[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000123825894 431875501 /nfs/dbraw/zinc/87/55/01/431875501.db2.gz XJAFAHOFLNVURR-UHFFFAOYSA-N 1 0 304.397 3.101 10 30 DGEERO CC[N@H+](Cc1ccc(C(=O)NC2(C#N)CCCC2)cc1)C(C)C ZINC000101642208 431987186 /nfs/dbraw/zinc/98/71/86/431987186.db2.gz XEZAZMYALZMBKN-UHFFFAOYSA-N 1 0 313.445 3.483 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000151770288 432274734 /nfs/dbraw/zinc/27/47/34/432274734.db2.gz KVANLDNIZRZRPD-CQSZACIVSA-N 1 0 324.380 3.059 10 30 DGEERO Cc1ccncc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183185985 432266630 /nfs/dbraw/zinc/26/66/30/432266630.db2.gz IHQSALNFXFUYJY-UHFFFAOYSA-N 1 0 306.413 3.338 10 30 DGEERO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000191964318 432317770 /nfs/dbraw/zinc/31/77/70/432317770.db2.gz KAEJUOXVNQHKIX-IEBWSBKVSA-N 1 0 312.457 3.055 10 30 DGEERO CCCCN(C)C(=O)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191951738 432317793 /nfs/dbraw/zinc/31/77/93/432317793.db2.gz HAOHFFZNTBDRFA-UHFFFAOYSA-N 1 0 312.457 3.009 10 30 DGEERO CC[NH+](CC)Cc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000192624199 432394995 /nfs/dbraw/zinc/39/49/95/432394995.db2.gz RMAUPAHWSWFHJJ-UHFFFAOYSA-N 1 0 308.385 3.047 10 30 DGEERO CCc1cccc(CC)c1NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249947105 432362074 /nfs/dbraw/zinc/36/20/74/432362074.db2.gz UQUAVHZHLQPREY-ARFHVFGLSA-N 1 0 301.434 3.106 10 30 DGEERO C=CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000175591344 432451400 /nfs/dbraw/zinc/45/14/00/432451400.db2.gz ZNLIBEYENNAQIW-ZBFHGGJFSA-N 1 0 317.433 3.198 10 30 DGEERO C=CCOCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000272529274 432518195 /nfs/dbraw/zinc/51/81/95/432518195.db2.gz JBGGWXCDNAMGEF-ZDUSSCGKSA-N 1 0 312.207 3.065 10 30 DGEERO C[NH+]=C(NCc1cc(Br)cs1)N[C@@H](C)C(C)C ZINC000263242430 432528131 /nfs/dbraw/zinc/52/81/31/432528131.db2.gz LQUNGAPTAXKMAX-VIFPVBQESA-N 1 0 318.284 3.220 10 30 DGEERO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2nnc3ccccn32)cc1 ZINC000263271752 432530400 /nfs/dbraw/zinc/53/04/00/432530400.db2.gz XDJMSWYPASOFEC-CYBMUJFWSA-N 1 0 322.416 3.170 10 30 DGEERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186218191 432570197 /nfs/dbraw/zinc/57/01/97/432570197.db2.gz RRUYXIWRXCLZGJ-SFHVURJKSA-N 1 0 308.429 3.463 10 30 DGEERO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCCO1 ZINC000156230847 432591282 /nfs/dbraw/zinc/59/12/82/432591282.db2.gz MVICZJRQGQLIPP-HNNXBMFYSA-N 1 0 313.319 3.048 10 30 DGEERO Cc1ccc(C#N)cc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186705367 432624600 /nfs/dbraw/zinc/62/46/00/432624600.db2.gz UTDKSJMGIZOJEL-OAHLLOKOSA-N 1 0 314.433 3.253 10 30 DGEERO CCOCC[N@@H+]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1CC ZINC000187682388 432675622 /nfs/dbraw/zinc/67/56/22/432675622.db2.gz IMOYDXHVQMQJGL-QFBILLFUSA-N 1 0 315.461 3.052 10 30 DGEERO C=CCOc1ccc(CNC[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000236680007 432757000 /nfs/dbraw/zinc/75/70/00/432757000.db2.gz MOLHHSIDXAAINY-IBGZPJMESA-N 1 0 302.462 3.461 10 30 DGEERO CCSc1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)ccn1 ZINC000189594335 432802431 /nfs/dbraw/zinc/80/24/31/432802431.db2.gz VIOBKWQZAYXZIL-UHFFFAOYSA-N 1 0 323.425 3.003 10 30 DGEERO Cc1nn(C)c(C)c1[C@@H](C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000330048817 432890743 /nfs/dbraw/zinc/89/07/43/432890743.db2.gz IVWTUPYJALKSMY-UWTIGNOOSA-N 1 0 318.465 3.114 10 30 DGEERO CC[C@@H](C)n1ncc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1C ZINC000330107718 432893305 /nfs/dbraw/zinc/89/33/05/432893305.db2.gz MNJKZUIHWIAZCC-IUDNXUCKSA-N 1 0 318.465 3.484 10 30 DGEERO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245690491 432856912 /nfs/dbraw/zinc/85/69/12/432856912.db2.gz XCKQUONYEJDWKU-QZTJIDSGSA-N 1 0 320.396 3.125 10 30 DGEERO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000330223168 432898539 /nfs/dbraw/zinc/89/85/39/432898539.db2.gz MYLCSPKGVVIWEJ-LXZKKBNFSA-N 1 0 302.418 3.437 10 30 DGEERO Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000330240497 432899847 /nfs/dbraw/zinc/89/98/47/432899847.db2.gz FFYPBSYFYKRZBO-RRQGHBQHSA-N 1 0 302.418 3.437 10 30 DGEERO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1C ZINC000330267024 432900378 /nfs/dbraw/zinc/90/03/78/432900378.db2.gz QFURUEORXBLTSE-IAOVAPTHSA-N 1 0 302.418 3.437 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453357949 433116602 /nfs/dbraw/zinc/11/66/02/433116602.db2.gz MWTIYKRRDQVUIV-KFWWJZLASA-N 1 0 312.335 3.411 10 30 DGEERO COc1cc(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)ccc1C#N ZINC000374219671 433180081 /nfs/dbraw/zinc/18/00/81/433180081.db2.gz XWYCSQCTMBOJTK-GOSISDBHSA-N 1 0 308.381 3.006 10 30 DGEERO C=CCCCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000448139842 433364578 /nfs/dbraw/zinc/36/45/78/433364578.db2.gz QHLZBVJKRLAGRX-HNNXBMFYSA-N 1 0 303.450 3.381 10 30 DGEERO C=CCCCNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000447965554 433333022 /nfs/dbraw/zinc/33/30/22/433333022.db2.gz PQPZDBFTLSPVDI-INIZCTEOSA-N 1 0 303.450 3.162 10 30 DGEERO C#CCCC[N@@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000362430731 433707618 /nfs/dbraw/zinc/70/76/18/433707618.db2.gz RNYQJBCKAVYAQJ-UHFFFAOYSA-N 1 0 314.477 3.188 10 30 DGEERO Cc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)c(C#N)c(C)n1 ZINC000301848679 433758632 /nfs/dbraw/zinc/75/86/32/433758632.db2.gz ABXUYWARLIXSKO-UHFFFAOYSA-N 1 0 312.392 3.383 10 30 DGEERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)c1cccc(C#N)n1 ZINC000301871659 433769178 /nfs/dbraw/zinc/76/91/78/433769178.db2.gz WWLPKWCOJNLTNV-QFBILLFUSA-N 1 0 320.440 3.300 10 30 DGEERO CCc1nnc(NC[C@H]2CCC[N@@H+]2CC(C)C)c(C#N)c1CC ZINC000301787626 433723078 /nfs/dbraw/zinc/72/30/78/433723078.db2.gz XHFUQDINLNJYAA-CQSZACIVSA-N 1 0 315.465 3.005 10 30 DGEERO Cc1ccc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1C#N ZINC000302597482 433828381 /nfs/dbraw/zinc/82/83/81/433828381.db2.gz BMZWOAOXFXXIHE-IRXDYDNUSA-N 1 0 312.461 3.353 10 30 DGEERO CC#CCCCC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000376953411 433842279 /nfs/dbraw/zinc/84/22/79/433842279.db2.gz FNTHFGFABZPXDJ-SFHVURJKSA-N 1 0 312.457 3.303 10 30 DGEERO C=CCC1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CCCC1 ZINC000449878486 433848453 /nfs/dbraw/zinc/84/84/53/433848453.db2.gz BDJMUEQNYWGSKM-UHFFFAOYSA-N 1 0 304.478 3.457 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000294012354 433964820 /nfs/dbraw/zinc/96/48/20/433964820.db2.gz DIJKTYLODIYQSA-PSASIEDQSA-N 1 0 302.237 3.025 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437103964 434216475 /nfs/dbraw/zinc/21/64/75/434216475.db2.gz CJEQYCJZAKBXHA-KBPBESRZSA-N 1 0 302.397 3.156 10 30 DGEERO C=CCCC[NH2+]Cc1cccc(I)c1 ZINC000379506683 434260818 /nfs/dbraw/zinc/26/08/18/434260818.db2.gz XYRINNFZRSCZTR-UHFFFAOYSA-N 1 0 301.171 3.347 10 30 DGEERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccsc2)[C@@H]1c1cccnc1 ZINC000328630483 434290493 /nfs/dbraw/zinc/29/04/93/434290493.db2.gz PYDIVWPYWLCYHE-ZFWWWQNUSA-N 1 0 301.415 3.141 10 30 DGEERO CC(=O)Nc1ccn([C@@H]2CCN(Cc3nc(C)c(C)s3)C2)n1 ZINC000328622903 434291993 /nfs/dbraw/zinc/29/19/93/434291993.db2.gz ITEIKBLOCDPMHT-CYBMUJFWSA-N 1 0 319.434 3.011 10 30 DGEERO C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)[C@H]1C ZINC000328904201 434325818 /nfs/dbraw/zinc/32/58/18/434325818.db2.gz IZBXZBKEXJBKSU-XRHVGZCVSA-N 1 0 321.465 3.255 10 30 DGEERO CC(C)C[NH+]1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358558722 434396955 /nfs/dbraw/zinc/39/69/55/434396955.db2.gz DAMASSPLCQMYQE-CQSZACIVSA-N 1 0 303.425 3.468 10 30 DGEERO C[C@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571696 434398370 /nfs/dbraw/zinc/39/83/70/434398370.db2.gz PITFLNSDIJAIRP-ILXRZTDVSA-N 1 0 303.425 3.468 10 30 DGEERO C[C@@H](NCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358576262 434399358 /nfs/dbraw/zinc/39/93/58/434399358.db2.gz TWCMKEFTQKVVQL-OAHLLOKOSA-N 1 0 303.425 3.470 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438164413 434426780 /nfs/dbraw/zinc/42/67/80/434426780.db2.gz XVYLWJNSTOXKKT-QGZVFWFLSA-N 1 0 307.482 3.391 10 30 DGEERO C=C(C)CN1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000438197108 434433695 /nfs/dbraw/zinc/43/36/95/434433695.db2.gz BZHOFBMNCJAGSJ-UHFFFAOYSA-N 1 0 302.462 3.476 10 30 DGEERO C#CCCCCC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000367376054 434549118 /nfs/dbraw/zinc/54/91/18/434549118.db2.gz AMOBMQABGLQAMM-SFHVURJKSA-N 1 0 312.457 3.303 10 30 DGEERO C=C(C)CN(Cc1ccccc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418341266 434632127 /nfs/dbraw/zinc/63/21/27/434632127.db2.gz HDFRAEYNMLSFCX-QGZVFWFLSA-N 1 0 315.461 3.164 10 30 DGEERO C=C(C)CN(CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000371062177 434636164 /nfs/dbraw/zinc/63/61/64/434636164.db2.gz AUNNQHAZQYTWRP-IAGOWNOFSA-N 1 0 319.424 3.179 10 30 DGEERO N#Cc1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c(Cl)c1 ZINC000439425161 434601534 /nfs/dbraw/zinc/60/15/34/434601534.db2.gz TZTKHZYCXHURHO-UHFFFAOYSA-N 1 0 300.793 3.314 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(F)cc1Br ZINC000424178704 434647353 /nfs/dbraw/zinc/64/73/53/434647353.db2.gz WQFMFFJNAPFXKQ-FZMZJTMJSA-N 1 0 314.198 3.269 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000424177248 434647378 /nfs/dbraw/zinc/64/73/78/434647378.db2.gz SXGVFNDVXCDDDN-WNHJNPCNSA-N 1 0 300.446 3.003 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000424177814 434647574 /nfs/dbraw/zinc/64/75/74/434647574.db2.gz UYBICLYZDXDZBJ-STQMWFEESA-N 1 0 301.308 3.266 10 30 DGEERO C=CCN(CC=C)[C@H](C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C(C)C ZINC000424272730 434671253 /nfs/dbraw/zinc/67/12/53/434671253.db2.gz UXQSGPBQCDQKBE-JAZQRGJZSA-N 1 0 320.521 3.478 10 30 DGEERO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C(C)C ZINC000424272733 434672850 /nfs/dbraw/zinc/67/28/50/434672850.db2.gz UXQSGPBQCDQKBE-YHDCXSKOSA-N 1 0 320.521 3.478 10 30 DGEERO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000453246942 434841019 /nfs/dbraw/zinc/84/10/19/434841019.db2.gz MZCBFLITIUELDD-WBMJQRKESA-N 1 0 316.351 3.091 10 30 DGEERO CC1CC[NH+](Cc2ccccc2CNc2ccncc2C#N)CC1 ZINC000553583062 434896233 /nfs/dbraw/zinc/89/62/33/434896233.db2.gz KCBJNMPWVMIEOZ-UHFFFAOYSA-N 1 0 320.440 3.219 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000567856221 435363128 /nfs/dbraw/zinc/36/31/28/435363128.db2.gz FNEQSGMBGYJDRV-QRTARXTBSA-N 1 0 320.452 3.229 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000568910869 435481800 /nfs/dbraw/zinc/48/18/00/435481800.db2.gz IPKHBRODBLEVLO-KRWDZBQOSA-N 1 0 313.372 3.484 10 30 DGEERO C=CCC[C@@H](CC)[NH2+]C[C@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000570631847 435636738 /nfs/dbraw/zinc/63/67/38/435636738.db2.gz RSXUCMIFKFHGIZ-FUHWJXTLSA-N 1 0 320.452 3.373 10 30 DGEERO C[C@@H]1C[C@H](CCNc2ccncc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000548162446 435675121 /nfs/dbraw/zinc/67/51/21/435675121.db2.gz DUNRVGSTELGRNS-AEFFLSMTSA-N 1 0 320.440 3.088 10 30 DGEERO CSc1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000172339094 312746326 /nfs/dbraw/zinc/74/63/26/312746326.db2.gz UFSVFABMMZFGFZ-UHFFFAOYSA-N 1 0 308.410 3.218 10 30 DGEERO CCS[C@@H]1CCC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000176983566 312778234 /nfs/dbraw/zinc/77/82/34/312778234.db2.gz CIMTYCQKUHJQIU-GOEBONIOSA-N 1 0 314.458 3.360 10 30 DGEERO CC1(C[NH2+]Cc2cnc3ccc(C#N)cn23)Cc2ccccc2C1 ZINC000179433035 312805790 /nfs/dbraw/zinc/80/57/90/312805790.db2.gz HVZCBZRRUXYNMY-UHFFFAOYSA-N 1 0 316.408 3.101 10 30 DGEERO N#Cc1ccc(OCC[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000193008490 323460995 /nfs/dbraw/zinc/46/09/95/323460995.db2.gz NOXNFHCGFOGPNS-LJQANCHMSA-N 1 0 307.397 3.474 10 30 DGEERO C=CCOc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000565363839 333399773 /nfs/dbraw/zinc/39/97/73/333399773.db2.gz VJOPNNIUGMPCGB-RTBURBONSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCC1(CNC(=O)NCc2ccc3c[nH+]cn3c2)CCCC1 ZINC000571023682 333481983 /nfs/dbraw/zinc/48/19/83/333481983.db2.gz CAIXCFDXQYSFKN-UHFFFAOYSA-N 1 0 312.417 3.270 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000520710154 336033193 /nfs/dbraw/zinc/03/31/93/336033193.db2.gz LEGIVKGMHNCJDS-MRXNPFEDSA-N 1 0 307.482 3.247 10 30 DGEERO CC[NH+]=C(NCC(C)(C)c1cccs1)N[C@@H]1CCC[C@@H]1C#N ZINC000262451245 337618226 /nfs/dbraw/zinc/61/82/26/337618226.db2.gz WAFCJLQJKLVFQZ-ZIAGYGMSSA-N 1 0 318.490 3.273 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000527889536 337771851 /nfs/dbraw/zinc/77/18/51/337771851.db2.gz FMWRYSJBKLCFMV-DTWKUNHWSA-N 1 0 320.177 3.315 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527903486 337769961 /nfs/dbraw/zinc/76/99/61/337769961.db2.gz IMAVRAGPEKAIGM-GMBSWORKSA-N 1 0 311.429 3.471 10 30 DGEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000007018417 340127885 /nfs/dbraw/zinc/12/78/85/340127885.db2.gz JLXBPLZDTAZHNW-MLGOLLRUSA-N 1 0 307.825 3.045 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCc1ccc(F)cc1 ZINC000508660539 340249862 /nfs/dbraw/zinc/24/98/62/340249862.db2.gz HKWNXLIDYSJISM-OAHLLOKOSA-N 1 0 306.425 3.113 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000517093969 340463719 /nfs/dbraw/zinc/46/37/19/340463719.db2.gz ZXBVBDULFIAALF-HNNXBMFYSA-N 1 0 301.434 3.364 10 30 DGEERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000302045417 533744597 /nfs/dbraw/zinc/74/45/97/533744597.db2.gz XWSFBHORGGXIBN-AWEZNQCLSA-N 1 0 324.384 3.399 10 30 DGEERO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000183211362 533815054 /nfs/dbraw/zinc/81/50/54/533815054.db2.gz JROXLLBBNAQBLW-SWLSCSKDSA-N 1 0 313.319 3.094 10 30 DGEERO C=CCC[C@H](O)C[N@@H+](CCCOC)Cc1ccc(F)cc1F ZINC000036099722 518723945 /nfs/dbraw/zinc/72/39/45/518723945.db2.gz UACOBKLYZITDAB-INIZCTEOSA-N 1 0 313.388 3.130 10 30 DGEERO C=CCC(C)(C)CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458808399 534546271 /nfs/dbraw/zinc/54/62/71/534546271.db2.gz IJFABQGOTPFRIZ-UHFFFAOYSA-N 1 0 307.482 3.106 10 30 DGEERO C[NH+]=C(NCCC1=CCCCC1)N(C)Cc1csc(C)n1 ZINC000261773162 526352596 /nfs/dbraw/zinc/35/25/96/526352596.db2.gz PKQXFBOXJYJLOW-UHFFFAOYSA-N 1 0 306.479 3.349 10 30 DGEERO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H](C)c1ccc(C)o1 ZINC000127811094 526388953 /nfs/dbraw/zinc/38/89/53/526388953.db2.gz HVSACDBGXLNMBN-LLVKDONJSA-N 1 0 306.435 3.088 10 30 DGEERO C=C(C)CC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000352400522 526439980 /nfs/dbraw/zinc/43/99/80/526439980.db2.gz DDUDMCIHDXORRK-UHFFFAOYSA-N 1 0 304.253 3.271 10 30 DGEERO C=CCN1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337168552 526514234 /nfs/dbraw/zinc/51/42/34/526514234.db2.gz BRUJZEOTWPABQY-HOTGVXAUSA-N 1 0 304.821 3.168 10 30 DGEERO C=CCN1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337168554 526514419 /nfs/dbraw/zinc/51/44/19/526514419.db2.gz BRUJZEOTWPABQY-JKSUJKDBSA-N 1 0 304.821 3.168 10 30 DGEERO C=C(C)COc1cc(C[NH2+]CC[C@@H]2CCOC2)ccc1OC ZINC000344300168 526661880 /nfs/dbraw/zinc/66/18/80/526661880.db2.gz RGGSLBINXCGUBE-OAHLLOKOSA-N 1 0 305.418 3.166 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000185307356 526693537 /nfs/dbraw/zinc/69/35/37/526693537.db2.gz FHRNNMGSXILPBC-OAHLLOKOSA-N 1 0 306.425 3.318 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000185468152 526700059 /nfs/dbraw/zinc/70/00/59/526700059.db2.gz XUBSSABJDIAQRC-IEBWSBKVSA-N 1 0 314.473 3.270 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000185307344 526706361 /nfs/dbraw/zinc/70/63/61/526706361.db2.gz FHRNNMGSXILPBC-HNNXBMFYSA-N 1 0 306.425 3.318 10 30 DGEERO C=CCOc1ccc(CNC2CC[NH+](C3CCC3)CC2)cc1 ZINC000340434618 526884583 /nfs/dbraw/zinc/88/45/83/526884583.db2.gz OIXWUSGZOUXTRH-UHFFFAOYSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000434790352 526885591 /nfs/dbraw/zinc/88/55/91/526885591.db2.gz TWYNALLDBCTGPA-SFHVURJKSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000344363564 526889241 /nfs/dbraw/zinc/88/92/41/526889241.db2.gz DMEWYJVFVZHBDH-SFHVURJKSA-N 1 0 301.361 3.214 10 30 DGEERO C=CCOc1cccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000358465226 526914866 /nfs/dbraw/zinc/91/48/66/526914866.db2.gz VUMUKTGEYAWTJT-UHFFFAOYSA-N 1 0 315.417 3.025 10 30 DGEERO C=CCOc1cccc(NC(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000056624053 526914886 /nfs/dbraw/zinc/91/48/86/526914886.db2.gz LRHIEASSPKZEQD-CQSZACIVSA-N 1 0 305.422 3.103 10 30 DGEERO C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000155356229 526918010 /nfs/dbraw/zinc/91/80/10/526918010.db2.gz LZFMPKKFRNHISR-COXVUDFISA-N 1 0 300.402 3.111 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000355658716 526934079 /nfs/dbraw/zinc/93/40/79/526934079.db2.gz MBAHSFOYENPPPR-MJGOQNOKSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414563101 526949329 /nfs/dbraw/zinc/94/93/29/526949329.db2.gz UTOBKXNPTWRFPY-KRWDZBQOSA-N 1 0 315.388 3.256 10 30 DGEERO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000432074350 527009888 /nfs/dbraw/zinc/00/98/88/527009888.db2.gz BTOJAUKMQNURQG-IAGOWNOFSA-N 1 0 315.461 3.333 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1Br ZINC000184265135 527101508 /nfs/dbraw/zinc/10/15/08/527101508.db2.gz FZCUWMISETZEEH-NSHDSACASA-N 1 0 304.615 3.129 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000349750904 527102778 /nfs/dbraw/zinc/10/27/78/527102778.db2.gz XSVSONRFXOPWKC-ONGXEEELSA-N 1 0 302.187 3.176 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438164412 527184907 /nfs/dbraw/zinc/18/49/07/527184907.db2.gz XVYLWJNSTOXKKT-KRWDZBQOSA-N 1 0 307.482 3.391 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000339002894 527193538 /nfs/dbraw/zinc/19/35/38/527193538.db2.gz NHBLCSMKDAFUPL-WMLDXEAASA-N 1 0 304.409 3.386 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348269114 527193980 /nfs/dbraw/zinc/19/39/80/527193980.db2.gz DNPPDGDVEXXBPV-CQSZACIVSA-N 1 0 312.417 3.302 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000184276768 527209017 /nfs/dbraw/zinc/20/90/17/527209017.db2.gz HRLDOPQIXOAGGQ-LJQANCHMSA-N 1 0 322.408 3.164 10 30 DGEERO C=C[C@@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000128181518 527417850 /nfs/dbraw/zinc/41/78/50/527417850.db2.gz QXTSJEAPECYBKE-KRWDZBQOSA-N 1 0 312.457 3.433 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000424169460 527497567 /nfs/dbraw/zinc/49/75/67/527497567.db2.gz HSUVTEMAEGHTGM-NHYWBVRUSA-N 1 0 319.355 3.036 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000424178139 527498301 /nfs/dbraw/zinc/49/83/01/527498301.db2.gz VOFPIRFQWODDBJ-YOEHRIQHSA-N 1 0 317.820 3.206 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415671061 527506554 /nfs/dbraw/zinc/50/65/54/527506554.db2.gz JBIKPGIPCPUWOB-IBGZPJMESA-N 1 0 313.445 3.413 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000181485081 528363858 /nfs/dbraw/zinc/36/38/58/528363858.db2.gz FNNDDAHYYKIWDS-OAHLLOKOSA-N 1 0 309.413 3.253 10 30 DGEERO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174838041 528410161 /nfs/dbraw/zinc/41/01/61/528410161.db2.gz FNSYNKGLNJPBJJ-OAHLLOKOSA-N 1 0 307.482 3.189 10 30 DGEERO CC(=O)Nc1ccn([C@H]2CC[N@H+](CCc3cccs3)C2)n1 ZINC000328625560 528748443 /nfs/dbraw/zinc/74/84/43/528748443.db2.gz KWEGZZFUDDRUJH-ZDUSSCGKSA-N 1 0 304.419 3.042 10 30 DGEERO CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000262027084 528815967 /nfs/dbraw/zinc/81/59/67/528815967.db2.gz ZYMYANWSPOMFDM-KSSFIOAISA-N 1 0 321.440 3.177 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000131408454 545956640 /nfs/dbraw/zinc/95/66/40/545956640.db2.gz UZCRADBKFNTZSB-HUUCEWRRSA-N 1 0 304.434 3.063 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000180334195 546144927 /nfs/dbraw/zinc/14/49/27/546144927.db2.gz RXFXIIRBMHBAPH-DOTOQJQBSA-N 1 0 303.450 3.333 10 30 DGEERO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(-n2cncn2)cc1 ZINC000181878426 546162271 /nfs/dbraw/zinc/16/22/71/546162271.db2.gz QDXDECGPFQBEAM-OAHLLOKOSA-N 1 0 320.371 3.109 10 30 DGEERO CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000328769420 546481378 /nfs/dbraw/zinc/48/13/78/546481378.db2.gz ILPDSJYSRLEQMY-XYPHTWIQSA-N 1 0 317.433 3.156 10 30 DGEERO Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000329195622 546483379 /nfs/dbraw/zinc/48/33/79/546483379.db2.gz VLFHJDGPXDVEFU-HUUCEWRRSA-N 1 0 304.438 3.034 10 30 DGEERO C#CCCOc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000733322673 574615296 /nfs/dbraw/zinc/61/52/96/574615296.db2.gz AAFQDQCPRFMFKJ-SFHVURJKSA-N 1 0 323.392 3.018 10 30 DGEERO CN(Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000741249160 574954116 /nfs/dbraw/zinc/95/41/16/574954116.db2.gz CTBNUFJEWXQHHB-CQSZACIVSA-N 1 0 321.852 3.016 10 30 DGEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccccc1SC(C)C ZINC000729812052 575263904 /nfs/dbraw/zinc/26/39/04/575263904.db2.gz KKBVHURKEMHMIL-OAHLLOKOSA-N 1 0 317.454 3.442 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=S)Nc2ccc(F)cc2)CC1 ZINC000729942088 575267565 /nfs/dbraw/zinc/26/75/65/575267565.db2.gz ISGKAFSGWSTUGQ-UHFFFAOYSA-N 1 0 307.438 3.153 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2nc(C(C)C)cs2)CC1 ZINC000730109727 575275120 /nfs/dbraw/zinc/27/51/20/575275120.db2.gz JQFHBWVEUIDSHL-UHFFFAOYSA-N 1 0 308.451 3.038 10 30 DGEERO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154749622 620714529 /nfs/dbraw/zinc/71/45/29/620714529.db2.gz OKHJKYVGEHDJLZ-OAHLLOKOSA-N 1 0 309.413 3.010 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc2ccccc2n1 ZINC000121679185 622171680 /nfs/dbraw/zinc/17/16/80/622171680.db2.gz WAHOGLRGEXRJPS-OAHLLOKOSA-N 1 0 310.397 3.125 10 30 DGEERO C=C[C@@](C)(CCOC)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187594271 655552124 /nfs/dbraw/zinc/55/21/24/655552124.db2.gz HRNYCDDIPPUNMZ-MJGOQNOKSA-N 1 0 317.429 3.033 10 30 DGEERO CCOc1ccc(O)c(/C=N\CCCc2c(C)nn(C)c2C)c1 ZINC000255067052 655589518 /nfs/dbraw/zinc/58/95/18/655589518.db2.gz HGJJLLNDJQJHRC-UNOMPAQXSA-N 1 0 315.417 3.193 10 30 DGEERO C[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC(F)(F)F ZINC000724055873 655739445 /nfs/dbraw/zinc/73/94/45/655739445.db2.gz BSLCTKYOJVKIRO-BQBZGAKWSA-N 1 0 317.220 3.113 10 30 DGEERO C[N@H+](CCCOC(=O)c1cccc(CC#N)c1)Cc1ccccc1 ZINC000177196685 655916971 /nfs/dbraw/zinc/91/69/71/655916971.db2.gz WNBIBGNMIFJOHZ-UHFFFAOYSA-N 1 0 322.408 3.432 10 30 DGEERO CCC1([NH3+])CCN(c2ccc(Br)cc2C#N)CC1 ZINC000714752801 661203212 /nfs/dbraw/zinc/20/32/12/661203212.db2.gz POKLMRIQVFAOQW-UHFFFAOYSA-N 1 0 308.223 3.028 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)cc1 ZINC000715924008 661216022 /nfs/dbraw/zinc/21/60/22/661216022.db2.gz ZEAMIEVQKIEXAH-HNNXBMFYSA-N 1 0 305.418 3.130 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](O)c2ccc(Cl)cc2)c1 ZINC000303877470 657570079 /nfs/dbraw/zinc/57/00/79/657570079.db2.gz FHLUMVWJHLVSBV-HNNXBMFYSA-N 1 0 303.793 3.109 10 30 DGEERO C[C@@H](CNC(=[NH2+])NC1CCCCC1)Oc1ccccc1Cl ZINC000304449797 657634950 /nfs/dbraw/zinc/63/49/50/657634950.db2.gz MZLVCNINEKZKGH-LBPRGKRZSA-N 1 0 309.841 3.344 10 30 DGEERO CCc1nc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)cs1 ZINC000304744324 657646188 /nfs/dbraw/zinc/64/61/88/657646188.db2.gz DOPUEOKZRGQOCA-UHFFFAOYSA-N 1 0 318.446 3.420 10 30 DGEERO CC1CCN(C(=[NH2+])NCCc2nc(C(C)(C)C)cs2)CC1 ZINC000304764100 657649867 /nfs/dbraw/zinc/64/98/67/657649867.db2.gz XPGKTJWVFGGRNJ-UHFFFAOYSA-N 1 0 308.495 3.030 10 30 DGEERO CC(C)(CNC(=[NH2+])NCCc1cccs1)c1cccs1 ZINC000304761800 657650473 /nfs/dbraw/zinc/65/04/73/657650473.db2.gz UWTBRYLWASIUTJ-UHFFFAOYSA-N 1 0 307.488 3.234 10 30 DGEERO CCc1cnc(CCNC(=[NH2+])Nc2ccc(C)c(C)c2)s1 ZINC000304812709 657654757 /nfs/dbraw/zinc/65/47/57/657654757.db2.gz YHHRPYUKOKJKIR-UHFFFAOYSA-N 1 0 302.447 3.292 10 30 DGEERO CO[C@@H](C)c1nc(CNC(=[NH2+])Nc2cccc(C)c2)cs1 ZINC000262822025 658042728 /nfs/dbraw/zinc/04/27/28/658042728.db2.gz PVEHEZMLDVFXQR-NSHDSACASA-N 1 0 304.419 3.086 10 30 DGEERO CC1(C)CC(NC(=S)Nc2ccccc2C#N)CC(C)(C)[NH2+]1 ZINC000044051626 658852336 /nfs/dbraw/zinc/85/23/36/658852336.db2.gz KLHQUBSZNXZBSQ-UHFFFAOYSA-N 1 0 316.474 3.154 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C[C@@H](C)c1c(C)noc1C ZINC000155860259 658853393 /nfs/dbraw/zinc/85/33/93/658853393.db2.gz QZKMXUOVPNIANO-ZIAGYGMSSA-N 1 0 320.433 3.062 10 30 DGEERO CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000230974029 659361854 /nfs/dbraw/zinc/36/18/54/659361854.db2.gz IOLQSCPJTABZNX-KGLIPLIRSA-N 1 0 309.454 3.304 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(N2CCCC2=O)cc1 ZINC000174308866 659428841 /nfs/dbraw/zinc/42/88/41/659428841.db2.gz BMLSNKXALXLYJH-ZDUSSCGKSA-N 1 0 309.369 3.129 10 30 DGEERO CCOc1ccc(OCC)c(NC(=[NH2+])NCC2(C)CCC2)c1 ZINC000175671497 659927236 /nfs/dbraw/zinc/92/72/36/659927236.db2.gz OVAZYGIANJKHIK-UHFFFAOYSA-N 1 0 305.422 3.401 10 30 DGEERO C#Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000182865238 660086929 /nfs/dbraw/zinc/08/69/29/660086929.db2.gz GVNMVRVTEAGKIT-INIZCTEOSA-N 1 0 321.424 3.310 10 30 DGEERO C#CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C1CCCC1 ZINC000155870294 661853866 /nfs/dbraw/zinc/85/38/66/661853866.db2.gz LPCVEVWTGUYBMK-HNNXBMFYSA-N 1 0 316.420 3.223 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000075734942 661945342 /nfs/dbraw/zinc/94/53/42/661945342.db2.gz LZAJNOFTYPFVSS-QGZVFWFLSA-N 1 0 301.361 3.214 10 30 DGEERO C#CC[C@H](COC)[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000716949198 685275943 /nfs/dbraw/zinc/27/59/43/685275943.db2.gz SJQFYTOWHBJPGF-SWLSCSKDSA-N 1 0 310.235 3.008 10 30 DGEERO C#C[C@](C)(CC)[NH2+]Cc1ccc(I)cc1 ZINC000384178270 1177713378 /nfs/dbraw/zinc/71/33/78/1177713378.db2.gz PBJHAWVHUKXMFP-CYBMUJFWSA-N 1 0 313.182 3.183 10 30 DGEERO C=CC[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000119579422 1200090407 /nfs/dbraw/zinc/09/04/07/1200090407.db2.gz JMLAGZWELKGMKF-UHFFFAOYSA-N 1 0 307.397 3.497 10 30 DGEERO C=CC[C@@H](C)[NH2+]Cc1ccc(I)cc1 ZINC000122270242 1200264029 /nfs/dbraw/zinc/26/40/29/1200264029.db2.gz LOKYCCANZSUDBW-SNVBAGLBSA-N 1 0 301.171 3.345 10 30 DGEERO CC[C@H](C)[NH+]1CCN(c2cc(Br)ccc2C#N)CC1 ZINC000123246493 1200275519 /nfs/dbraw/zinc/27/55/19/1200275519.db2.gz KSDDVZSCIZQSRM-LBPRGKRZSA-N 1 0 322.250 3.241 10 30 DGEERO C[NH+]1CCC(CCNc2cc(Br)ccc2C#N)CC1 ZINC000123427643 1200279223 /nfs/dbraw/zinc/27/92/23/1200279223.db2.gz TZVPPAXBESNZMS-UHFFFAOYSA-N 1 0 322.250 3.465 10 30 DGEERO CC[C@@H](C)[N@H+](C)CCNc1cc(Br)ccc1C#N ZINC000218082393 1202546980 /nfs/dbraw/zinc/54/69/80/1202546980.db2.gz KNBYQUDIXGKIMN-LLVKDONJSA-N 1 0 310.239 3.463 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000173931170 1203888226 /nfs/dbraw/zinc/88/82/26/1203888226.db2.gz GOXMKWXNRQGBSI-ZDUSSCGKSA-N 1 0 310.353 3.017 10 30 DGEERO Fc1cccc(F)c1C[NH2+]CCOC(F)(F)C(F)(F)F ZINC000720259975 1090772005 /nfs/dbraw/zinc/77/20/05/1090772005.db2.gz LNEIVUDJUUJVOD-UHFFFAOYSA-N 1 0 305.193 3.226 10 30 DGEERO C#CC[NH+]1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000315455157 1095108674 /nfs/dbraw/zinc/10/86/74/1095108674.db2.gz NDAZURDBBHKMAH-UHFFFAOYSA-N 1 0 307.319 3.087 10 30 DGEERO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000062014198 432003376 /nfs/dbraw/zinc/00/33/76/432003376.db2.gz BLSJFRAOXCYMRZ-CYBMUJFWSA-N 1 0 307.825 3.095 10 30 DGEERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000062014197 432003384 /nfs/dbraw/zinc/00/33/84/432003384.db2.gz BLSJFRAOXCYMRZ-ZDUSSCGKSA-N 1 0 307.825 3.095 10 30 DGEERO C=C(Br)COc1c(C[C@@H]([NH3+])CC)cccc1OC ZINC000037727822 190665113 /nfs/dbraw/zinc/66/51/13/190665113.db2.gz SRKKWCDJOMPOSG-LBPRGKRZSA-N 1 0 314.223 3.262 10 30 DGEERO C=CCCO[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000066913293 432023958 /nfs/dbraw/zinc/02/39/58/432023958.db2.gz LBQCAERPZONVHI-OAHLLOKOSA-N 1 0 302.418 3.202 10 30 DGEERO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000177854237 186194081 /nfs/dbraw/zinc/19/40/81/186194081.db2.gz YQRIVVFENDNOLO-HZPDHXFCSA-N 1 0 300.446 3.482 10 30 DGEERO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)o1 ZINC000174390925 198328718 /nfs/dbraw/zinc/32/87/18/198328718.db2.gz YSXUYFXGEDVTGM-UHFFFAOYSA-N 1 0 300.333 3.086 10 30 DGEERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1C ZINC000174528248 198347994 /nfs/dbraw/zinc/34/79/94/198347994.db2.gz PKFXZNCHHWHNAY-SMDDNHRTSA-N 1 0 320.824 3.158 10 30 DGEERO Cc1nc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1C#N ZINC000073689718 191341195 /nfs/dbraw/zinc/34/11/95/191341195.db2.gz LASGWQMAEVCDFU-UHFFFAOYSA-N 1 0 320.396 3.110 10 30 DGEERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000167443941 432065199 /nfs/dbraw/zinc/06/51/99/432065199.db2.gz KEGGWPXFJPINLZ-AWEZNQCLSA-N 1 0 324.384 3.399 10 30 DGEERO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000189049355 200341845 /nfs/dbraw/zinc/34/18/45/200341845.db2.gz YTLBAEAKORFAAA-DLBZAZTESA-N 1 0 304.409 3.261 10 30 DGEERO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1C#N ZINC000135056131 432095980 /nfs/dbraw/zinc/09/59/80/432095980.db2.gz RMASULULRWCCHL-KRWDZBQOSA-N 1 0 324.428 3.254 10 30 DGEERO Cc1cc(C[NH2+]Cc2ccccc2-n2cccn2)ccc1C#N ZINC000443989783 239246903 /nfs/dbraw/zinc/24/69/03/239246903.db2.gz RLVQAODLVXMQDZ-UHFFFAOYSA-N 1 0 302.381 3.342 10 30 DGEERO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)C[C@@H]1CCCCO1 ZINC000135185392 432104038 /nfs/dbraw/zinc/10/40/38/432104038.db2.gz HHBXROQYOPQCJS-KRWDZBQOSA-N 1 0 302.418 3.348 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000449236198 240083638 /nfs/dbraw/zinc/08/36/38/240083638.db2.gz JERZJMFMJDSVAE-NSHDSACASA-N 1 0 318.642 3.438 10 30 DGEERO Cn1cc(C#N)cc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000081012277 283907652 /nfs/dbraw/zinc/90/76/52/283907652.db2.gz QIKSHGYQJZLADI-UHFFFAOYSA-N 1 0 322.412 3.135 10 30 DGEERO C=C(C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459008176 243225848 /nfs/dbraw/zinc/22/58/48/243225848.db2.gz TYFDHXTVHZDEKN-QGZVFWFLSA-N 1 0 307.482 3.250 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCc3sccc3[C@H]2C)CC1 ZINC000264383736 203892204 /nfs/dbraw/zinc/89/22/04/203892204.db2.gz VBNNRJQHFJWNHS-CYBMUJFWSA-N 1 0 319.474 3.027 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000181731408 432144145 /nfs/dbraw/zinc/14/41/45/432144145.db2.gz NQOPAXAUQKZDPP-CYBMUJFWSA-N 1 0 324.380 3.189 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccs2)CC1 ZINC000171553082 432144279 /nfs/dbraw/zinc/14/42/79/432144279.db2.gz BLQSPUCRRANBDT-CYBMUJFWSA-N 1 0 307.463 3.149 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CCC#N ZINC000042952567 183320628 /nfs/dbraw/zinc/32/06/28/183320628.db2.gz DUXPOHFECSPBPT-UONOGXRCSA-N 1 0 310.239 3.073 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CC)CCC#N ZINC000043093260 183336851 /nfs/dbraw/zinc/33/68/51/183336851.db2.gz VANJZUCJJKPXEP-LSDHHAIUSA-N 1 0 324.266 3.463 10 30 DGEERO N#Cc1cccc(O[C@@H](C[NH3+])c2ccccc2Br)c1 ZINC000043094850 183337356 /nfs/dbraw/zinc/33/73/56/183337356.db2.gz IVJKKPJNZLDCMH-HNNXBMFYSA-N 1 0 317.186 3.400 10 30 DGEERO CCn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000284717643 218146838 /nfs/dbraw/zinc/14/68/38/218146838.db2.gz LFASJFRFEMOYDD-SFHVURJKSA-N 1 0 324.428 3.032 10 30 DGEERO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](C)C2)c(C#N)c1C ZINC000248566026 285006247 /nfs/dbraw/zinc/00/62/47/285006247.db2.gz OWIVNJCWOYZEJH-YPMHNXCESA-N 1 0 303.406 3.217 10 30 DGEERO C=CCC[C@H](C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1nccc(C)n1 ZINC000072468076 256545916 /nfs/dbraw/zinc/54/59/16/256545916.db2.gz QBEKYGUIFFHYPU-FGTMMUONSA-N 1 0 313.445 3.397 10 30 DGEERO C=C(C)COc1cccc(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000067320895 400162446 /nfs/dbraw/zinc/16/24/46/400162446.db2.gz DGFYCKRAGXCQBH-INIZCTEOSA-N 1 0 317.433 3.247 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(-n2ccnn2)c1 ZINC000588229445 400203106 /nfs/dbraw/zinc/20/31/06/400203106.db2.gz JQRYWSICHRQYEX-CYBMUJFWSA-N 1 0 321.359 3.129 10 30 DGEERO C=C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617011933 400274720 /nfs/dbraw/zinc/27/47/20/400274720.db2.gz PJCFSUAVDKUBSF-WBVHZDCISA-N 1 0 300.446 3.335 10 30 DGEERO C=C(C)COc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CC)C2)c1 ZINC000589739274 400325128 /nfs/dbraw/zinc/32/51/28/400325128.db2.gz MLDKEUJLLGDBOS-OAHLLOKOSA-N 1 0 317.433 3.105 10 30 DGEERO Cc1ccc([C@@H](C)C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000119693314 400438647 /nfs/dbraw/zinc/43/86/47/400438647.db2.gz HCILSXSEIGSJFO-HNNXBMFYSA-N 1 0 304.397 3.408 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000125792067 400485684 /nfs/dbraw/zinc/48/56/84/400485684.db2.gz SMFXPRRAHNUPCB-SFHVURJKSA-N 1 0 315.461 3.259 10 30 DGEERO C#C[C@H]([NH2+]C)c1cc(Br)c(Br)s1 ZINC000130236024 400535932 /nfs/dbraw/zinc/53/59/32/400535932.db2.gz VSIUOHHNFAZAPM-LURJTMIESA-N 1 0 309.026 3.167 10 30 DGEERO C#C[C@@H]([NH2+]C)c1cc(Br)c(Br)s1 ZINC000130236221 400535968 /nfs/dbraw/zinc/53/59/68/400535968.db2.gz VSIUOHHNFAZAPM-ZCFIWIBFSA-N 1 0 309.026 3.167 10 30 DGEERO C=C(C)C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)OC ZINC000602733562 400557381 /nfs/dbraw/zinc/55/73/81/400557381.db2.gz JDIOGVMFIDGMDE-SZMVWBNQSA-N 1 0 322.493 3.127 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000076946194 400681651 /nfs/dbraw/zinc/68/16/51/400681651.db2.gz UAQLNNQRYNZIKR-SFHVURJKSA-N 1 0 315.461 3.431 10 30 DGEERO C[NH+](C)Cc1cccc([C@@H]2CCc3cc(C(=O)NO)ccc3C2)c1 ZINC000166083532 400754368 /nfs/dbraw/zinc/75/43/68/400754368.db2.gz IVSIETOYCFQVOE-MRXNPFEDSA-N 1 0 324.424 3.140 10 30 DGEERO N#Cc1ccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)c(F)c1 ZINC000619672701 400881875 /nfs/dbraw/zinc/88/18/75/400881875.db2.gz QADOPGQGJPYFJN-CQSZACIVSA-N 1 0 305.356 3.436 10 30 DGEERO C=CCOCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000614246412 400862219 /nfs/dbraw/zinc/86/22/19/400862219.db2.gz MXOHRGAAYNEACJ-UHFFFAOYSA-N 1 0 315.369 3.025 10 30 DGEERO C=CCCCCCN(C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624782897 400949880 /nfs/dbraw/zinc/94/98/80/400949880.db2.gz CBPQUJHZEMHNBF-KRWDZBQOSA-N 1 0 307.482 3.391 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000605952583 400889362 /nfs/dbraw/zinc/88/93/62/400889362.db2.gz VZZONVPTYZFMHO-KRWDZBQOSA-N 1 0 309.498 3.495 10 30 DGEERO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC1(O)CCC1 ZINC000625045854 401016682 /nfs/dbraw/zinc/01/66/82/401016682.db2.gz PRVSZZUSPGQXBH-LBPRGKRZSA-N 1 0 315.866 3.056 10 30 DGEERO CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428385 401063748 /nfs/dbraw/zinc/06/37/48/401063748.db2.gz YOXBOEBKMVHYQD-LBPRGKRZSA-N 1 0 313.854 3.161 10 30 DGEERO C=CCCC(C)(C)CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000633966509 401169137 /nfs/dbraw/zinc/16/91/37/401169137.db2.gz NPMNMKBGOFLMGQ-INIZCTEOSA-N 1 0 324.534 3.313 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000625703562 401188409 /nfs/dbraw/zinc/18/84/09/401188409.db2.gz NATHSESMLMVROI-LBPRGKRZSA-N 1 0 320.234 3.495 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595011053 401231401 /nfs/dbraw/zinc/23/14/01/401231401.db2.gz GSBLVSGHRRGXMD-ZIAGYGMSSA-N 1 0 317.389 3.258 10 30 DGEERO C=C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCC ZINC000626067075 401293523 /nfs/dbraw/zinc/29/35/23/401293523.db2.gz YZZAJZSOIZHAJD-KBAYOESNSA-N 1 0 300.446 3.225 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCOc1ccc(C)cc1 ZINC000623051260 401458839 /nfs/dbraw/zinc/45/88/39/401458839.db2.gz RILFKSVEAAZTOK-QGZVFWFLSA-N 1 0 318.461 3.119 10 30 DGEERO C=C(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627622010 401478383 /nfs/dbraw/zinc/47/83/83/401478383.db2.gz RPQUUVYCQUEUHB-RBUKOAKNSA-N 1 0 312.457 3.227 10 30 DGEERO C=CC(C)(C)CCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000623409271 401510464 /nfs/dbraw/zinc/51/04/64/401510464.db2.gz WPOWEEKZCQTHJK-CQSZACIVSA-N 1 0 309.479 3.252 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000623494153 401531641 /nfs/dbraw/zinc/53/16/41/401531641.db2.gz DMNAVERQGGIQIB-CVEARBPZSA-N 1 0 307.482 3.105 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)COCC)cc1OC ZINC000623496906 401532429 /nfs/dbraw/zinc/53/24/29/401532429.db2.gz PQIICCRBKZNVAB-LBPRGKRZSA-N 1 0 313.825 3.428 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000628142982 401532790 /nfs/dbraw/zinc/53/27/90/401532790.db2.gz XLPSRXWLJHJBGY-HCXYKTFWSA-N 1 0 310.441 3.041 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000623814456 401582306 /nfs/dbraw/zinc/58/23/06/401582306.db2.gz GDICWDSLFGUJQU-KBAYOESNSA-N 1 0 313.445 3.039 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000623592682 401552407 /nfs/dbraw/zinc/55/24/07/401552407.db2.gz XKVSJYHQJURPOM-UHFFFAOYSA-N 1 0 313.401 3.497 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000623599629 401553436 /nfs/dbraw/zinc/55/34/36/401553436.db2.gz NCPROJABYSBRLO-KRWDZBQOSA-N 1 0 307.482 3.250 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000623630254 401559203 /nfs/dbraw/zinc/55/92/03/401559203.db2.gz ABLZFPIGMUMTBM-RHSMWYFYSA-N 1 0 319.424 3.036 10 30 DGEERO C=CCCC(C)(C)CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000632951950 401641378 /nfs/dbraw/zinc/64/13/78/401641378.db2.gz UCXLSKIICFNBGZ-UHFFFAOYSA-N 1 0 305.422 3.138 10 30 DGEERO C=CC(C)(C)CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000624038115 401616863 /nfs/dbraw/zinc/61/68/63/401616863.db2.gz SAXUMZSJIYBBPC-AWEZNQCLSA-N 1 0 324.490 3.190 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624325771 401651706 /nfs/dbraw/zinc/65/17/06/401651706.db2.gz ANCMYFWXCGDDSZ-BBWFWOEESA-N 1 0 307.482 3.152 10 30 DGEERO C=CC(C)(C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000624464828 401662542 /nfs/dbraw/zinc/66/25/42/401662542.db2.gz QZZDEXCLGQLOIL-RDJZCZTQSA-N 1 0 319.493 3.247 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624544322 401669897 /nfs/dbraw/zinc/66/98/97/401669897.db2.gz MLHFAPCXDFGVOU-NVXWUHKLSA-N 1 0 305.466 3.001 10 30 DGEERO C[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1cccc(C#N)c1 ZINC000181919482 164924523 /nfs/dbraw/zinc/92/45/23/164924523.db2.gz XWPXJYCFLHDBKV-DYVFJYSZSA-N 1 0 305.381 3.335 10 30 DGEERO CC1(C)C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000190960559 165222146 /nfs/dbraw/zinc/22/21/46/165222146.db2.gz UMWNXHDFSLCYFX-QGZVFWFLSA-N 1 0 314.429 3.015 10 30 DGEERO CCn1cc(C2CC[NH+](CCOc3cccc(C#N)c3)CC2)cn1 ZINC000195500971 165371641 /nfs/dbraw/zinc/37/16/41/165371641.db2.gz MUOFXTTZGGGOMO-UHFFFAOYSA-N 1 0 324.428 3.033 10 30 DGEERO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000384195406 685170334 /nfs/dbraw/zinc/17/03/34/685170334.db2.gz XUUFSKQJVAHWQU-ABAIWWIYSA-N 1 0 316.228 3.125 10 30 DGEERO C=CCOc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000246668912 432153804 /nfs/dbraw/zinc/15/38/04/432153804.db2.gz LZFMPKKFRNHISR-XKQJLSEDSA-N 1 0 300.402 3.111 10 30 DGEERO C=CCCC[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190508381 432165927 /nfs/dbraw/zinc/16/59/27/432165927.db2.gz HTRAYEWTNVOUOY-INIZCTEOSA-N 1 0 310.482 3.081 10 30 DGEERO N#Cc1ccc(N2CCC[N@@H+](C3CC3)CC2)cc1C(F)(F)F ZINC000171831549 432177512 /nfs/dbraw/zinc/17/75/12/432177512.db2.gz UTEWPQYVQVGARZ-UHFFFAOYSA-N 1 0 309.335 3.252 10 30 DGEERO CC(C)(C#N)CCC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246862760 432173683 /nfs/dbraw/zinc/17/36/83/432173683.db2.gz WCCNFMKLFYMQBZ-BBRMVZONSA-N 1 0 308.372 3.402 10 30 DGEERO C[C@H]1CC[C@H](C)N(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174014061 228286652 /nfs/dbraw/zinc/28/66/52/228286652.db2.gz FDQURPPWXREAPV-KBPBESRZSA-N 1 0 317.458 3.361 10 30 DGEERO N#CC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000179734979 228353512 /nfs/dbraw/zinc/35/35/12/228353512.db2.gz XCRCWCTZPYAEFS-UHFFFAOYSA-N 1 0 307.397 3.396 10 30 DGEERO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000182610849 228369078 /nfs/dbraw/zinc/36/90/78/228369078.db2.gz XUWHXTZBXYTURH-HNNXBMFYSA-N 1 0 315.461 3.397 10 30 DGEERO [NH2+]=C(NCC[C@H]1C[C@@H]2C=C[C@H]1C2)N[C@@H]1CCOc2ccccc21 ZINC000263126210 228648859 /nfs/dbraw/zinc/64/88/59/228648859.db2.gz MMVHVQGONFQYED-WBTNSWJXSA-N 1 0 311.429 3.017 10 30 DGEERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000330242015 228983996 /nfs/dbraw/zinc/98/39/96/228983996.db2.gz FYNJMVBGRQAPRB-TZTCFGBESA-N 1 0 310.344 3.098 10 30 DGEERO C[C@]1(CNc2ccc(C#N)nc2)CCC[N@@H+]1Cc1ccccc1 ZINC000302377810 230228498 /nfs/dbraw/zinc/22/84/98/230228498.db2.gz GBYWTQVCHATEMD-LJQANCHMSA-N 1 0 306.413 3.420 10 30 DGEERO CC(C)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)[NH+]1CCCC1 ZINC000358559171 265885507 /nfs/dbraw/zinc/88/55/07/265885507.db2.gz OXIDIWUCEAMHHM-KBXCAEBGSA-N 1 0 303.425 3.468 10 30 DGEERO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)s1 ZINC000151259744 432233309 /nfs/dbraw/zinc/23/33/09/432233309.db2.gz BQIOOXMWSLVUII-LLVKDONJSA-N 1 0 318.833 3.037 10 30 DGEERO CC#CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000172757900 432234271 /nfs/dbraw/zinc/23/42/71/432234271.db2.gz OIUITUDCTCHGGA-UHFFFAOYSA-N 1 0 308.219 3.068 10 30 DGEERO Cc1cc(C#N)cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000376186400 267304330 /nfs/dbraw/zinc/30/43/30/267304330.db2.gz FZVPKAQUZINXRM-UHFFFAOYSA-N 1 0 324.403 3.477 10 30 DGEERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000191279687 432244327 /nfs/dbraw/zinc/24/43/27/432244327.db2.gz NLAMYFXOEMGNTC-CHWSQXEVSA-N 1 0 311.347 3.291 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000424295948 273487816 /nfs/dbraw/zinc/48/78/16/273487816.db2.gz NVFIJWKFDPWART-QSFXBCCZSA-N 1 0 323.440 3.430 10 30 DGEERO C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1n1ccnc1 ZINC000129437780 274300938 /nfs/dbraw/zinc/30/09/38/274300938.db2.gz UHENEZVIMGOORC-QAPCUYQASA-N 1 0 313.832 3.471 10 30 DGEERO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3sccc3C#N)ccc21 ZINC000456267338 276843829 /nfs/dbraw/zinc/84/38/29/276843829.db2.gz IROOPSVWFPXQNE-OAHLLOKOSA-N 1 0 311.410 3.421 10 30 DGEERO C=CCCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000076738203 431561133 /nfs/dbraw/zinc/56/11/33/431561133.db2.gz MDFIOCOLRPQRKJ-UHFFFAOYSA-N 1 0 305.378 3.130 10 30 DGEERO CCOCC[N@@H+]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000118398149 431603037 /nfs/dbraw/zinc/60/30/37/431603037.db2.gz XZWKDHJEEQEWRX-QFBILLFUSA-N 1 0 315.461 3.052 10 30 DGEERO CCOCC[N@@H+]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000118398151 431604088 /nfs/dbraw/zinc/60/40/88/431604088.db2.gz XZWKDHJEEQEWRX-LPHOPBHVSA-N 1 0 315.461 3.052 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000077544137 431607602 /nfs/dbraw/zinc/60/76/02/431607602.db2.gz QTCQTTOMBOBQBO-INIZCTEOSA-N 1 0 307.413 3.036 10 30 DGEERO CC(C)(C#N)CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121114281 431744859 /nfs/dbraw/zinc/74/48/59/431744859.db2.gz WCCNFMKLFYMQBZ-XJKSGUPXSA-N 1 0 308.372 3.402 10 30 DGEERO CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@@H]([NH3+])CO ZINC000032789853 431793296 /nfs/dbraw/zinc/79/32/96/431793296.db2.gz AERBNCYCJBRYDG-BZSNNMDCSA-N 1 0 317.514 3.119 10 30 DGEERO CCc1cc[n+](CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000121510387 431799020 /nfs/dbraw/zinc/79/90/20/431799020.db2.gz XFLHLDSDPZZXDJ-UHFFFAOYSA-N 1 0 323.460 3.018 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCc4ccccc43)n2c1 ZINC000123139147 431856460 /nfs/dbraw/zinc/85/64/60/431856460.db2.gz VCUJCPZXOZBBME-GOSISDBHSA-N 1 0 302.381 3.373 10 30 DGEERO CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H]([NH3+])CO ZINC000044431640 431873643 /nfs/dbraw/zinc/87/36/43/431873643.db2.gz AERBNCYCJBRYDG-FGTMMUONSA-N 1 0 317.514 3.119 10 30 in-vitro DGEERO CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1nc(C)cs1 ZINC000123662867 431871266 /nfs/dbraw/zinc/87/12/66/431871266.db2.gz WWDNNRIALRCYON-CQSZACIVSA-N 1 0 311.414 3.212 10 30 DGEERO N#CCCCOc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810781 431912401 /nfs/dbraw/zinc/91/24/01/431912401.db2.gz DFCBHYKNLOBSAB-UHFFFAOYSA-N 1 0 324.428 3.472 10 30 DGEERO C=C(C)COc1cc(C[N@H+](C[C@@H](C)O)C(C)C)ccc1OC ZINC000093145743 431913334 /nfs/dbraw/zinc/91/33/34/431913334.db2.gz XVMYBCVRBXBSIY-OAHLLOKOSA-N 1 0 307.434 3.241 10 30 DGEERO C=CCc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1O ZINC000093644157 431915885 /nfs/dbraw/zinc/91/58/85/431915885.db2.gz DERIMUBUZXWLKP-RHSMWYFYSA-N 1 0 318.461 3.044 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093533533 431916130 /nfs/dbraw/zinc/91/61/30/431916130.db2.gz IEIYJLIDLGBMJK-UHFFFAOYSA-N 1 0 314.389 3.393 10 30 DGEERO C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)CCN1C ZINC000093644149 431916239 /nfs/dbraw/zinc/91/62/39/431916239.db2.gz DDVRKJJYBZJMKZ-SJLPKXTDSA-N 1 0 315.461 3.284 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127710028 431979587 /nfs/dbraw/zinc/97/95/87/431979587.db2.gz AQVNARMFWRGDKT-SJORKVTESA-N 1 0 310.401 3.037 10 30 DGEERO COc1cc(C#N)ccc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128071806 431987588 /nfs/dbraw/zinc/98/75/88/431987588.db2.gz KSGJZOVJEYSEDQ-IRXDYDNUSA-N 1 0 310.401 3.037 10 30 DGEERO C=CC[N@@H+](CCOC)Cc1cccc(OCc2ccccn2)c1 ZINC000191759535 432299048 /nfs/dbraw/zinc/29/90/48/432299048.db2.gz QJZXMPJMZFCHQB-UHFFFAOYSA-N 1 0 312.413 3.295 10 30 DGEERO C(#Cc1ccccc1)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000192064938 432331256 /nfs/dbraw/zinc/33/12/56/432331256.db2.gz KXPSNSJYIGAJKS-OAQYLSRUSA-N 1 0 305.421 3.372 10 30 DGEERO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000192154180 432338620 /nfs/dbraw/zinc/33/86/20/432338620.db2.gz SJRJYVKECWXZGM-MRXNPFEDSA-N 1 0 320.392 3.346 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248637938 432308158 /nfs/dbraw/zinc/30/81/58/432308158.db2.gz VTVNPHWGFHOGTG-XYJFISCASA-N 1 0 315.461 3.011 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248712528 432312392 /nfs/dbraw/zinc/31/23/92/432312392.db2.gz BKYTWFNTZPIRDG-SJLPKXTDSA-N 1 0 315.461 3.115 10 30 DGEERO C#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000252801416 432389136 /nfs/dbraw/zinc/38/91/36/432389136.db2.gz JMGLJQSTUBZCDK-RBUKOAKNSA-N 1 0 319.408 3.235 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000185307560 432488744 /nfs/dbraw/zinc/48/87/44/432488744.db2.gz UCLVALNPBGKIKT-CQSZACIVSA-N 1 0 324.415 3.457 10 30 DGEERO CC#CCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958463 432549208 /nfs/dbraw/zinc/54/92/08/432549208.db2.gz MJVBFJBLMQYOEL-FUHWJXTLSA-N 1 0 318.848 3.395 10 30 DGEERO Cc1nc(-c2ccccc2)sc1C[NH+]=C(N(C)C)N(C)C ZINC000261971545 281805513 /nfs/dbraw/zinc/80/55/13/281805513.db2.gz DKRBHBROFWVVFB-UHFFFAOYSA-N 1 0 302.447 3.098 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000186149163 432561690 /nfs/dbraw/zinc/56/16/90/432561690.db2.gz UCOXUOOMYUVHHC-CQSZACIVSA-N 1 0 304.438 3.081 10 30 DGEERO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000156734198 432605531 /nfs/dbraw/zinc/60/55/31/432605531.db2.gz KIDYFCKNSVMACX-HNNXBMFYSA-N 1 0 305.466 3.230 10 30 DGEERO C[C@H]1C[C@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000177292077 432609137 /nfs/dbraw/zinc/60/91/37/432609137.db2.gz IIQJTAUYKCECTC-WMLDXEAASA-N 1 0 324.390 3.471 10 30 DGEERO COc1ccsc1[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000186217888 432570015 /nfs/dbraw/zinc/57/00/15/432570015.db2.gz LISNTSITPNTWSC-LBPRGKRZSA-N 1 0 302.399 3.358 10 30 DGEERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000176962262 432570686 /nfs/dbraw/zinc/57/06/86/432570686.db2.gz CQOVUBJQWRULSO-UHFFFAOYSA-N 1 0 309.435 3.013 10 30 DGEERO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000186323725 432583283 /nfs/dbraw/zinc/58/32/83/432583283.db2.gz KCXHCZIIOUUTQB-OAHLLOKOSA-N 1 0 317.396 3.298 10 30 DGEERO C=C(C)CN(C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000157487491 432622319 /nfs/dbraw/zinc/62/23/19/432622319.db2.gz UWUQHRPWPLANQJ-LJQANCHMSA-N 1 0 315.461 3.259 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000186707715 432623618 /nfs/dbraw/zinc/62/36/18/432623618.db2.gz GLVXDFAHIINSFH-BXUZGUMPSA-N 1 0 303.431 3.101 10 30 DGEERO C=CCCCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000274619215 432688754 /nfs/dbraw/zinc/68/87/54/432688754.db2.gz WGQSWALIAXAYSJ-UHFFFAOYSA-N 1 0 307.413 3.043 10 30 DGEERO CCc1cc[n+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000188671230 432738546 /nfs/dbraw/zinc/73/85/46/432738546.db2.gz MJCHZVGKUVYPAN-GOSISDBHSA-N 1 0 309.433 3.440 10 30 DGEERO C[N@H+](Cc1cnc2ccc(C#N)cn12)CC1(c2ccccc2)CC1 ZINC000188714919 432742252 /nfs/dbraw/zinc/74/22/52/432742252.db2.gz YNLDSWXHQRYWQX-UHFFFAOYSA-N 1 0 316.408 3.370 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188774632 432745538 /nfs/dbraw/zinc/74/55/38/432745538.db2.gz FVCJGGUEMUTOOB-CQSZACIVSA-N 1 0 320.864 3.417 10 30 DGEERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)o1 ZINC000267265389 432828010 /nfs/dbraw/zinc/82/80/10/432828010.db2.gz LDPSZFNYVUXFAX-HNAYVOBHSA-N 1 0 309.413 3.151 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000161748223 432794924 /nfs/dbraw/zinc/79/49/24/432794924.db2.gz PNLOYVBASHHHOO-HNNXBMFYSA-N 1 0 313.445 3.109 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245941170 432871323 /nfs/dbraw/zinc/87/13/23/432871323.db2.gz AUMOUFDVQMYKIF-RHSMWYFYSA-N 1 0 321.428 3.425 10 30 DGEERO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1C#N ZINC000245653242 432852835 /nfs/dbraw/zinc/85/28/35/432852835.db2.gz NLSCIEPMAGNTCK-UYAOXDASSA-N 1 0 321.424 3.102 10 30 DGEERO Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000330258841 432900726 /nfs/dbraw/zinc/90/07/26/432900726.db2.gz MUKWMIAOWZYDEV-YSVLISHTSA-N 1 0 302.418 3.437 10 30 DGEERO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000330270452 432901080 /nfs/dbraw/zinc/90/10/80/432901080.db2.gz UFDSZQRUQRCKNG-IYVPYFHTSA-N 1 0 320.408 3.389 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCCNC2=O)C1 ZINC000330315916 432903112 /nfs/dbraw/zinc/90/31/12/432903112.db2.gz PUIUQUMQYJCAHP-PBHICJAKSA-N 1 0 309.454 3.068 10 30 DGEERO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000361267510 433072797 /nfs/dbraw/zinc/07/27/97/433072797.db2.gz RVDXMEKMBPABCS-AWEZNQCLSA-N 1 0 312.417 3.302 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425015583 433077098 /nfs/dbraw/zinc/07/70/98/433077098.db2.gz VUEKZTPLQVTSGE-NZSAHSFTSA-N 1 0 312.457 3.322 10 30 DGEERO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453330869 433093805 /nfs/dbraw/zinc/09/38/05/433093805.db2.gz BHQMHYUNMXVHSZ-KYJSFNMBSA-N 1 0 311.429 3.471 10 30 DGEERO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453355474 433115119 /nfs/dbraw/zinc/11/51/19/433115119.db2.gz MHPOHUBBICXNDU-SWLSCSKDSA-N 1 0 314.351 3.395 10 30 DGEERO C=CCC[C@H](CCC)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000446845894 433121149 /nfs/dbraw/zinc/12/11/49/433121149.db2.gz SHQCHCOJMOLAJH-IRXDYDNUSA-N 1 0 304.482 3.422 10 30 DGEERO C=C[C@](C)(CCOC)C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000373689199 433160964 /nfs/dbraw/zinc/16/09/64/433160964.db2.gz ZRLVUHYDVNTTHO-LJQANCHMSA-N 1 0 314.429 3.332 10 30 DGEERO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281162087 433265132 /nfs/dbraw/zinc/26/51/32/433265132.db2.gz BOBUGGDPZZNOGG-XCRHUMRWSA-N 1 0 305.393 3.392 10 30 DGEERO C=C(C)CCNC(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000454279138 433356892 /nfs/dbraw/zinc/35/68/92/433356892.db2.gz XXVGDRUARRLRDO-UHFFFAOYSA-N 1 0 308.451 3.217 10 30 DGEERO N#Cc1ccnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000341939528 433373083 /nfs/dbraw/zinc/37/30/83/433373083.db2.gz ZXXUZHXSMJDNGI-SFHVURJKSA-N 1 0 306.413 3.420 10 30 DGEERO C=CCCCNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000448389832 433403485 /nfs/dbraw/zinc/40/34/85/433403485.db2.gz PMDVZEVTEJILCR-UHFFFAOYSA-N 1 0 303.450 3.162 10 30 DGEERO Cc1cc(C#N)cc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000376395906 433727974 /nfs/dbraw/zinc/72/79/74/433727974.db2.gz PHLAAXMSGDCYBR-SFHVURJKSA-N 1 0 320.440 3.220 10 30 DGEERO Cc1cc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000301797219 433728518 /nfs/dbraw/zinc/72/85/18/433728518.db2.gz UEAHEUZHLTVLNB-HNNXBMFYSA-N 1 0 320.440 3.429 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)ccc1OC ZINC000414562477 433725415 /nfs/dbraw/zinc/72/54/15/433725415.db2.gz CATOAYOVDFTIBB-SJORKVTESA-N 1 0 319.445 3.291 10 30 DGEERO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000285185879 433918670 /nfs/dbraw/zinc/91/86/70/433918670.db2.gz ROKYIGYARQYMMQ-WOJBJXKFSA-N 1 0 320.436 3.040 10 30 DGEERO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000294369685 434103646 /nfs/dbraw/zinc/10/36/46/434103646.db2.gz QUOKQKGLKDWDCH-ZDUSSCGKSA-N 1 0 321.417 3.230 10 30 DGEERO C=CCC[C@@H](CC)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437098158 434214467 /nfs/dbraw/zinc/21/44/67/434214467.db2.gz PRPMVYWKEOONAI-MRXNPFEDSA-N 1 0 302.397 3.300 10 30 DGEERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000379752331 434264842 /nfs/dbraw/zinc/26/48/42/434264842.db2.gz OKYSZZPKUMSENB-AWEZNQCLSA-N 1 0 324.384 3.399 10 30 DGEERO CC(=O)Nc1ccn([C@@H]2CC[N@H+](CCc3cccs3)C2)n1 ZINC000328625557 434292164 /nfs/dbraw/zinc/29/21/64/434292164.db2.gz KWEGZZFUDDRUJH-CYBMUJFWSA-N 1 0 304.419 3.042 10 30 DGEERO Cc1cn2c(n1)[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)CCC2 ZINC000328645071 434293941 /nfs/dbraw/zinc/29/39/41/434293941.db2.gz GGHDTVJJYCDFTD-HOTGVXAUSA-N 1 0 318.465 3.290 10 30 DGEERO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(C#N)cc1F ZINC000358577808 434397944 /nfs/dbraw/zinc/39/79/44/434397944.db2.gz VGYDPMMXWSZCFI-MLGOLLRUSA-N 1 0 301.365 3.244 10 30 DGEERO C[C@@H](O)CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438984170 434552940 /nfs/dbraw/zinc/55/29/40/434552940.db2.gz JRWFIPLWNVTVEX-OAHLLOKOSA-N 1 0 312.388 3.470 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000424176993 434646036 /nfs/dbraw/zinc/64/60/36/434646036.db2.gz SQKVBSXOOYKLGZ-ONGXEEELSA-N 1 0 302.237 3.191 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000424165767 434642226 /nfs/dbraw/zinc/64/22/26/434642226.db2.gz BGGMYCBMFGHNTA-ZFWWWQNUSA-N 1 0 315.335 3.308 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000424173417 434644638 /nfs/dbraw/zinc/64/46/38/434644638.db2.gz PVPYELVATMFGOV-NXOAAHMSSA-N 1 0 309.450 3.069 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC000424174953 434646498 /nfs/dbraw/zinc/64/64/98/434646498.db2.gz OXCHVHIGANDPPB-HOTGVXAUSA-N 1 0 305.418 3.165 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000424294290 434679393 /nfs/dbraw/zinc/67/93/93/434679393.db2.gz KGUXCYLMWDKZEL-XUJVJEKNSA-N 1 0 309.381 3.085 10 30 DGEERO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000371743424 434745255 /nfs/dbraw/zinc/74/52/55/434745255.db2.gz ITQDVVVHLWPQHL-QZTJIDSGSA-N 1 0 321.486 3.293 10 30 DGEERO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000574030557 434944456 /nfs/dbraw/zinc/94/44/56/434944456.db2.gz ZQDBMLRRMMEBHS-QGZVFWFLSA-N 1 0 300.446 3.058 10 30 DGEERO C=CCOc1ccc(CN[C@H]2CC[NH2+]C23CCC3)cc1Cl ZINC000530179132 435043042 /nfs/dbraw/zinc/04/30/42/435043042.db2.gz PXXGZNBCOAZTHG-INIZCTEOSA-N 1 0 306.837 3.279 10 30 DGEERO CC1CC(C#N)(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000531754230 435117064 /nfs/dbraw/zinc/11/70/64/435117064.db2.gz LKQWQOCGQJRHNZ-TVRKMHQQSA-N 1 0 317.477 3.041 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H](CO)[C@@H](C)CCC)cc(OC)c1O ZINC000563254378 435265479 /nfs/dbraw/zinc/26/54/79/435265479.db2.gz CAIJVJLTROFDGA-BBRMVZONSA-N 1 0 307.434 3.016 10 30 DGEERO C=CCOc1ccc(-c2nnc(SC[C@H](C)[NH+](C)C)o2)cc1 ZINC000479089797 435318630 /nfs/dbraw/zinc/31/86/30/435318630.db2.gz JVTQRKAKXRSPLG-LBPRGKRZSA-N 1 0 319.430 3.344 10 30 DGEERO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000488595536 435640424 /nfs/dbraw/zinc/64/04/24/435640424.db2.gz SRCJSPFHBHCKCP-CQSZACIVSA-N 1 0 304.459 3.412 10 30 DGEERO C=C(C[NH2+]Cc1cnnn1Cc1ccccc1)c1ccccc1 ZINC000490775503 435678891 /nfs/dbraw/zinc/67/88/91/435678891.db2.gz GRFGGNGCUAQOHP-UHFFFAOYSA-N 1 0 304.397 3.129 10 30 DGEERO C[C@H]1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC(C)(C)C1 ZINC000184149124 300396800 /nfs/dbraw/zinc/39/68/00/300396800.db2.gz KKNSFWMZMXNZBI-JKSUJKDBSA-N 1 0 307.482 3.143 10 30 DGEERO C=CCCC[N@@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000572084716 435778249 /nfs/dbraw/zinc/77/82/49/435778249.db2.gz ALAAUGUCTDJVOC-UHFFFAOYSA-N 1 0 308.223 3.495 10 30 DGEERO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CC=CCC1 ZINC000542249497 314064628 /nfs/dbraw/zinc/06/46/28/314064628.db2.gz SAGCATBHLIBLDQ-ZDUSSCGKSA-N 1 0 303.431 3.236 10 30 DGEERO N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000577016531 316192935 /nfs/dbraw/zinc/19/29/35/316192935.db2.gz LTTYRUHYGZXNMY-ZDUSSCGKSA-N 1 0 324.350 3.401 10 30 DGEERO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000185120325 323381528 /nfs/dbraw/zinc/38/15/28/323381528.db2.gz CZPGNVPCBLRZOK-CQSZACIVSA-N 1 0 314.414 3.084 10 30 DGEERO C=CCCCCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000583451438 332423771 /nfs/dbraw/zinc/42/37/71/332423771.db2.gz UXBVVTJVKDEFBN-HNNXBMFYSA-N 1 0 324.490 3.348 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000185053354 337201507 /nfs/dbraw/zinc/20/15/07/337201507.db2.gz QRAAFUGAUUFRGC-FUHWJXTLSA-N 1 0 300.446 3.370 10 30 DGEERO C=CC[C@@H](Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000583071475 337235767 /nfs/dbraw/zinc/23/57/67/337235767.db2.gz TZQSFGCMSVGDMD-SFHVURJKSA-N 1 0 323.440 3.212 10 30 DGEERO Cc1ccc(NC(=[NH2+])NCc2nnc(C(C)C)s2)cc1C ZINC000262431919 337617656 /nfs/dbraw/zinc/61/76/56/337617656.db2.gz SOUQMPJDHHLNMJ-UHFFFAOYSA-N 1 0 303.435 3.205 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000499255735 340033413 /nfs/dbraw/zinc/03/34/13/340033413.db2.gz ZEFOQCXLAXHWBI-IRXDYDNUSA-N 1 0 303.446 3.480 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000499255280 340033565 /nfs/dbraw/zinc/03/35/65/340033565.db2.gz MYVHXITXQKLUSK-MSOLQXFVSA-N 1 0 303.446 3.480 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CC[NH+](CCC)CC1 ZINC000505029651 340159387 /nfs/dbraw/zinc/15/93/87/340159387.db2.gz OUTINOWAICHPQW-UHFFFAOYSA-N 1 0 301.434 3.365 10 30 DGEERO C=C(C)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000509365350 340267452 /nfs/dbraw/zinc/26/74/52/340267452.db2.gz IZSKHDFJJUIZTR-KRWDZBQOSA-N 1 0 314.429 3.381 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544192048 341073977 /nfs/dbraw/zinc/07/39/77/341073977.db2.gz WPYZPEXAVNUVAX-SFHVURJKSA-N 1 0 300.446 3.209 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000544609298 341088653 /nfs/dbraw/zinc/08/86/53/341088653.db2.gz KKSDGVWKULAIAH-QZTJIDSGSA-N 1 0 303.446 3.480 10 30 DGEERO C#CCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156720711 341625573 /nfs/dbraw/zinc/62/55/73/341625573.db2.gz OFZUITUFCWXZTM-HOTGVXAUSA-N 1 0 308.466 3.415 10 30 DGEERO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000184648145 533824945 /nfs/dbraw/zinc/82/49/45/533824945.db2.gz NBIFXIZHEZVBPK-NSHDSACASA-N 1 0 305.809 3.318 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc(OC)c1O ZINC000449687807 534412678 /nfs/dbraw/zinc/41/26/78/534412678.db2.gz RFGVYILGNDFAQX-LJQANCHMSA-N 1 0 317.429 3.132 10 30 DGEERO CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H]([NH3+])CO ZINC000032789859 520007727 /nfs/dbraw/zinc/00/77/27/520007727.db2.gz AERBNCYCJBRYDG-OKZBNKHCSA-N 1 0 317.514 3.119 10 30 DGEERO C=CC(C)(C)CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000455372562 534511917 /nfs/dbraw/zinc/51/19/17/534511917.db2.gz VFNJDABLBXHUBI-UHFFFAOYSA-N 1 0 315.461 3.294 10 30 DGEERO C=C[C@@H]1OCC[C@H]1[NH2+]CCOc1c(Cl)cccc1Cl ZINC000451594090 534609069 /nfs/dbraw/zinc/60/90/69/534609069.db2.gz AEDJVHAUAXYBFJ-OLZOCXBDSA-N 1 0 302.201 3.305 10 30 DGEERO C=CCCCC[C@H](C)[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000449241174 534697409 /nfs/dbraw/zinc/69/74/09/534697409.db2.gz RSCNOYVODUJODE-RDJZCZTQSA-N 1 0 301.434 3.302 10 30 DGEERO [NH2+]=C(NC[C@@H](O)c1cc2ccccc2s1)NC1CCCCC1 ZINC000159382773 534834346 /nfs/dbraw/zinc/83/43/46/534834346.db2.gz OAVBUKHKQQIARH-CQSZACIVSA-N 1 0 317.458 3.172 10 30 DGEERO CC#CCCCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000345511905 526303980 /nfs/dbraw/zinc/30/39/80/526303980.db2.gz UIVNULOPFFASJT-INIZCTEOSA-N 1 0 300.402 3.204 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccnc(C[NH3+])c1 ZINC000130081757 526336142 /nfs/dbraw/zinc/33/61/42/526336142.db2.gz JMRUVYAKFVLCHF-UHFFFAOYSA-N 1 0 321.833 3.084 10 30 DGEERO C=C(C)C[NH+]1CCC(NCc2ncc(C(F)(F)F)s2)CC1 ZINC000433309821 526605066 /nfs/dbraw/zinc/60/50/66/526605066.db2.gz DIQKJFKJFCXKBA-UHFFFAOYSA-N 1 0 319.396 3.292 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@H](C)Cc2ccn(C(C)C)n2)CC1 ZINC000341197300 526606535 /nfs/dbraw/zinc/60/65/35/526606535.db2.gz ADCBGROJFIEHFP-MRXNPFEDSA-N 1 0 304.482 3.025 10 30 DGEERO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000180128462 526741481 /nfs/dbraw/zinc/74/14/81/526741481.db2.gz PQSMAWZYHWEAOU-LJQANCHMSA-N 1 0 323.440 3.258 10 30 DGEERO C=C(C)[C@@H]([NH2+][C@H](CC)Cn1cncn1)c1ccc(F)c(F)c1 ZINC000340502639 526758143 /nfs/dbraw/zinc/75/81/43/526758143.db2.gz MCHIKOWNXFGVAB-CZUORRHYSA-N 1 0 306.360 3.242 10 30 DGEERO C=CCOCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339205431 526783957 /nfs/dbraw/zinc/78/39/57/526783957.db2.gz VYOXDFDGVPXVHZ-JKSUJKDBSA-N 1 0 312.816 3.017 10 30 DGEERO C=C(CC)C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000444725448 526853036 /nfs/dbraw/zinc/85/30/36/526853036.db2.gz MZBVYSUCTBPQLW-UHFFFAOYSA-N 1 0 302.447 3.088 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000353515309 526867583 /nfs/dbraw/zinc/86/75/83/526867583.db2.gz DQMAIBVBARHQRE-LSDHHAIUSA-N 1 0 315.335 3.139 10 30 DGEERO C=CCOc1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000349019902 526872010 /nfs/dbraw/zinc/87/20/10/526872010.db2.gz BDIUHUQSNCYIRR-APWZRJJASA-N 1 0 300.446 3.310 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)cc1 ZINC000345840221 526887870 /nfs/dbraw/zinc/88/78/70/526887870.db2.gz HSTCYBFUNGXLTA-UONOGXRCSA-N 1 0 303.324 3.043 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354165824 526933903 /nfs/dbraw/zinc/93/39/03/526933903.db2.gz ILIZEPCYGRWIAN-IBGZPJMESA-N 1 0 300.446 3.169 10 30 DGEERO C=CCSc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000362389496 527008910 /nfs/dbraw/zinc/00/89/10/527008910.db2.gz OXIVJMRBSRNNSE-UHFFFAOYSA-N 1 0 304.459 3.131 10 30 DGEERO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000432074349 527010069 /nfs/dbraw/zinc/01/00/69/527010069.db2.gz BTOJAUKMQNURQG-DLBZAZTESA-N 1 0 315.461 3.333 10 30 DGEERO C=CCCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000346892951 527188722 /nfs/dbraw/zinc/18/87/22/527188722.db2.gz KLDASZQMYWWNDX-QGZVFWFLSA-N 1 0 318.436 3.462 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000346970050 527192283 /nfs/dbraw/zinc/19/22/83/527192283.db2.gz UDJHYTXXLFKSCU-UHFFFAOYSA-N 1 0 324.446 3.070 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc(OC)c1O ZINC000355116067 527237274 /nfs/dbraw/zinc/23/72/74/527237274.db2.gz SAGQTJPLABYPIH-IAGOWNOFSA-N 1 0 317.429 3.130 10 30 DGEERO C=CCc1cc(C[NH2+]CC2CCC(OC)CC2)cc(OC)c1O ZINC000344605496 527241844 /nfs/dbraw/zinc/24/18/44/527241844.db2.gz CJYSJZPEEWGYPA-UHFFFAOYSA-N 1 0 319.445 3.424 10 30 DGEERO C=CCCC[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000341126141 527275134 /nfs/dbraw/zinc/27/51/34/527275134.db2.gz NFAUWKJBDXIXPT-HNNXBMFYSA-N 1 0 322.474 3.013 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000352201925 527275750 /nfs/dbraw/zinc/27/57/50/527275750.db2.gz WETUEHJGWPCALD-ZDUSSCGKSA-N 1 0 304.463 3.190 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000424173435 527498156 /nfs/dbraw/zinc/49/81/56/527498156.db2.gz NFVQGPNSKLAVCW-NOPRJXFKSA-N 1 0 302.374 3.179 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1nc(C)sc1C)C(C)C ZINC000337401613 527647490 /nfs/dbraw/zinc/64/74/90/527647490.db2.gz RDHOAAIFWLJDIH-HNNXBMFYSA-N 1 0 321.490 3.188 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](F)C1)C(C)C ZINC000424654076 527650307 /nfs/dbraw/zinc/65/03/07/527650307.db2.gz HRJNBFOEAPHWDG-BRWVUGGUSA-N 1 0 310.457 3.330 10 30 DGEERO CCCCCCC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000157962653 528132472 /nfs/dbraw/zinc/13/24/72/528132472.db2.gz JNSDRWCQPKMKGJ-UHFFFAOYSA-N 1 0 306.498 3.250 10 30 DGEERO CC(C)[NH+]1CCC(N(C)c2cc(C#N)nc3ccccc32)CC1 ZINC000301525057 528990713 /nfs/dbraw/zinc/99/07/13/528990713.db2.gz MWQNMCKJUDBOGK-UHFFFAOYSA-N 1 0 308.429 3.415 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000305184162 546443372 /nfs/dbraw/zinc/44/33/72/546443372.db2.gz SVZFWCKCKOYNFX-FQEVSTJZSA-N 1 0 309.409 3.175 10 30 DGEERO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnn3ccccc23)c1 ZINC000733800411 574639971 /nfs/dbraw/zinc/63/99/71/574639971.db2.gz PQVOYNMLAFJOFX-QGZVFWFLSA-N 1 0 320.396 3.305 10 30 DGEERO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311819 574696805 /nfs/dbraw/zinc/69/68/05/574696805.db2.gz WGJZBUDQNYQZGD-CYBMUJFWSA-N 1 0 308.809 3.101 10 30 DGEERO CC(C)[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309700 574697120 /nfs/dbraw/zinc/69/71/20/574697120.db2.gz RUBKJWGRMNGQAN-INIZCTEOSA-N 1 0 321.852 3.205 10 30 DGEERO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCO1 ZINC000735311334 574697129 /nfs/dbraw/zinc/69/71/29/574697129.db2.gz ODHMORZBYGTBFO-HNNXBMFYSA-N 1 0 308.809 3.243 10 30 DGEERO COc1ccc(C[NH2+]Cc2cnc3ccccc3c2)cc1C#N ZINC000742368738 574992842 /nfs/dbraw/zinc/99/28/42/574992842.db2.gz HZVZDVCAXRLMEH-UHFFFAOYSA-N 1 0 303.365 3.405 10 30 DGEERO Cc1ccc(N=NCc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000727259778 576116321 /nfs/dbraw/zinc/11/63/21/576116321.db2.gz MMDHFVNUOPTNCW-UHFFFAOYSA-N 1 0 324.428 3.311 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1(c2cccc(F)c2)CC1 ZINC000121294989 619038993 /nfs/dbraw/zinc/03/89/93/619038993.db2.gz JUAYOSKAMDSVJT-OAHLLOKOSA-N 1 0 317.404 3.134 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)c1ccccc1F ZINC000121356032 621317317 /nfs/dbraw/zinc/31/73/17/621317317.db2.gz AKSZCXGINULFHU-LSDHHAIUSA-N 1 0 305.393 3.206 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)c1cnc(C(C)C)s1 ZINC000125561920 623488746 /nfs/dbraw/zinc/48/87/46/623488746.db2.gz WDOKZVYRWCNVEL-ZDUSSCGKSA-N 1 0 308.447 3.157 10 30 DGEERO CC[N@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)C1CCCC1 ZINC000131059104 625936616 /nfs/dbraw/zinc/93/66/16/625936616.db2.gz OJGPYUUQZYNZEZ-UHFFFAOYSA-N 1 0 309.417 3.347 10 30 DGEERO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)[C@H]2C)o1 ZINC000886077944 627099662 /nfs/dbraw/zinc/09/96/62/627099662.db2.gz RTRGMCYFVKHZSQ-NHYWBVRUSA-N 1 0 314.364 3.157 10 30 DGEERO CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000218106898 627104286 /nfs/dbraw/zinc/10/42/86/627104286.db2.gz XKAIXGRMLLZZIF-URGYJCLVSA-N 1 0 307.438 3.104 10 30 DGEERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000300241399 627263236 /nfs/dbraw/zinc/26/32/36/627263236.db2.gz IZMSMKWMHTYMOE-KKUMJFAQSA-N 1 0 309.454 3.065 10 30 DGEERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000300241401 627263283 /nfs/dbraw/zinc/26/32/83/627263283.db2.gz IZMSMKWMHTYMOE-SOUVJXGZSA-N 1 0 309.454 3.065 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1(c2ccc(F)cc2)CC1 ZINC000121427191 629975862 /nfs/dbraw/zinc/97/58/62/629975862.db2.gz BONGTYNJQKCZGY-OAHLLOKOSA-N 1 0 317.404 3.134 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)/C=C\c1ccc(Cl)nc1 ZINC000255069048 655591288 /nfs/dbraw/zinc/59/12/88/655591288.db2.gz TXAOREBOLDNEHG-FPAJZGIOSA-N 1 0 320.820 3.025 10 30 DGEERO CCCCCCC[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000157901406 655710023 /nfs/dbraw/zinc/71/00/23/655710023.db2.gz JRGIWQWBVQRJIS-KRWDZBQOSA-N 1 0 323.525 3.022 10 30 DGEERO C[NH+]=C(N[C@H](C)c1ccc(C)o1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262371977 655843684 /nfs/dbraw/zinc/84/36/84/655843684.db2.gz ITVQXIHQOKRIHW-CLWVCHIJSA-N 1 0 319.449 3.018 10 30 DGEERO C=C(C)COc1cccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000290068828 655874511 /nfs/dbraw/zinc/87/45/11/655874511.db2.gz IZRYKXANPGJCRT-GJZGRUSLSA-N 1 0 302.418 3.310 10 30 DGEERO C=C(Br)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177298785 655920520 /nfs/dbraw/zinc/92/05/20/655920520.db2.gz GAPFGPZYUXWGRK-LBPRGKRZSA-N 1 0 306.207 3.432 10 30 DGEERO N#C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716655242 661226227 /nfs/dbraw/zinc/22/62/27/661226227.db2.gz NYOMDYLVALLHMS-KNJMJIDISA-N 1 0 309.457 3.321 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1cc(Br)ccc1Cl ZINC000716932874 661234131 /nfs/dbraw/zinc/23/41/31/661234131.db2.gz FUVRWPSEMPXEDV-GFCCVEGCSA-N 1 0 316.626 3.230 10 30 DGEERO C#CC[C@H](COC)[NH2+]Cc1ccc(Br)cc1Cl ZINC000716936225 661234307 /nfs/dbraw/zinc/23/43/07/661234307.db2.gz RYPKMRWDOLMADV-GFCCVEGCSA-N 1 0 316.626 3.230 10 30 DGEERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000299976588 656229610 /nfs/dbraw/zinc/22/96/10/656229610.db2.gz DKXFIJNXXGZKJW-SOUVJXGZSA-N 1 0 307.438 3.058 10 30 DGEERO C[NH+]=C(NC[C@H](C)SC)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261966527 657265985 /nfs/dbraw/zinc/26/59/85/657265985.db2.gz LPCWHIAYAMFHKC-GXTWGEPZSA-N 1 0 321.490 3.205 10 30 DGEERO [NH2+]=C(NCc1ccc(OC2CCCC2)nc1)NC1CCCCC1 ZINC000262021348 657291466 /nfs/dbraw/zinc/29/14/66/657291466.db2.gz YBAJCDXBLLOTKY-UHFFFAOYSA-N 1 0 316.449 3.140 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(C)c(C(C)=O)c1 ZINC000192861041 657381701 /nfs/dbraw/zinc/38/17/01/657381701.db2.gz YJWMCXLZVAURFF-OAHLLOKOSA-N 1 0 315.413 3.088 10 30 DGEERO Cc1cc(CNC(=[NH2+])NC2CC2)ccc1Oc1ccc(F)cc1 ZINC000303393807 657532612 /nfs/dbraw/zinc/53/26/12/657532612.db2.gz ZZICSLGNMJGLCD-UHFFFAOYSA-N 1 0 313.376 3.493 10 30 DGEERO Cc1nc2ccccc2n1CCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000303786854 657563545 /nfs/dbraw/zinc/56/35/45/657563545.db2.gz RSMAUYZRHILNCI-UHFFFAOYSA-N 1 0 321.428 3.470 10 30 DGEERO CCCOCc1ccccc1CNC(=[NH2+])NC1CCCCC1 ZINC000303896047 657574423 /nfs/dbraw/zinc/57/44/23/657574423.db2.gz UDQCVPZYPXCOOA-UHFFFAOYSA-N 1 0 303.450 3.350 10 30 DGEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](CSc2ccccc2)C1 ZINC000262454117 657580141 /nfs/dbraw/zinc/58/01/41/657580141.db2.gz KMJIRBXEQJLUGP-OFQRWUPVSA-N 1 0 303.475 3.084 10 30 DGEERO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CCC(C)(C)O2)cc1 ZINC000262461096 657586642 /nfs/dbraw/zinc/58/66/42/657586642.db2.gz VVUBGRRZCDXCGP-HNNXBMFYSA-N 1 0 305.422 3.158 10 30 DGEERO [NH2+]=C(NCCc1cc(F)ccc1F)Nc1ccc2c(c1)CCC2 ZINC000304495812 657636376 /nfs/dbraw/zinc/63/63/76/657636376.db2.gz NMUJYPZRDGBSLI-UHFFFAOYSA-N 1 0 315.367 3.423 10 30 DGEERO CCOc1ccc(CNC(=[NH2+])Nc2cccc(OC)c2)cc1F ZINC000304741442 657645976 /nfs/dbraw/zinc/64/59/76/657645976.db2.gz CDFFTKZRBPNLAB-UHFFFAOYSA-N 1 0 317.364 3.160 10 30 DGEERO [NH2+]=C(NCCCSc1ccccc1)NCCc1cccs1 ZINC000303704216 657692480 /nfs/dbraw/zinc/69/24/80/657692480.db2.gz JYTSZDACMVBADM-UHFFFAOYSA-N 1 0 319.499 3.377 10 30 DGEERO CC(C)(CNC(=[NH2+])NC1CC1)c1c(Cl)cccc1Cl ZINC000303979227 657701314 /nfs/dbraw/zinc/70/13/14/657701314.db2.gz MXLODGSJCCLJKN-UHFFFAOYSA-N 1 0 300.233 3.338 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000305835830 657738817 /nfs/dbraw/zinc/73/88/17/657738817.db2.gz PUHKEDMUFAGXFB-MRXNPFEDSA-N 1 0 317.433 3.188 10 30 DGEERO [NH2+]=C(NCC1(c2ccc(F)cc2F)CC1)NC1CCCCC1 ZINC000305672378 657887122 /nfs/dbraw/zinc/88/71/22/657887122.db2.gz JTASMTNQMUUJGP-UHFFFAOYSA-N 1 0 307.388 3.233 10 30 DGEERO COc1cccc([C@H]2C[C@H](NC(=[NH2+])NC3CCCCC3)C2)c1 ZINC000263063277 658114737 /nfs/dbraw/zinc/11/47/37/658114737.db2.gz FUXQKGVFEJHKKC-KOMQPUFPSA-N 1 0 301.434 3.178 10 30 DGEERO CCc1nc(CNC(N[C@H](C)c2ccccc2C)=[NH+]C)cs1 ZINC000085767352 658134680 /nfs/dbraw/zinc/13/46/80/658134680.db2.gz ABMSXISGUGZXSR-CYBMUJFWSA-N 1 0 316.474 3.440 10 30 DGEERO C[NH+]=C(NCc1cc(F)ccc1SC)N(C)Cc1ccc[nH]1 ZINC000262812047 658416632 /nfs/dbraw/zinc/41/66/32/658416632.db2.gz UMXZBWZRXCLIDM-UHFFFAOYSA-N 1 0 320.437 3.083 10 30 DGEERO CC[NH+]=C(NCc1sc(C)nc1C)N[C@@H](C)c1ccc(C)o1 ZINC000089018464 658642791 /nfs/dbraw/zinc/64/27/91/658642791.db2.gz WXZYOYXBSNVGBG-NSHDSACASA-N 1 0 320.462 3.478 10 30 DGEERO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000227261038 659150064 /nfs/dbraw/zinc/15/00/64/659150064.db2.gz DKXFIJNXXGZKJW-ILXRZTDVSA-N 1 0 307.438 3.058 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000169147712 659159580 /nfs/dbraw/zinc/15/95/80/659159580.db2.gz YUCYHLFDLMMMPF-BEFAXECRSA-N 1 0 307.393 3.353 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000446844935 660064237 /nfs/dbraw/zinc/06/42/37/660064237.db2.gz WOMWZSXZOKUOTF-KRWDZBQOSA-N 1 0 311.429 3.365 10 30 DGEERO CC(C)[N@H+](CCc1nccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000159902154 661897805 /nfs/dbraw/zinc/89/78/05/661897805.db2.gz XVPLQQRUBPDZHH-INIZCTEOSA-N 1 0 315.442 3.001 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)/C=C/c1ccc(Cl)nc1 ZINC000089241538 662239284 /nfs/dbraw/zinc/23/92/84/662239284.db2.gz TXAOREBOLDNEHG-MARXPDLDSA-N 1 0 320.820 3.025 10 30 DGEERO C#CCOc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000092812726 662336014 /nfs/dbraw/zinc/33/60/14/662336014.db2.gz NHKKOXKQRLDZCS-SFHVURJKSA-N 1 0 321.424 3.028 10 30 DGEERO C#CC[C@H](COC)[NH2+][C@H]1CCc2c1cccc2Br ZINC000716948707 685275912 /nfs/dbraw/zinc/27/59/12/685275912.db2.gz RCPNJOFBCIJBQX-ABAIWWIYSA-N 1 0 308.219 3.064 10 30 DGEERO C#CCN(C)CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000394422830 1176746478 /nfs/dbraw/zinc/74/64/78/1176746478.db2.gz QASAYUPBDUOTPY-UHFFFAOYSA-N 1 0 322.452 3.310 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085366870 1177712279 /nfs/dbraw/zinc/71/22/79/1177712279.db2.gz FHJUFROUZAZLBL-OLZOCXBDSA-N 1 0 312.866 3.434 10 30 DGEERO C=CCc1cc(CNc2cc(OC)cc[nH+]2)cc(OC)c1O ZINC000089805318 1198052365 /nfs/dbraw/zinc/05/23/65/1198052365.db2.gz LBIGXPASTBFGTD-UHFFFAOYSA-N 1 0 300.358 3.145 10 30 DGEERO C=CC[C@@H](CC)[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401957451 1199427147 /nfs/dbraw/zinc/42/71/47/1199427147.db2.gz QELKAYMDPQOEEU-SJORKVTESA-N 1 0 302.418 3.342 10 30 DGEERO C[C@@H]1[C@H]([NH2+]CC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000309801874 1199710459 /nfs/dbraw/zinc/71/04/59/1199710459.db2.gz KBWLXNNYKFWXRW-WIYYLYMNSA-N 1 0 304.437 3.291 10 30 DGEERO C=CC[C@H](CO)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000320197589 1199845268 /nfs/dbraw/zinc/84/52/68/1199845268.db2.gz CBXBFKBCNNKPDQ-OTTFEQOBSA-N 1 0 310.235 3.222 10 30 DGEERO C[N@@H+]1CCC[C@H](CNc2cc(Br)ccc2C#N)C1 ZINC000123210447 1200275507 /nfs/dbraw/zinc/27/55/07/1200275507.db2.gz SYLHSAPGEAVGLN-LLVKDONJSA-N 1 0 308.223 3.074 10 30 DGEERO CC(C)[N@@H+]1CC[C@@H](CNc2cc(Br)ccc2C#N)C1 ZINC000123223444 1200276296 /nfs/dbraw/zinc/27/62/96/1200276296.db2.gz MOSFEBWUDDHCLJ-LBPRGKRZSA-N 1 0 322.250 3.463 10 30 DGEERO C=CCSCC[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000223949652 1202588097 /nfs/dbraw/zinc/58/80/97/1202588097.db2.gz KSCDPEIDFPWTRQ-UHFFFAOYSA-N 1 0 301.839 3.366 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1cnc2ccc(C)cn12 ZINC000156690543 1202601066 /nfs/dbraw/zinc/60/10/66/1202601066.db2.gz CSBVLJKOVBOMNH-UHFFFAOYSA-N 1 0 307.397 3.497 10 30 DGEERO C=CCOc1ccc(C[NH2+]Cc2cccc(CO)c2)cc1OC ZINC000237111630 1202647732 /nfs/dbraw/zinc/64/77/32/1202647732.db2.gz CTTTUIFTXAJXPV-UHFFFAOYSA-N 1 0 313.397 3.042 10 30 DGEERO C=CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCC)C1)c1ccccc1 ZINC000275388793 1202844310 /nfs/dbraw/zinc/84/43/10/1202844310.db2.gz XKDGSMHEOUMMCI-WMZOPIPTSA-N 1 0 300.446 3.194 10 30 DGEERO N#Cc1ccc(Br)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253204376 1203821013 /nfs/dbraw/zinc/82/10/13/1203821013.db2.gz DUNBDBICLQWBST-KGLIPLIRSA-N 1 0 320.234 3.359 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1ccc(C#N)cc1 ZINC000173931184 1203888149 /nfs/dbraw/zinc/88/81/49/1203888149.db2.gz GOXMKWXNRQGBSI-CYBMUJFWSA-N 1 0 310.353 3.017 10 30 DGEERO C#C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)C(C)C ZINC000405339537 1094341144 /nfs/dbraw/zinc/34/11/44/1094341144.db2.gz HHAKBCQJBMANFD-ZNMIVQPWSA-N 1 0 306.450 3.070 10 30 DGEERO C#C[C@H]([NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)C(C)C ZINC000405339532 1094341287 /nfs/dbraw/zinc/34/12/87/1094341287.db2.gz HHAKBCQJBMANFD-KKUMJFAQSA-N 1 0 306.450 3.070 10 30 DGEERO C#CCC[C@H](O)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000717848747 1104421250 /nfs/dbraw/zinc/42/12/50/1104421250.db2.gz KOEZTTWADNOUAR-BCLQGDPASA-N 1 0 322.246 3.059 10 30 DGEERO C#C[C@H]([NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(C)C ZINC000386184598 1108438952 /nfs/dbraw/zinc/43/89/52/1108438952.db2.gz YOJXGJGSHFNWJD-OWCLPIDISA-N 1 0 308.466 3.412 10 30 DGEERO Cc1nsc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1C#N ZINC000309930029 231106908 /nfs/dbraw/zinc/10/69/08/231106908.db2.gz YSNOJDPDYFVONN-LBPRGKRZSA-N 1 0 300.431 3.256 10 30 DGEERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000329192408 282264898 /nfs/dbraw/zinc/26/48/98/282264898.db2.gz SAJPSROMVAXBJW-OLZOCXBDSA-N 1 0 315.417 3.353 10 30 DGEERO CN1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cccs1 ZINC000442791153 530061150 /nfs/dbraw/zinc/06/11/50/530061150.db2.gz NEMNLSZDAZZJOG-ANQUJSFKSA-N 1 0 303.475 3.413 10 30 DGEERO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131921490 432041928 /nfs/dbraw/zinc/04/19/28/432041928.db2.gz HBHTZCKMNSMYDO-IBGZPJMESA-N 1 0 323.444 3.107 10 30 DGEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000281216188 216160057 /nfs/dbraw/zinc/16/00/57/216160057.db2.gz KAUUKZOGGIOLET-CGTJXYLNSA-N 1 0 302.393 3.213 10 30 DGEERO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000246113961 432096054 /nfs/dbraw/zinc/09/60/54/432096054.db2.gz XXBIJOVGICXEAE-FXAWDEMLSA-N 1 0 324.399 3.295 10 30 DGEERO C=CC[C@H](CO)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194173129 201191196 /nfs/dbraw/zinc/19/11/96/201191196.db2.gz BUZLOJIOBCRUAC-HNFVBEJKSA-N 1 0 310.235 3.222 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000449237381 240083348 /nfs/dbraw/zinc/08/33/48/240083348.db2.gz NUOKNPADYOWMAI-MNOVXSKESA-N 1 0 304.217 3.287 10 30 DGEERO C=CCC[C@H](CO)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000449694035 240374245 /nfs/dbraw/zinc/37/42/45/240374245.db2.gz AIOIDXUFAQUQSD-CYBMUJFWSA-N 1 0 303.324 3.044 10 30 DGEERO N#Cc1cnc2ccccc2c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000171138660 432106907 /nfs/dbraw/zinc/10/69/07/432106907.db2.gz DZEKWQMOIQLLLZ-UHFFFAOYSA-N 1 0 320.440 3.419 10 30 DGEERO CCS[C@@H]1CCCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093361763 193238128 /nfs/dbraw/zinc/23/81/28/193238128.db2.gz GJIAIMRSHMEYDV-MRXNPFEDSA-N 1 0 314.458 3.314 10 30 DGEERO CCC[N@@H+](Cc1cc(C#N)ccc1OC)C[C@@H]1CCCCO1 ZINC000120869454 284180460 /nfs/dbraw/zinc/18/04/60/284180460.db2.gz AEUFXWZFFVHUPI-KRWDZBQOSA-N 1 0 302.418 3.348 10 30 DGEERO O=C1C[C@@H](c2cccs2)CC2=[NH+][C@@H]3CCCC[C@@H]3NC=C12 ZINC000017025024 182068298 /nfs/dbraw/zinc/06/82/98/182068298.db2.gz IWJDCNMNLSHXAS-FPMFFAJLSA-N 1 0 300.427 3.434 10 30 DGEERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(C#N)cn1C ZINC000128604904 284380650 /nfs/dbraw/zinc/38/06/50/284380650.db2.gz DVXBPGCIDIVMNM-UHFFFAOYSA-N 1 0 322.412 3.053 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc2c(c1)OCCO2 ZINC000135670284 432131608 /nfs/dbraw/zinc/13/16/08/432131608.db2.gz NSFCCMROMQDVLZ-LLVKDONJSA-N 1 0 300.383 3.242 10 30 DGEERO CC[N@@H+]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246449155 432131649 /nfs/dbraw/zinc/13/16/49/432131649.db2.gz FFTXYXMPGHLVSP-MAUKXSAKSA-N 1 0 304.865 3.354 10 30 DGEERO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)s2)c1 ZINC000135671510 432132779 /nfs/dbraw/zinc/13/27/79/432132779.db2.gz VXNNLRJEBSTYKJ-NSHDSACASA-N 1 0 302.399 3.488 10 30 DGEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246452406 432133186 /nfs/dbraw/zinc/13/31/86/432133186.db2.gz OTEJHHABEZHKNI-IAQYHMDHSA-N 1 0 320.824 3.062 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccccc1)C(C)C ZINC000496014420 246342284 /nfs/dbraw/zinc/34/22/84/246342284.db2.gz OVBBEKOIELYPDS-GOSISDBHSA-N 1 0 300.446 3.044 10 30 DGEERO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(C#N)s1)C2 ZINC000181680108 432141301 /nfs/dbraw/zinc/14/13/01/432141301.db2.gz CFFSFIKMDCQTAG-WCQYABFASA-N 1 0 314.410 3.283 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2cc(F)c(F)cc2F)cc1 ZINC000136227560 432150386 /nfs/dbraw/zinc/15/03/86/432150386.db2.gz AXJMQBRWANTUCG-UHFFFAOYSA-N 1 0 306.287 3.144 10 30 DGEERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CCC#N)C1CC1 ZINC000042955426 183322013 /nfs/dbraw/zinc/32/20/13/183322013.db2.gz VPWCZOAJSNOECF-ABAIWWIYSA-N 1 0 322.250 3.215 10 30 DGEERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCC#N ZINC000043020170 183328416 /nfs/dbraw/zinc/32/84/16/183328416.db2.gz FNIULMRELXMICJ-UONOGXRCSA-N 1 0 310.239 3.073 10 30 DGEERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)CCC#N ZINC000043091010 183335677 /nfs/dbraw/zinc/33/56/77/183335677.db2.gz OMOKQOFDMSCXKL-KGLIPLIRSA-N 1 0 310.239 3.073 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000106212613 194190183 /nfs/dbraw/zinc/19/01/83/194190183.db2.gz BVEQNVOFNKSFNT-QGZVFWFLSA-N 1 0 324.428 3.033 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)[NH2+]CC ZINC000061294112 184167480 /nfs/dbraw/zinc/16/74/80/184167480.db2.gz KULDULJNSYGTNO-UHFFFAOYSA-N 1 0 300.855 3.304 10 30 DGEERO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442868712 533410258 /nfs/dbraw/zinc/41/02/58/533410258.db2.gz REUSMAVAWQECMO-GTPINHCMSA-N 1 0 313.445 3.348 10 30 DGEERO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccoc2)[C@@H]1c1cccnc1 ZINC000328614568 400182589 /nfs/dbraw/zinc/18/25/89/400182589.db2.gz AKDOGVQYOATUQY-WMZOPIPTSA-N 1 0 313.401 3.257 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1 ZINC000091832174 400139185 /nfs/dbraw/zinc/13/91/85/400139185.db2.gz OHPKBMVKCDEQIW-MRXNPFEDSA-N 1 0 313.401 3.322 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1 ZINC000092095341 400154506 /nfs/dbraw/zinc/15/45/06/400154506.db2.gz SLUMQJVXUJQHFN-GUDVDZBRSA-N 1 0 317.429 3.020 10 30 DGEERO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc2ccccc2c1 ZINC000123185024 400466090 /nfs/dbraw/zinc/46/60/90/400466090.db2.gz JBRWTSUUHRZIDB-JLTOFOAXSA-N 1 0 321.424 3.299 10 30 DGEERO C=CCCCN(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000076951618 400681593 /nfs/dbraw/zinc/68/15/93/400681593.db2.gz LUBMLGPNWHGNEK-IAGOWNOFSA-N 1 0 309.498 3.352 10 30 DGEERO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000076952774 400681605 /nfs/dbraw/zinc/68/16/05/400681605.db2.gz DJNZECSKBLDOHY-AEFFLSMTSA-N 1 0 315.461 3.430 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307699 400817656 /nfs/dbraw/zinc/81/76/56/400817656.db2.gz IPYSQXDYXRRBHN-LBPRGKRZSA-N 1 0 312.866 3.306 10 30 DGEERO C=CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179267739 400877403 /nfs/dbraw/zinc/87/74/03/400877403.db2.gz UGNIPNKVMZPTHC-ROUUACIJSA-N 1 0 313.445 3.039 10 30 DGEERO CO[C@@H]1CCC[C@H]([NH2+]CCSCc2ccccc2C#N)C1 ZINC000619425248 400844951 /nfs/dbraw/zinc/84/49/51/400844951.db2.gz GNXKOEZUBKMZNQ-DLBZAZTESA-N 1 0 304.459 3.339 10 30 DGEERO N#Cc1ccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1Cl ZINC000619748735 400898238 /nfs/dbraw/zinc/89/82/38/400898238.db2.gz MUQORWFUDGAAQI-UHFFFAOYSA-N 1 0 312.760 3.485 10 30 DGEERO N#Cc1ccc(N2CCC([NH2+][C@H]3CC[C@H]3C3CCC3)CC2)nc1 ZINC000619753558 400898353 /nfs/dbraw/zinc/89/83/53/400898353.db2.gz DJMLYJAHLPPNOL-ROUUACIJSA-N 1 0 310.445 3.090 10 30 DGEERO N#Cc1ccc(C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1Cl ZINC000619748573 400898680 /nfs/dbraw/zinc/89/86/80/400898680.db2.gz IWKVXCPTVZEEDV-UHFFFAOYSA-N 1 0 323.787 3.082 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@H](O)COc1ccc(SC)cc1 ZINC000629588821 400984891 /nfs/dbraw/zinc/98/48/91/400984891.db2.gz PDZVUFTUNIEKFB-AWEZNQCLSA-N 1 0 309.475 3.340 10 30 DGEERO C=CC(C)(C)CC[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000629588831 400985508 /nfs/dbraw/zinc/98/55/08/400985508.db2.gz PKJUKXBIYZSMHA-HNNXBMFYSA-N 1 0 311.853 3.409 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC000600186604 401214040 /nfs/dbraw/zinc/21/40/40/401214040.db2.gz RXURJNIYKHAJTN-GJZGRUSLSA-N 1 0 303.402 3.025 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000625700550 401185665 /nfs/dbraw/zinc/18/56/65/401185665.db2.gz KEEZSOOFKDURRK-GFCCVEGCSA-N 1 0 308.809 3.185 10 30 DGEERO C=C(C)Cn1c(C)nnc1N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000634372677 401276727 /nfs/dbraw/zinc/27/67/27/401276727.db2.gz WLWLARMQOZXHSC-UHFFFAOYSA-N 1 0 317.481 3.007 10 30 DGEERO C=C[C@@H](CC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634763991 401347141 /nfs/dbraw/zinc/34/71/41/401347141.db2.gz IWMAODBKZNIRTP-DOTOQJQBSA-N 1 0 300.446 3.241 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000630578564 401291122 /nfs/dbraw/zinc/29/11/22/401291122.db2.gz JQUYVGZKODHLKB-AWEZNQCLSA-N 1 0 304.459 3.358 10 30 DGEERO C=CCCC(C)(C)CNc1cc(N2CCC(C)(O)CC2)ncn1 ZINC000631452861 401473291 /nfs/dbraw/zinc/47/32/91/401473291.db2.gz WSMNZULXCKSRIF-UHFFFAOYSA-N 1 0 318.465 3.232 10 30 DGEERO C=C1CC(C)(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000631209452 401427106 /nfs/dbraw/zinc/42/71/06/401427106.db2.gz DOKOBEXGAPRICF-UHFFFAOYSA-N 1 0 300.446 3.499 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC[C@@H](O)C(F)F)cc1Cl ZINC000631216362 401428985 /nfs/dbraw/zinc/42/89/85/401428985.db2.gz ISJGWGWMKARNAR-GFCCVEGCSA-N 1 0 305.752 3.011 10 30 DGEERO C=C1CC(C)(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000631413509 401465876 /nfs/dbraw/zinc/46/58/76/401465876.db2.gz HIRULDCJHKQBIJ-UHFFFAOYSA-N 1 0 311.429 3.498 10 30 DGEERO C=C1CC(C)(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000631595527 401509330 /nfs/dbraw/zinc/50/93/30/401509330.db2.gz BUKXUNWIIOGXIZ-QGZVFWFLSA-N 1 0 312.457 3.466 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@@H](C)CO)cc1OC ZINC000623427510 401514816 /nfs/dbraw/zinc/51/48/16/401514816.db2.gz BMHIMXDSBIZMBM-RYUDHWBXSA-N 1 0 313.825 3.020 10 30 DGEERO C=CC(C)(C)CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628312771 401574480 /nfs/dbraw/zinc/57/44/80/401574480.db2.gz OFDFFMWRBRNNFB-QGZVFWFLSA-N 1 0 300.446 3.227 10 30 DGEERO C=CC(C)(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000623814150 401582463 /nfs/dbraw/zinc/58/24/63/401582463.db2.gz BMHQRPKAWYFTHV-DLBZAZTESA-N 1 0 315.461 3.333 10 30 DGEERO C=CC(C)(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000623814152 401582603 /nfs/dbraw/zinc/58/26/03/401582603.db2.gz BMHQRPKAWYFTHV-IRXDYDNUSA-N 1 0 315.461 3.333 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000628406344 401592169 /nfs/dbraw/zinc/59/21/69/401592169.db2.gz HXPKMEKOYIVVBT-IRXDYDNUSA-N 1 0 300.446 3.310 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C/C=C/C)C2)CC1 ZINC000623635099 401559623 /nfs/dbraw/zinc/55/96/23/401559623.db2.gz URWAHHVGBKDNSM-LLCTXKFZSA-N 1 0 305.466 3.025 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)C1 ZINC000623637590 401559680 /nfs/dbraw/zinc/55/96/80/401559680.db2.gz BQPUKZFIOGXYPH-HUUCEWRRSA-N 1 0 317.420 3.278 10 30 DGEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000624205591 401638976 /nfs/dbraw/zinc/63/89/76/401638976.db2.gz IGDAJUYJIQILTM-CABCVRRESA-N 1 0 300.402 3.356 10 30 DGEERO C=CC[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000624544323 401670108 /nfs/dbraw/zinc/67/01/08/401670108.db2.gz MLHFAPCXDFGVOU-RDJZCZTQSA-N 1 0 305.466 3.001 10 30 DGEERO Cc1ccc(N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)nc1 ZINC000176975038 164794723 /nfs/dbraw/zinc/79/47/23/164794723.db2.gz LBYOFFKTRMJXTP-UHFFFAOYSA-N 1 0 312.442 3.082 10 30 DGEERO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)[C@H]1COc2ccccc21 ZINC000185604334 165010331 /nfs/dbraw/zinc/01/03/31/165010331.db2.gz QEQHYPLNYDLMDJ-HNAYVOBHSA-N 1 0 322.408 3.481 10 30 DGEERO Cn1cc(C[NH+]2CCC(Nc3ccccc3F)CC2)cc1C#N ZINC000191392773 165248183 /nfs/dbraw/zinc/24/81/83/165248183.db2.gz GRGVHPCUGFUJJA-UHFFFAOYSA-N 1 0 312.392 3.112 10 30 DGEERO CCn1cc(C2CC[NH+](CCOc3ccccc3C#N)CC2)cn1 ZINC000195500897 165372486 /nfs/dbraw/zinc/37/24/86/165372486.db2.gz JXMYBDLQJXMYOE-UHFFFAOYSA-N 1 0 324.428 3.033 10 30 DGEERO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)o1 ZINC000365618466 287154238 /nfs/dbraw/zinc/15/42/38/287154238.db2.gz POXAYJGHXAIVMD-GUYCJALGSA-N 1 0 316.788 3.013 10 30 DGEERO C=CCC[C@H](O)C[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000247383469 432226109 /nfs/dbraw/zinc/22/61/09/432226109.db2.gz LGLYGZSKFRAOEI-LNLFQRSKSA-N 1 0 303.446 3.392 10 30 DGEERO C=C(Br)CN1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151118403 432222010 /nfs/dbraw/zinc/22/20/10/432222010.db2.gz QREAZIBVTHSWCN-ZDUSSCGKSA-N 1 0 310.239 3.032 10 30 DGEERO Cc1nc(CN2CCC[N@H+](CC(C)(C)CCC#N)CC2)cs1 ZINC000157264336 228232770 /nfs/dbraw/zinc/23/27/70/228232770.db2.gz AKGDGHXRALTMEI-UHFFFAOYSA-N 1 0 320.506 3.289 10 30 DGEERO Cc1nccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000183681830 228375430 /nfs/dbraw/zinc/37/54/30/228375430.db2.gz VGVFARIKPORTEI-GOEBONIOSA-N 1 0 307.401 3.275 10 30 DGEERO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C1 ZINC000185795223 228397655 /nfs/dbraw/zinc/39/76/55/228397655.db2.gz CFZSPPCOZQIHGP-MOPGFXCFSA-N 1 0 321.424 3.069 10 30 DGEERO [NH2+]=C(NCc1cc(Cl)cc2c1OCC2)NC1CCCCC1 ZINC000262351265 228643516 /nfs/dbraw/zinc/64/35/16/228643516.db2.gz FZYVJRFEFXMPNS-UHFFFAOYSA-N 1 0 307.825 3.012 10 30 DGEERO C=CC[NH+]1CCC(Nc2nccn3nc(C4CCC4)cc23)CC1 ZINC000631109880 424829055 /nfs/dbraw/zinc/82/90/55/424829055.db2.gz UGPYAQDYABSREY-UHFFFAOYSA-N 1 0 311.433 3.059 10 30 DGEERO C=C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000270364155 432237201 /nfs/dbraw/zinc/23/72/01/432237201.db2.gz YJCSEQNDAPZHQK-BPIHKTFHSA-N 1 0 312.457 3.478 10 30 DGEERO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358576484 267164836 /nfs/dbraw/zinc/16/48/36/267164836.db2.gz UDZXRZKXSZDXIS-ZJUUUORDSA-N 1 0 304.287 3.315 10 30 DGEERO C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(C#N)cc1F ZINC000358570709 267182343 /nfs/dbraw/zinc/18/23/43/267182343.db2.gz NYLGTFCLODMZQN-NSHDSACASA-N 1 0 317.330 3.232 10 30 DGEERO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(C#N)cc1F ZINC000358569094 267182881 /nfs/dbraw/zinc/18/28/81/267182881.db2.gz LQKQGWKOSKNQBQ-ZDUSSCGKSA-N 1 0 308.360 3.238 10 30 DGEERO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccncc2C#N)CC1 ZINC000364347070 267212090 /nfs/dbraw/zinc/21/20/90/267212090.db2.gz KWJYZFXZHHRFLH-INIZCTEOSA-N 1 0 312.461 3.434 10 30 DGEERO N#Cc1ccncc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000354558546 268300514 /nfs/dbraw/zinc/30/05/14/268300514.db2.gz HSDCELOZRUGOCD-GOSISDBHSA-N 1 0 306.413 3.420 10 30 DGEERO C[NH+]=C(NCc1ncccc1C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261781856 273482451 /nfs/dbraw/zinc/48/24/51/273482451.db2.gz PKNPSWSDQOGYRS-HXUWFJFHSA-N 1 0 322.456 3.129 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000186689981 273486868 /nfs/dbraw/zinc/48/68/68/273486868.db2.gz JUTWJDGJFSQFFA-GJZGRUSLSA-N 1 0 304.434 3.054 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000245465413 279181019 /nfs/dbraw/zinc/18/10/19/279181019.db2.gz QDMGVMPYHTYGQZ-AYOQOUSVSA-N 1 0 324.428 3.447 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000245544880 279181340 /nfs/dbraw/zinc/18/13/40/279181340.db2.gz STYPWLLSOCBLHC-FHLIZLRMSA-N 1 0 300.402 3.121 10 30 DGEERO C=CCC[C@H](C[N@@H+](C)Cc1cnccn1)Oc1ccnc(C)c1 ZINC000072481132 431336134 /nfs/dbraw/zinc/33/61/34/431336134.db2.gz PLBJBCITRJYZSZ-GOSISDBHSA-N 1 0 312.417 3.026 10 30 DGEERO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C)c(OC)c1 ZINC000114475281 431389579 /nfs/dbraw/zinc/38/95/79/431389579.db2.gz IYWRALUOISOTJG-ZBFHGGJFSA-N 1 0 321.461 3.188 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000076733801 431561083 /nfs/dbraw/zinc/56/10/83/431561083.db2.gz ZOMZXGOKZPITOI-UHFFFAOYSA-N 1 0 301.434 3.123 10 30 DGEERO Cc1cc(C#N)cc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000342822944 280314128 /nfs/dbraw/zinc/31/41/28/280314128.db2.gz GGWDBKLXCIKBEE-KRWDZBQOSA-N 1 0 320.440 3.363 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000077541932 431608241 /nfs/dbraw/zinc/60/82/41/431608241.db2.gz NRYLKMBWKLKPRE-MRXNPFEDSA-N 1 0 319.449 3.414 10 30 DGEERO N#CCCCC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000120082403 431721869 /nfs/dbraw/zinc/72/18/69/431721869.db2.gz HFPZTALSLYJPLA-UHFFFAOYSA-N 1 0 309.816 3.291 10 30 DGEERO C=C(C)COc1cc(C[NH+]2CCC([C@@H](C)O)CC2)ccc1OC ZINC000092971038 431912210 /nfs/dbraw/zinc/91/22/10/431912210.db2.gz ZQYZOXUSEQJWBR-OAHLLOKOSA-N 1 0 319.445 3.243 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CCC)C2)c1 ZINC000124268823 431887884 /nfs/dbraw/zinc/88/78/84/431887884.db2.gz VEWKNXXZMFJCQZ-QGZVFWFLSA-N 1 0 316.445 3.132 10 30 DGEERO COc1cc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)ccc1F ZINC000090106844 431890086 /nfs/dbraw/zinc/89/00/86/431890086.db2.gz MJMCKLPNBZUHFZ-ZDUSSCGKSA-N 1 0 314.360 3.436 10 30 DGEERO C=C(C)COc1cc(CN2CCC([NH+](C)C)CC2)ccc1OC ZINC000091672215 431904986 /nfs/dbraw/zinc/90/49/86/431904986.db2.gz FFAOUIUCNZCIHR-UHFFFAOYSA-N 1 0 318.461 3.176 10 30 DGEERO COc1ccc(C#N)cc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000127710240 431979117 /nfs/dbraw/zinc/97/91/17/431979117.db2.gz AQVNARMFWRGDKT-IRXDYDNUSA-N 1 0 310.401 3.037 10 30 DGEERO N#Cc1cccnc1N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000101543846 431985367 /nfs/dbraw/zinc/98/53/67/431985367.db2.gz DCSFLSIOJNVDLO-LJQANCHMSA-N 1 0 318.424 3.153 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000128213077 431989668 /nfs/dbraw/zinc/98/96/68/431989668.db2.gz QVFKFCFVXNDIQN-UHFFFAOYSA-N 1 0 311.429 3.004 10 30 DGEERO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000248570402 432302035 /nfs/dbraw/zinc/30/20/35/432302035.db2.gz QNROQMQWWBVMEU-SUMWQHHRSA-N 1 0 305.853 3.374 10 30 DGEERO CCN(C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)CC(F)(F)F ZINC000192055372 432329499 /nfs/dbraw/zinc/32/94/99/432329499.db2.gz NRDVCLKMXIWRAO-KRWDZBQOSA-N 1 0 324.390 3.244 10 30 DGEERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(OCC#N)cc1 ZINC000248717723 432313120 /nfs/dbraw/zinc/31/31/20/432313120.db2.gz LADXDQLRWZOYCT-LIRZEXBASA-N 1 0 312.413 3.197 10 30 DGEERO C#CCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000248741575 432315865 /nfs/dbraw/zinc/31/58/65/432315865.db2.gz DROYADBBXMNHKW-NVXWUHKLSA-N 1 0 304.821 3.005 10 30 DGEERO Cc1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1Cl ZINC000184334207 432379890 /nfs/dbraw/zinc/37/98/90/432379890.db2.gz DILVYTVVFIYWKN-UHFFFAOYSA-N 1 0 310.788 3.458 10 30 DGEERO COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192784991 432414248 /nfs/dbraw/zinc/41/42/48/432414248.db2.gz ZEERRYVLPSOVIW-NVXWUHKLSA-N 1 0 313.445 3.336 10 30 DGEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000154093758 432472040 /nfs/dbraw/zinc/47/20/40/432472040.db2.gz QXJUSIBDBBBKRQ-APWZRJJASA-N 1 0 315.461 3.187 10 30 DGEERO C=CCCCCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000193433640 432472511 /nfs/dbraw/zinc/47/25/11/432472511.db2.gz SCLSVGNTPJDCEK-UHFFFAOYSA-N 1 0 312.408 3.142 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(C(F)F)cc3)n2c1 ZINC000185181636 432475174 /nfs/dbraw/zinc/47/51/74/432475174.db2.gz AMJAIEGWMYXPRD-UHFFFAOYSA-N 1 0 312.323 3.433 10 30 DGEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C(F)(F)F ZINC000262302496 432480085 /nfs/dbraw/zinc/48/00/85/432480085.db2.gz OSOPJSCKBYBYSQ-LNSITVRQSA-N 1 0 309.335 3.141 10 30 DGEERO COc1cc(NCc2cnc3ccc(C#N)cn23)ccc1Cl ZINC000193680842 432490274 /nfs/dbraw/zinc/49/02/74/432490274.db2.gz QTKFIHKABVNYGZ-UHFFFAOYSA-N 1 0 312.760 3.480 10 30 DGEERO C=CCOc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000176324379 432512169 /nfs/dbraw/zinc/51/21/69/432512169.db2.gz PPACZMSZTXFPRS-MRXNPFEDSA-N 1 0 317.433 3.199 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194457256 432552504 /nfs/dbraw/zinc/55/25/04/432552504.db2.gz XQHUNQYPHQCHPJ-SFHVURJKSA-N 1 0 315.461 3.116 10 30 DGEERO CCO[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000194470329 432553910 /nfs/dbraw/zinc/55/39/10/432553910.db2.gz RQDVUURNWYPFBL-GOSISDBHSA-N 1 0 320.396 3.073 10 30 DGEERO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000186317828 432581417 /nfs/dbraw/zinc/58/14/17/432581417.db2.gz JBLBEKPKNNSXDU-CQSZACIVSA-N 1 0 308.381 3.489 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186700481 432624212 /nfs/dbraw/zinc/62/42/12/432624212.db2.gz NUCGRGQYFCYPSJ-GOEBONIOSA-N 1 0 306.425 3.404 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000186713842 432625595 /nfs/dbraw/zinc/62/55/95/432625595.db2.gz BRNZVZPXBMYORD-WFASDCNBSA-N 1 0 319.836 3.422 10 30 DGEERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000160001199 432703480 /nfs/dbraw/zinc/70/34/80/432703480.db2.gz PIFMXHZHMRQYNA-KRWDZBQOSA-N 1 0 324.428 3.254 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000188457639 432727313 /nfs/dbraw/zinc/72/73/13/432727313.db2.gz CCNLCNPVPITVSG-GXSJLCMTSA-N 1 0 302.187 3.176 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000161748372 432796513 /nfs/dbraw/zinc/79/65/13/432796513.db2.gz PNLOYVBASHHHOO-OAHLLOKOSA-N 1 0 313.445 3.109 10 30 DGEERO C=CCCC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000279056849 432930556 /nfs/dbraw/zinc/93/05/56/432930556.db2.gz DWBLFUCBZBFWKZ-UHFFFAOYSA-N 1 0 300.196 3.219 10 30 DGEERO C=C(C)C[C@H](C)c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000289951946 432981448 /nfs/dbraw/zinc/98/14/48/432981448.db2.gz BLYUXEHAJUJDLC-ZDUSSCGKSA-N 1 0 316.405 3.142 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000298059274 433043969 /nfs/dbraw/zinc/04/39/69/433043969.db2.gz DWXUUGYSQDZDSB-GJZGRUSLSA-N 1 0 304.434 3.159 10 30 DGEERO C=CCC[C@H](CO)[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453352102 433111377 /nfs/dbraw/zinc/11/13/77/433111377.db2.gz KVXXRYHFZADFAR-CRAIPNDOSA-N 1 0 311.429 3.166 10 30 DGEERO C=CC[C@@H](CC)NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000374278542 433182643 /nfs/dbraw/zinc/18/26/43/433182643.db2.gz QWSHFULIMXBNSK-MRXNPFEDSA-N 1 0 301.434 3.077 10 30 DGEERO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000374326788 433186582 /nfs/dbraw/zinc/18/65/82/433186582.db2.gz GNEJIWAEPPJHPZ-UHFFFAOYSA-N 1 0 304.393 3.362 10 30 DGEERO C[C@H](NCC[N@@H+]1CCCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000447576809 433235577 /nfs/dbraw/zinc/23/55/77/433235577.db2.gz CKLUTSGMIQYXBU-AWEZNQCLSA-N 1 0 303.425 3.470 10 30 DGEERO C=CCCC[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000448027064 433350055 /nfs/dbraw/zinc/35/00/55/433350055.db2.gz LERSRDOIRXIUGB-HNNXBMFYSA-N 1 0 314.429 3.397 10 30 DGEERO C=CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000448029549 433352384 /nfs/dbraw/zinc/35/23/84/433352384.db2.gz HZSOFGSTEMYGJM-GOSISDBHSA-N 1 0 315.461 3.259 10 30 DGEERO C=CCCCNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000447990469 433341092 /nfs/dbraw/zinc/34/10/92/433341092.db2.gz RUJGXQFEAJCSTC-WBVHZDCISA-N 1 0 301.434 3.087 10 30 DGEERO C=CCCCNC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000448385427 433402540 /nfs/dbraw/zinc/40/25/40/433402540.db2.gz SPOLGIMQXCYEJS-UHFFFAOYSA-N 1 0 303.450 3.034 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NCC2CCCCCC2)CC1 ZINC000454466963 433437216 /nfs/dbraw/zinc/43/72/16/433437216.db2.gz QPRCKIHNQIAZOP-UHFFFAOYSA-N 1 0 307.482 3.297 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NC2CC(C(C)(C)C)C2)CC1 ZINC000454462801 433439178 /nfs/dbraw/zinc/43/91/78/433439178.db2.gz KUZSAGSLBIXDJP-UHFFFAOYSA-N 1 0 307.482 3.151 10 30 DGEERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(OCC#N)cc1 ZINC000245964496 290033076 /nfs/dbraw/zinc/03/30/76/290033076.db2.gz YVOJXXRYNURIHO-WBQNTZJQSA-N 1 0 300.402 3.053 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000355658717 433553912 /nfs/dbraw/zinc/55/39/12/433553912.db2.gz MBAHSFOYENPPPR-PKOBYXMFSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2CCO[C@@H](CC)C2)cc(OC)c1O ZINC000421395154 433542687 /nfs/dbraw/zinc/54/26/87/433542687.db2.gz YHVOLSACMXSHLM-CVEARBPZSA-N 1 0 305.418 3.177 10 30 DGEERO N#Cc1ccc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000301535839 433598762 /nfs/dbraw/zinc/59/87/62/433598762.db2.gz TYZLEFWBKGIGLU-IBGZPJMESA-N 1 0 306.413 3.420 10 30 DGEERO Cc1cc(NCCCC[NH+]2CCC(C)CC2)c(C#N)c(C)n1 ZINC000301802995 433731943 /nfs/dbraw/zinc/73/19/43/433731943.db2.gz WRGIAHRGKGEJEX-UHFFFAOYSA-N 1 0 300.450 3.494 10 30 DGEERO C=CCC[C@H](CO)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000449700997 433761727 /nfs/dbraw/zinc/76/17/27/433761727.db2.gz VFFBQEWVMXRVSB-MRXNPFEDSA-N 1 0 305.418 3.059 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000284565411 433896989 /nfs/dbraw/zinc/89/69/89/433896989.db2.gz YOIVLFQBEHFZRX-RHSMWYFYSA-N 1 0 304.434 3.016 10 30 DGEERO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000285100012 433920102 /nfs/dbraw/zinc/92/01/02/433920102.db2.gz LTKZOBPROUFCSN-LPHOPBHVSA-N 1 0 306.409 3.238 10 30 DGEERO C[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(C)C#N)[C@@H]1c1cccs1 ZINC000377461800 433884993 /nfs/dbraw/zinc/88/49/93/433884993.db2.gz BNCMIKUIRUGTRS-XJKSGUPXSA-N 1 0 319.474 3.187 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([NH3+])[C@@H]1c1ccccc1OC ZINC000457357820 434122048 /nfs/dbraw/zinc/12/20/48/434122048.db2.gz BNPZCFIWRPXYOZ-ZVZYQTTQSA-N 1 0 316.445 3.288 10 30 DGEERO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328685625 434298452 /nfs/dbraw/zinc/29/84/52/434298452.db2.gz FSEQVJCYWFENAK-NVXWUHKLSA-N 1 0 318.465 3.445 10 30 DGEERO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328690212 434302151 /nfs/dbraw/zinc/30/21/51/434302151.db2.gz IIKSHQZZIVWUIQ-ODZFXCKXSA-N 1 0 318.465 3.444 10 30 DGEERO C[C@@H](N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358555418 434396083 /nfs/dbraw/zinc/39/60/83/434396083.db2.gz KYGNYSGTEYSUEM-QLFBSQMISA-N 1 0 303.425 3.468 10 30 DGEERO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596876 434398978 /nfs/dbraw/zinc/39/89/78/434398978.db2.gz WIUQAANHGHDVBI-HOCLYGCPSA-N 1 0 303.425 3.468 10 30 DGEERO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596878 434400122 /nfs/dbraw/zinc/40/01/22/434400122.db2.gz WIUQAANHGHDVBI-ZBFHGGJFSA-N 1 0 303.425 3.468 10 30 DGEERO C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000359252370 434416137 /nfs/dbraw/zinc/41/61/37/434416137.db2.gz LGCCZXVVCKZGOA-BZUAXINKSA-N 1 0 317.481 3.041 10 30 DGEERO CN(c1ccncc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000399461381 434479724 /nfs/dbraw/zinc/47/97/24/434479724.db2.gz RGBLAQGENQFDLB-SFHVURJKSA-N 1 0 306.413 3.054 10 30 DGEERO C=CCC[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417906591 434545248 /nfs/dbraw/zinc/54/52/48/434545248.db2.gz CDUJSGGULSGKRN-MSOLQXFVSA-N 1 0 313.445 3.230 10 30 DGEERO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CCCC1 ZINC000459051501 434555022 /nfs/dbraw/zinc/55/50/22/434555022.db2.gz ORUNUPQCYWAUMY-INIZCTEOSA-N 1 0 305.466 3.001 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2ncnc3c2CCCCC3)CC1 ZINC000439104494 434565026 /nfs/dbraw/zinc/56/50/26/434565026.db2.gz ADJHDLPUEHPRDO-UHFFFAOYSA-N 1 0 300.450 3.198 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000424173418 434644042 /nfs/dbraw/zinc/64/40/42/434644042.db2.gz PVPYELVATMFGOV-QAETUUGQSA-N 1 0 309.450 3.069 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000424177506 434647459 /nfs/dbraw/zinc/64/74/59/434647459.db2.gz UFPUZPMLSYQBDK-FZMZJTMJSA-N 1 0 314.198 3.269 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708264 434672702 /nfs/dbraw/zinc/67/27/02/434672702.db2.gz ROGOJBQEPWHTMC-MRXNPFEDSA-N 1 0 312.457 3.347 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000424295922 434684067 /nfs/dbraw/zinc/68/40/67/434684067.db2.gz NTCFNSXMQIRBHM-GLQYFDAESA-N 1 0 313.800 3.347 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000424299584 434684874 /nfs/dbraw/zinc/68/48/74/434684874.db2.gz VQJUPWUWWFDVHD-JQHSSLGASA-N 1 0 307.409 3.474 10 30 DGEERO C=CCC1(C(=O)NCCCCC[NH+]2CCCCC2)CCOCC1 ZINC000424670996 434775636 /nfs/dbraw/zinc/77/56/36/434775636.db2.gz WOJVELALPONWSY-UHFFFAOYSA-N 1 0 322.493 3.132 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361057804 434780634 /nfs/dbraw/zinc/78/06/34/434780634.db2.gz BRKCHVMDCURPNI-UHFFFAOYSA-N 1 0 311.429 3.154 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000412043190 434861641 /nfs/dbraw/zinc/86/16/41/434861641.db2.gz PMQQOLSJUADGJU-PKOBYXMFSA-N 1 0 316.420 3.028 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000412043188 434861655 /nfs/dbraw/zinc/86/16/55/434861655.db2.gz PMQQOLSJUADGJU-MJGOQNOKSA-N 1 0 316.420 3.028 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000573229022 434884271 /nfs/dbraw/zinc/88/42/71/434884271.db2.gz OHAIVVOGIDOAFS-IPMKNSEASA-N 1 0 300.446 3.214 10 30 DGEERO C=CC[N@@H+](CCc1ccco1)Cc1cc2ccccc2n(C)c1=O ZINC000573456019 434900940 /nfs/dbraw/zinc/90/09/40/434900940.db2.gz UNUMBEYHRGGQFF-UHFFFAOYSA-N 1 0 322.408 3.362 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)NCC[C@H]2CCCC2(C)C)CC1 ZINC000527768311 435015086 /nfs/dbraw/zinc/01/50/86/435015086.db2.gz KZNHJLNPXYJYJW-OAHLLOKOSA-N 1 0 307.482 3.152 10 30 DGEERO C=CCc1cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc(OC)c1O ZINC000527804175 435015645 /nfs/dbraw/zinc/01/56/45/435015645.db2.gz NINAYEULXXXQKU-XREXNNHRSA-N 1 0 305.418 3.031 10 30 DGEERO C=C(CC)C[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000528714385 435027989 /nfs/dbraw/zinc/02/79/89/435027989.db2.gz GXTSCQDPEXCRAW-UHFFFAOYSA-N 1 0 319.449 3.184 10 30 DGEERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C12CCCC2 ZINC000574681681 434995621 /nfs/dbraw/zinc/99/56/21/434995621.db2.gz XKTWBDKDAWBMTM-ZWKOTPCHSA-N 1 0 314.429 3.394 10 30 DGEERO Cc1ccc(NC(=O)Cc2cccc(C#N)c2)c(C[NH+](C)C)c1 ZINC000531146535 435075251 /nfs/dbraw/zinc/07/52/51/435075251.db2.gz BYDMQDBLPKFISI-UHFFFAOYSA-N 1 0 307.397 3.110 10 30 DGEERO C=C(C)[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(F)c(F)c1 ZINC000557175526 435047366 /nfs/dbraw/zinc/04/73/66/435047366.db2.gz NFLXQQCXLJFLCC-CJNGLKHVSA-N 1 0 323.387 3.023 10 30 DGEERO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]3C3CCC3)C2=O)cc1 ZINC000558695893 435106580 /nfs/dbraw/zinc/10/65/80/435106580.db2.gz IOVXNJSYOQZSCI-OTWHNJEPSA-N 1 0 323.440 3.222 10 30 DGEERO C=CCOc1ccccc1C[NH2+]CCc1nn(C)c2ccccc12 ZINC000479423504 435331931 /nfs/dbraw/zinc/33/19/31/435331931.db2.gz PWNTXZOJDXYFME-UHFFFAOYSA-N 1 0 321.424 3.470 10 30 DGEERO C=CCOc1ccccc1CNCC(C)(C)C[NH+]1CCCC1 ZINC000480930615 435400955 /nfs/dbraw/zinc/40/09/55/435400955.db2.gz FAMFRVZTFSATMH-UHFFFAOYSA-N 1 0 302.462 3.463 10 30 DGEERO C=CCCCCCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000568245785 435413447 /nfs/dbraw/zinc/41/34/47/435413447.db2.gz YHMSWUGUGVXXHV-KRWDZBQOSA-N 1 0 301.434 3.001 10 30 DGEERO C=CCC[C@H](O)C[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537176344 435428871 /nfs/dbraw/zinc/42/88/71/435428871.db2.gz CLFSBUFAYRFPDS-HNNXBMFYSA-N 1 0 324.262 3.443 10 30 DGEERO COc1ccccc1OCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000540976220 435629268 /nfs/dbraw/zinc/62/92/68/435629268.db2.gz XTCOPSSKTBSJPG-CYBMUJFWSA-N 1 0 314.360 3.436 10 30 DGEERO C=CCC[C@@H](CC)[NH2+]C[C@@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000570631848 435637109 /nfs/dbraw/zinc/63/71/09/435637109.db2.gz RSXUCMIFKFHGIZ-SJLPKXTDSA-N 1 0 320.452 3.373 10 30 DGEERO C=CC[C@H](CO)C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000540395892 435599127 /nfs/dbraw/zinc/59/91/27/435599127.db2.gz CBDQKBZLLBKRRC-CVEARBPZSA-N 1 0 318.461 3.301 10 30 DGEERO C=CCC[C@H](CC)[NH2+]C[C@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000570631849 435637498 /nfs/dbraw/zinc/63/74/98/435637498.db2.gz RSXUCMIFKFHGIZ-WMZOPIPTSA-N 1 0 320.452 3.373 10 30 DGEERO CC1CC[NH+]([C@H](CN=c2cc[nH]cc2C#N)c2ccccc2)CC1 ZINC000548154527 435673695 /nfs/dbraw/zinc/67/36/95/435673695.db2.gz ZCNMBWKUSRKHNQ-HXUWFJFHSA-N 1 0 320.440 3.260 10 30 DGEERO CCC[C@H]1CN(c2ccncc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000548490418 435698765 /nfs/dbraw/zinc/69/87/65/435698765.db2.gz VKBQILWLLUJKAB-IBGZPJMESA-N 1 0 320.440 3.444 10 30 DGEERO C/C(=C/c1ccccc1)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546260456 314298711 /nfs/dbraw/zinc/29/87/11/314298711.db2.gz JHNHHTDHPFYFMB-VKAVYKQESA-N 1 0 318.424 3.179 10 30 DGEERO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1cccc(C#N)c1 ZINC000181547175 323258807 /nfs/dbraw/zinc/25/88/07/323258807.db2.gz ZCKCVTUTKZBPSJ-UZLBHIALSA-N 1 0 307.441 3.382 10 30 DGEERO COc1ccc([C@@H](C)[NH2+]CCOc2ccccc2C#N)cc1F ZINC000182031265 323280310 /nfs/dbraw/zinc/28/03/10/323280310.db2.gz JCYVJBNBJQAWEG-CYBMUJFWSA-N 1 0 314.360 3.436 10 30 DGEERO COc1ccc([C@H](C)C[NH2+]CCOc2ccc(C#N)cc2)cc1 ZINC000182480662 323301361 /nfs/dbraw/zinc/30/13/61/323301361.db2.gz BSXVQEMJCHLGPI-OAHLLOKOSA-N 1 0 310.397 3.339 10 30 DGEERO C=CCCCCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000566434391 332407388 /nfs/dbraw/zinc/40/73/88/332407388.db2.gz UNGYSGIHMRDWBJ-QGZVFWFLSA-N 1 0 307.482 3.393 10 30 DGEERO CC#CCCCc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000582028750 333173283 /nfs/dbraw/zinc/17/32/83/333173283.db2.gz GTKPGFSIYAQBIF-UHFFFAOYSA-N 1 0 301.365 3.283 10 30 DGEERO C=CC[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000188530157 333371866 /nfs/dbraw/zinc/37/18/66/333371866.db2.gz LQOMNSPZZUPOMN-NJAFHUGGSA-N 1 0 300.446 3.191 10 30 DGEERO C#Cc1ccc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)cc1 ZINC000368015937 336834720 /nfs/dbraw/zinc/83/47/20/336834720.db2.gz JNFSLPCDFXZIGI-MRXNPFEDSA-N 1 0 311.816 3.085 10 30 DGEERO CCCCCCCCCNC(=O)[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC000584595903 337374023 /nfs/dbraw/zinc/37/40/23/337374023.db2.gz JSYWHBXTAMKDPF-SFHVURJKSA-N 1 0 320.477 3.432 10 30 DGEERO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000077465993 337580513 /nfs/dbraw/zinc/58/05/13/337580513.db2.gz AMJVXIRZLKVPLM-SJLPKXTDSA-N 1 0 302.418 3.010 10 30 DGEERO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CCc2ccccc2)C1=O ZINC000499594414 340040152 /nfs/dbraw/zinc/04/01/52/340040152.db2.gz SVYYRSWQXATZSL-RTBURBONSA-N 1 0 312.457 3.261 10 30 DGEERO C=CC[C@H]1N(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCCC1(C)C ZINC000529350365 340753244 /nfs/dbraw/zinc/75/32/44/340753244.db2.gz DFOKIBYPIQXDQY-LSDHHAIUSA-N 1 0 305.466 3.047 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2Cc3ccccc3[C@H]2C)CC1 ZINC000543972543 341064660 /nfs/dbraw/zinc/06/46/60/341064660.db2.gz VTJJFSHSEBNZQV-OAHLLOKOSA-N 1 0 313.445 3.313 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000567662837 341625569 /nfs/dbraw/zinc/62/55/69/341625569.db2.gz UBUIENRXFJYHGX-IFIJOSMWSA-N 1 0 314.429 3.158 10 30 DGEERO COc1cc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)ccc1C#N ZINC000442879622 533792233 /nfs/dbraw/zinc/79/22/33/533792233.db2.gz JHFWZFWLEQRLOE-AWEZNQCLSA-N 1 0 310.397 3.335 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Cl)c1 ZINC000330273264 534009692 /nfs/dbraw/zinc/00/96/92/534009692.db2.gz YXOKGTWRWOZXRM-LKTVYLICSA-N 1 0 308.809 3.474 10 30 DGEERO C=CCCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000520501515 517325114 /nfs/dbraw/zinc/32/51/14/517325114.db2.gz ZFZCANNMBGULSN-GOSISDBHSA-N 1 0 315.461 3.397 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+]CCCCCO)cc1OC ZINC000013727183 519004648 /nfs/dbraw/zinc/00/46/48/519004648.db2.gz WUFJOQFTECTZGY-UHFFFAOYSA-N 1 0 313.825 3.166 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1OCC ZINC000022936363 519034489 /nfs/dbraw/zinc/03/44/89/519034489.db2.gz XWASYAIQQGKJOW-QGZVFWFLSA-N 1 0 318.461 3.224 10 30 DGEERO C=C(CC)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000455516944 534409637 /nfs/dbraw/zinc/40/96/37/534409637.db2.gz DELGSHYXKGQBQY-GOEBONIOSA-N 1 0 321.490 3.396 10 30 DGEERO Cc1ccc[n+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000160077826 534547637 /nfs/dbraw/zinc/54/76/37/534547637.db2.gz MKCIBDWUAFLQMS-OAHLLOKOSA-N 1 0 305.760 3.053 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+]Cc1nn(C)cc1Br ZINC000449483055 534695749 /nfs/dbraw/zinc/69/57/49/534695749.db2.gz FZFZYIVQJUPLAP-LLVKDONJSA-N 1 0 300.244 3.407 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000449253121 534696586 /nfs/dbraw/zinc/69/65/86/534696586.db2.gz UKEMTXXBHAYMCC-OAHLLOKOSA-N 1 0 321.440 3.282 10 30 DGEERO C=CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454878942 534726775 /nfs/dbraw/zinc/72/67/75/534726775.db2.gz UNDAGUGCENCRKH-KRWDZBQOSA-N 1 0 315.461 3.116 10 30 DGEERO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000318446091 534784090 /nfs/dbraw/zinc/78/40/90/534784090.db2.gz OWZQPKJOGIRRQU-NXHRZFHOSA-N 1 0 302.393 3.213 10 30 DGEERO C=CCOc1ccc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000449350494 534883023 /nfs/dbraw/zinc/88/30/23/534883023.db2.gz ZMXCQAKOPOLEHT-MRXNPFEDSA-N 1 0 300.446 3.168 10 30 DGEERO C[NH+]=C(NCC1CCC1)NCC1CCC(C(F)(F)F)CC1 ZINC000262399308 526351614 /nfs/dbraw/zinc/35/16/14/526351614.db2.gz NJNFBLFTDDIRLU-UHFFFAOYSA-N 1 0 305.388 3.320 10 30 DGEERO C[NH+]=C(NCC1CC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261952735 526351803 /nfs/dbraw/zinc/35/18/03/526351803.db2.gz HVCQINXVUSQCAC-MRXNPFEDSA-N 1 0 313.445 3.398 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cc(C)cc(C)c2)CC1 ZINC000433904803 526423260 /nfs/dbraw/zinc/42/32/60/526423260.db2.gz UVTLEYMIZPNVOG-UHFFFAOYSA-N 1 0 315.461 3.095 10 30 DGEERO C=CCN1CCC([NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337503731 526453986 /nfs/dbraw/zinc/45/39/86/526453986.db2.gz DBXWACLIVIEVLZ-OAHLLOKOSA-N 1 0 302.466 3.299 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443329725 526541248 /nfs/dbraw/zinc/54/12/48/526541248.db2.gz BUAGNGGVKBDILY-INIZCTEOSA-N 1 0 322.493 3.223 10 30 DGEERO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCO[C@H](CC)C1 ZINC000348639806 526559951 /nfs/dbraw/zinc/55/99/51/526559951.db2.gz ZMCGMXJNRCGPHU-HZPDHXFCSA-N 1 0 307.434 3.355 10 30 DGEERO C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000352542979 526621354 /nfs/dbraw/zinc/62/13/54/526621354.db2.gz ASJWEJPMSNLXCE-CXAGYDPISA-N 1 0 322.399 3.239 10 30 DGEERO C=C(C)COc1cc(C[N@H+](C)C[C@H]2CCCO2)ccc1OC ZINC000128125135 526658984 /nfs/dbraw/zinc/65/89/84/526658984.db2.gz ISXJWJPWQZPLPC-MRXNPFEDSA-N 1 0 305.418 3.261 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1OC ZINC000412584154 526703209 /nfs/dbraw/zinc/70/32/09/526703209.db2.gz WTSIGWBFXSORBH-CQSZACIVSA-N 1 0 320.433 3.176 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000185224202 526705884 /nfs/dbraw/zinc/70/58/84/526705884.db2.gz AANXPJKRTBJRDG-HNNXBMFYSA-N 1 0 306.425 3.318 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000185466831 526712025 /nfs/dbraw/zinc/71/20/25/526712025.db2.gz JPXOQCOKDIRSEF-INIZCTEOSA-N 1 0 318.461 3.236 10 30 DGEERO C=CCOCC[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000338893502 526772089 /nfs/dbraw/zinc/77/20/89/526772089.db2.gz FEWBYCRUYFQNCE-OAHLLOKOSA-N 1 0 308.853 3.221 10 30 DGEERO C=CCOc1ccc(C[N@@H+](C[C@H](C)C(=O)OC)C2CC2)cc1 ZINC000357217642 526863038 /nfs/dbraw/zinc/86/30/38/526863038.db2.gz VFEVRVVEAMCWGH-AWEZNQCLSA-N 1 0 303.402 3.025 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC[C@H](OC)C(F)(F)F)cc1 ZINC000344814294 526885353 /nfs/dbraw/zinc/88/53/53/526885353.db2.gz OONGYXVVZJKEJF-AWEZNQCLSA-N 1 0 303.324 3.308 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)cc1 ZINC000345840219 526891043 /nfs/dbraw/zinc/89/10/43/526891043.db2.gz HSTCYBFUNGXLTA-KGLIPLIRSA-N 1 0 303.324 3.043 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000355202350 526934248 /nfs/dbraw/zinc/93/42/48/526934248.db2.gz CTQSFRMXZGGGGY-FUHWJXTLSA-N 1 0 300.446 3.168 10 30 DGEERO C=CC[NH+]=C(NCCc1ccco1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000154335717 526957119 /nfs/dbraw/zinc/95/71/19/526957119.db2.gz LIUMCRDKESXWBK-IYBDPMFKSA-N 1 0 301.434 3.076 10 30 DGEERO C=CCCC[N@@H+](C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000441381377 527192310 /nfs/dbraw/zinc/19/23/10/527192310.db2.gz LYSKDZICCXFPKB-UHFFFAOYSA-N 1 0 311.809 3.403 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000349750901 527210718 /nfs/dbraw/zinc/21/07/18/527210718.db2.gz XSVSONRFXOPWKC-GXSJLCMTSA-N 1 0 302.187 3.176 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000349835116 527211233 /nfs/dbraw/zinc/21/12/33/527211233.db2.gz OPAPLYYJCLYATG-RHSMWYFYSA-N 1 0 319.449 3.148 10 30 DGEERO C=CC[C@H]1[N@H+](Cc2ccc(C(=O)OC)cn2)CCCC1(C)C ZINC000352405313 527226366 /nfs/dbraw/zinc/22/63/66/527226366.db2.gz HFDBNDJKWBRJEF-MRXNPFEDSA-N 1 0 302.418 3.435 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)NC1CC[NH2+]CC1 ZINC000415578733 527258794 /nfs/dbraw/zinc/25/87/94/527258794.db2.gz JAJLGDKUZYEIFZ-UHFFFAOYSA-N 1 0 301.434 3.412 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000415581649 527259088 /nfs/dbraw/zinc/25/90/88/527259088.db2.gz NUSLKNOSASKFOB-MRXNPFEDSA-N 1 0 301.434 3.397 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000415580317 527259371 /nfs/dbraw/zinc/25/93/71/527259371.db2.gz LSFJECXPCIEMJV-OAHLLOKOSA-N 1 0 301.434 3.364 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000340761809 527274427 /nfs/dbraw/zinc/27/44/27/527274427.db2.gz SECUFHISEHFKAO-AWEZNQCLSA-N 1 0 322.399 3.467 10 30 DGEERO CCC[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[NH+](C)C ZINC000161665892 527988357 /nfs/dbraw/zinc/98/83/57/527988357.db2.gz OMTMXCFNUALDTG-MRXNPFEDSA-N 1 0 303.406 3.038 10 30 DGEERO CC(C)c1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)cc1 ZINC000179362903 528140316 /nfs/dbraw/zinc/14/03/16/528140316.db2.gz IZAWMJFSYFMMEJ-HNNXBMFYSA-N 1 0 301.434 3.223 10 30 DGEERO CCOC[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177366661 528937523 /nfs/dbraw/zinc/93/75/23/528937523.db2.gz RITPJUJNXLSTEA-OAHLLOKOSA-N 1 0 311.347 3.415 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]([NH3+])C(C)C ZINC000136376533 545981694 /nfs/dbraw/zinc/98/16/94/545981694.db2.gz IKFOCIADGVFVBJ-LBPRGKRZSA-N 1 0 300.855 3.290 10 30 DGEERO COc1ccc2c(c1)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)CC2 ZINC000181154811 546154453 /nfs/dbraw/zinc/15/44/53/546154453.db2.gz AWASAVUBESZNJR-IBGZPJMESA-N 1 0 308.381 3.223 10 30 DGEERO CCC(C#N)(CC)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390796835 546755630 /nfs/dbraw/zinc/75/56/30/546755630.db2.gz KFPFTLJGWKYBPS-KRWDZBQOSA-N 1 0 313.445 3.049 10 30 DGEERO C=CCCOCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000734298961 574655191 /nfs/dbraw/zinc/65/51/91/574655191.db2.gz NBKOKGXKEVLLHG-SFHVURJKSA-N 1 0 317.429 3.035 10 30 DGEERO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCCO1 ZINC000735308321 574696559 /nfs/dbraw/zinc/69/65/59/574696559.db2.gz HEPJDFVTZOBBFO-HNNXBMFYSA-N 1 0 308.809 3.243 10 30 DGEERO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735310967 574696883 /nfs/dbraw/zinc/69/68/83/574696883.db2.gz JILXUBWGQXKMHH-HZPDHXFCSA-N 1 0 322.836 3.368 10 30 DGEERO C=CCCC(=O)OC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000735902271 574721500 /nfs/dbraw/zinc/72/15/00/574721500.db2.gz DHKHRWYYYFAOHK-YJBOKZPZSA-N 1 0 303.402 3.197 10 30 DGEERO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154749506 620714756 /nfs/dbraw/zinc/71/47/56/620714756.db2.gz OKHJKYVGEHDJLZ-HNNXBMFYSA-N 1 0 309.413 3.010 10 30 DGEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000119301694 618624507 /nfs/dbraw/zinc/62/45/07/618624507.db2.gz QIPRWKAPKFRGTF-JKSUJKDBSA-N 1 0 306.409 3.142 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)c1cccc(OC)c1 ZINC000121303424 619044129 /nfs/dbraw/zinc/04/41/29/619044129.db2.gz HCOADECFKRULHH-CVEARBPZSA-N 1 0 317.429 3.076 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1csc(CC(C)C)n1 ZINC000121304400 619045469 /nfs/dbraw/zinc/04/54/69/619045469.db2.gz DSUGRRBPOFAZQO-CQSZACIVSA-N 1 0 322.474 3.232 10 30 DGEERO C#CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119742364 621721539 /nfs/dbraw/zinc/72/15/39/621721539.db2.gz ZJNXIEAVNVWNFP-LJQANCHMSA-N 1 0 312.457 3.351 10 30 DGEERO CC(C)C[N@@H+]1CCC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000129621465 625707268 /nfs/dbraw/zinc/70/72/68/625707268.db2.gz KBORDPMMLDRLQG-MLHZQLSASA-N 1 0 311.429 3.480 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H](C)CC1 ZINC000131105226 625944177 /nfs/dbraw/zinc/94/41/77/625944177.db2.gz NQWDJRYLMLHLPP-CQSZACIVSA-N 1 0 309.417 3.205 10 30 DGEERO [NH2+]=C(NC1CC(c2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000083052523 660249740 /nfs/dbraw/zinc/24/97/40/660249740.db2.gz GWJKTKYEHYQRFK-HTWSVDAQSA-N 1 0 321.424 3.361 10 30 DGEERO C[C@@](O)(C[NH2+][C@@H]1CCCC(F)(F)C1)C(F)(F)C(F)(F)F ZINC000724107326 655742058 /nfs/dbraw/zinc/74/20/58/655742058.db2.gz ZQUQXUGFAYBLEA-HTQZYQBOSA-N 1 0 311.241 3.103 10 30 DGEERO C(#Cc1ccccc1)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745443 655880281 /nfs/dbraw/zinc/88/02/81/655880281.db2.gz UCPGHETWXSWXNX-OAQYLSRUSA-N 1 0 304.437 3.150 10 30 DGEERO CCOc1ccc(O)c(/C=N\CCc2ncc(CC)s2)c1 ZINC000255670595 655888860 /nfs/dbraw/zinc/88/88/60/655888860.db2.gz XKFZWQIIASYFNB-YVLHZVERSA-N 1 0 304.415 3.471 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC2 ZINC000715220847 661209376 /nfs/dbraw/zinc/20/93/76/661209376.db2.gz DMJLRNGZTVHBIF-CQSZACIVSA-N 1 0 306.203 3.103 10 30 DGEERO C=C(Br)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309921143 656125929 /nfs/dbraw/zinc/12/59/29/656125929.db2.gz QVRMZPWRBDDSEJ-OAHLLOKOSA-N 1 0 309.251 3.101 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000716933543 661234101 /nfs/dbraw/zinc/23/41/01/661234101.db2.gz ITGVKDVCUFCAMD-IBGZPJMESA-N 1 0 309.409 3.394 10 30 DGEERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000299984116 656230864 /nfs/dbraw/zinc/23/08/64/656230864.db2.gz GODSWTNKNSVMMI-UGUYLWEFSA-N 1 0 321.465 3.446 10 30 DGEERO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000723836552 656501600 /nfs/dbraw/zinc/50/16/00/656501600.db2.gz OINVSMROWACVGJ-HUUCEWRRSA-N 1 0 323.481 3.409 10 30 DGEERO CC[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC1CCC1 ZINC000261663317 656952471 /nfs/dbraw/zinc/95/24/71/656952471.db2.gz GCTNHTNTPPVIPH-NEPJUHHUSA-N 1 0 305.388 3.463 10 30 DGEERO CC[NH+]=C(NC1CCC1)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261968930 657268258 /nfs/dbraw/zinc/26/82/58/657268258.db2.gz MFRWWXAOMPPNDU-OAHLLOKOSA-N 1 0 301.434 3.396 10 30 DGEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000261981392 657271758 /nfs/dbraw/zinc/27/17/58/657271758.db2.gz IBBSXQGHWOGWQE-HZPDHXFCSA-N 1 0 323.396 3.131 10 30 DGEERO CC[NH+]=C(NCC1(C)CC1)N(C)Cc1nc2c(s1)CCCC2 ZINC000262340151 657515900 /nfs/dbraw/zinc/51/59/00/657515900.db2.gz CKKIVBSDUAGZHT-UHFFFAOYSA-N 1 0 320.506 3.219 10 30 DGEERO [NH2+]=C(NC[C@H](c1ccco1)N1CCCCC1)NC1CCCCC1 ZINC000262346024 657519290 /nfs/dbraw/zinc/51/92/90/657519290.db2.gz TXOUNTMBFLFHEI-MRXNPFEDSA-N 1 0 318.465 3.044 10 30 DGEERO CC(C)C(=O)Nc1ccc(CNC(=[NH2+])NC2CCCCC2)cc1 ZINC000303769511 657560801 /nfs/dbraw/zinc/56/08/01/657560801.db2.gz BBPLLQQZEYWUSU-UHFFFAOYSA-N 1 0 316.449 3.018 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCCN(C)c2ccccc2F)c1 ZINC000303884435 657571157 /nfs/dbraw/zinc/57/11/57/657571157.db2.gz MTDYOKLOTNLIPZ-UHFFFAOYSA-N 1 0 314.408 3.387 10 30 DGEERO CC(C)c1cccc(NC(=[NH2+])NCc2cccnc2N(C)C)c1 ZINC000303895742 657575606 /nfs/dbraw/zinc/57/56/06/657575606.db2.gz POFKTCOMJYXJJT-UHFFFAOYSA-N 1 0 311.433 3.198 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCN2c3ccccc3C[C@H]2C)c1 ZINC000303972486 657581899 /nfs/dbraw/zinc/58/18/99/657581899.db2.gz FUOHZDOAKLMPEZ-OAHLLOKOSA-N 1 0 308.429 3.173 10 30 DGEERO CC(C)(C)c1csc(CCNC(=[NH2+])NC2CCCCC2)n1 ZINC000304741885 657646240 /nfs/dbraw/zinc/64/62/40/657646240.db2.gz CJEZIUHLBVNVBJ-UHFFFAOYSA-N 1 0 308.495 3.220 10 30 DGEERO Cc1cc(Br)ccc1CNC(=[NH2+])NC1CCCCC1 ZINC000304756969 657648861 /nfs/dbraw/zinc/64/88/61/657648861.db2.gz OHAVTOBIEFWUJV-UHFFFAOYSA-N 1 0 324.266 3.495 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCCSc2nccs2)c1 ZINC000304757388 657649250 /nfs/dbraw/zinc/64/92/50/657649250.db2.gz OUBHNXMZRBEXLQ-UHFFFAOYSA-N 1 0 306.460 3.361 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccc(N3CC=CC3)cc2)c1 ZINC000304765430 657650587 /nfs/dbraw/zinc/65/05/87/657650587.db2.gz ZHUOQAHEWWVUGO-UHFFFAOYSA-N 1 0 306.413 3.298 10 30 DGEERO COc1ccccc1O[C@H](C)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000304803292 657653596 /nfs/dbraw/zinc/65/35/96/657653596.db2.gz QAKFWDBNUVFUID-CQSZACIVSA-N 1 0 313.401 3.198 10 30 DGEERO C[C@H](CNC(=[NH2+])NCCc1cccs1)Sc1ccccc1 ZINC000304812211 657655112 /nfs/dbraw/zinc/65/51/12/657655112.db2.gz XWRNXSUJPKTTKV-CYBMUJFWSA-N 1 0 319.499 3.376 10 30 DGEERO CSc1cc(C)ccc1CNC(=[NH2+])NCCc1cccs1 ZINC000305030842 657665793 /nfs/dbraw/zinc/66/57/93/657665793.db2.gz QWSHQVVTBUACJQ-UHFFFAOYSA-N 1 0 319.499 3.425 10 30 DGEERO C=CCc1cc(OCC)cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000098052456 657797300 /nfs/dbraw/zinc/79/73/00/657797300.db2.gz JPKCJILFLKXIGY-KBPBESRZSA-N 1 0 305.418 3.129 10 30 DGEERO C#C[C@@H](NC(=[NH2+])NC1CCCCC1)c1ccc(Cl)cc1F ZINC000262673691 657913823 /nfs/dbraw/zinc/91/38/23/657913823.db2.gz SHJTTYIOBAEKBQ-OAHLLOKOSA-N 1 0 307.800 3.390 10 30 DGEERO C[NH+]=C(NC1CCC1)N(C)Cc1ccccc1Br ZINC000262767351 658022687 /nfs/dbraw/zinc/02/26/87/658022687.db2.gz GMGCBCSGFKUZND-UHFFFAOYSA-N 1 0 310.239 3.009 10 30 DGEERO [NH2+]=C(NC[C@@H]1C[C@H]1c1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000263101256 658133298 /nfs/dbraw/zinc/13/32/98/658133298.db2.gz JZMOKTGCRAZPMF-SZMVWBNQSA-N 1 0 321.424 3.218 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1oc(CC(C)C)nc1C ZINC000191216350 658394746 /nfs/dbraw/zinc/39/47/46/658394746.db2.gz RJGIMAJKTIVSPJ-CQSZACIVSA-N 1 0 320.433 3.072 10 30 DGEERO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000164142256 658918687 /nfs/dbraw/zinc/91/86/87/658918687.db2.gz SKYAFYIUVSTMBB-ROUUACIJSA-N 1 0 317.429 3.273 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(O)c(OC)c1 ZINC000164142117 658918779 /nfs/dbraw/zinc/91/87/79/658918779.db2.gz XFAOGNTWANQAOQ-DLBZAZTESA-N 1 0 317.429 3.273 10 30 DGEERO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C(C)C ZINC000353462249 659984546 /nfs/dbraw/zinc/98/45/46/659984546.db2.gz OILWSCLWUBUTHJ-WMZOPIPTSA-N 1 0 302.466 3.075 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1cccc2ncccc21 ZINC000181192131 659985659 /nfs/dbraw/zinc/98/56/59/659985659.db2.gz UCJNBSDZUABYPQ-OAHLLOKOSA-N 1 0 310.397 3.125 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000446840192 660053901 /nfs/dbraw/zinc/05/39/01/660053901.db2.gz DUGCSYYDKOGKOD-KRWDZBQOSA-N 1 0 311.429 3.365 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000157788235 661868982 /nfs/dbraw/zinc/86/89/82/661868982.db2.gz CSBRGWUKPVOHLO-LJQANCHMSA-N 1 0 315.388 3.388 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000227675879 685117841 /nfs/dbraw/zinc/11/78/41/685117841.db2.gz SROOQJYXRRJFCP-AWEZNQCLSA-N 1 0 320.433 3.254 10 30 DGEERO N#Cc1ccc(Br)cc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229384157 1176584685 /nfs/dbraw/zinc/58/46/85/1176584685.db2.gz OOVJOXIUQJOSHZ-HIFRSBDPSA-N 1 0 320.234 3.359 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1OC ZINC000159059940 1176609490 /nfs/dbraw/zinc/60/94/90/1176609490.db2.gz NCZUVTGUGPOLLM-SFHVURJKSA-N 1 0 321.461 3.393 10 30 DGEERO C=CCCC[NH2+]Cc1ccc(I)cc1 ZINC000379493643 1176795309 /nfs/dbraw/zinc/79/53/09/1176795309.db2.gz VAOIYLOLXWALNH-UHFFFAOYSA-N 1 0 301.171 3.347 10 30 DGEERO CC1=CC[N@H+](CCNC(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000329184338 1176997189 /nfs/dbraw/zinc/99/71/89/1176997189.db2.gz OGVUKVXLKMCAHC-OAHLLOKOSA-N 1 0 313.401 3.370 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC1(C)C ZINC000044372125 1194276016 /nfs/dbraw/zinc/27/60/16/1194276016.db2.gz GEKQBJJEYZTEPW-AWEZNQCLSA-N 1 0 308.219 3.349 10 30 DGEERO CCN(C)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000066878054 1195572102 /nfs/dbraw/zinc/57/21/02/1195572102.db2.gz IZOWDBIGSYRXLS-UHFFFAOYSA-N 1 0 323.440 3.179 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](CO)CC(C)(C)C)cc1OC ZINC000121361272 1200209638 /nfs/dbraw/zinc/20/96/38/1200209638.db2.gz OKZMHMMZRDLNJW-OAHLLOKOSA-N 1 0 307.434 3.147 10 30 DGEERO C[NH+]1CCC(CNc2cc(Br)ccc2C#N)CC1 ZINC000123209944 1200275290 /nfs/dbraw/zinc/27/52/90/1200275290.db2.gz VZANIKYSMSITBY-UHFFFAOYSA-N 1 0 308.223 3.074 10 30 DGEERO C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)c1 ZINC000123370354 1200277233 /nfs/dbraw/zinc/27/72/33/1200277233.db2.gz VTGXJJCJRFPURQ-JXFKEZNVSA-N 1 0 311.425 3.333 10 30 DGEERO C=CCSCC[NH2+]Cc1cc(O)ccc1Br ZINC000124699214 1200356834 /nfs/dbraw/zinc/35/68/34/1200356834.db2.gz GKUHFMLWFAJEMT-UHFFFAOYSA-N 1 0 302.237 3.164 10 30 DGEERO C=CCOc1ccc(C[NH2+]CCN2CCC(C)CC2)cc1OC ZINC000237168153 1202652618 /nfs/dbraw/zinc/65/26/18/1202652618.db2.gz HNPVGLJGZWRCPK-UHFFFAOYSA-N 1 0 318.461 3.082 10 30 DGEERO Cc1ccccc1CCNC(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000029415338 717119541 /nfs/dbraw/zinc/11/95/41/717119541.db2.gz FVTXPWFEQBZWOC-INIZCTEOSA-O 1 0 303.470 3.061 10 30 DGEERO C[C@H](C(=O)NCc1ccccc1Cl)[N+](C)(C)C1CCCC1 ZINC000015457912 717112410 /nfs/dbraw/zinc/11/24/10/717112410.db2.gz ZSAQAOIVYCJDHT-CYBMUJFWSA-O 1 0 309.861 3.364 10 30 DGEERO C=CC(C)(C)C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401847365 1093975505 /nfs/dbraw/zinc/97/55/05/1093975505.db2.gz XUHLHODOSMHTQB-MRXNPFEDSA-N 1 0 302.418 3.199 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719584445 1104955740 /nfs/dbraw/zinc/95/57/40/1104955740.db2.gz PJHWFVQQEYRJHH-AWEZNQCLSA-N 1 0 310.235 3.194 10 30 DGEERO C=CC[C@H](CO)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000278440811 214155031 /nfs/dbraw/zinc/15/50/31/214155031.db2.gz HONCFPMIVOPVQZ-HNFVBEJKSA-N 1 0 310.235 3.222 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182073545 199383834 /nfs/dbraw/zinc/38/38/34/199383834.db2.gz ZOAVXDWWMZXKTO-MRXNPFEDSA-N 1 0 321.424 3.117 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131864049 432041073 /nfs/dbraw/zinc/04/10/73/432041073.db2.gz YYHHSDAXIXILPA-RDTXWAMCSA-N 1 0 310.401 3.048 10 30 DGEERO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131921685 432042028 /nfs/dbraw/zinc/04/20/28/432042028.db2.gz HBHTZCKMNSMYDO-LJQANCHMSA-N 1 0 323.444 3.107 10 30 DGEERO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131906425 432041511 /nfs/dbraw/zinc/04/15/11/432041511.db2.gz RJZDCGNDLOGUMF-IBGZPJMESA-N 1 0 309.413 3.159 10 30 DGEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262370467 283092554 /nfs/dbraw/zinc/09/25/54/283092554.db2.gz XLCXFQOXTWYOAS-ZLKJLUDKSA-N 1 0 309.335 3.141 10 30 DGEERO C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC000080909622 192199298 /nfs/dbraw/zinc/19/92/98/192199298.db2.gz AYRNMXLEUPMOOR-UHFFFAOYSA-N 1 0 301.777 3.117 10 30 DGEERO COc1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cc1C#N ZINC000169148213 432070998 /nfs/dbraw/zinc/07/09/98/432070998.db2.gz JCJAEBBDSGGKTK-SUMWQHHRSA-N 1 0 308.381 3.221 10 30 DGEERO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186705349 199993689 /nfs/dbraw/zinc/99/36/89/199993689.db2.gz UTDKSJMGIZOJEL-HNNXBMFYSA-N 1 0 314.433 3.253 10 30 DGEERO COc1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1C#N ZINC000135101144 432097734 /nfs/dbraw/zinc/09/77/34/432097734.db2.gz IUBWSXGMJXHCGJ-SFHVURJKSA-N 1 0 314.429 3.490 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)OCC)cc1 ZINC000449579482 240301714 /nfs/dbraw/zinc/30/17/14/240301714.db2.gz GNVWIRGMFJHEFY-SJORKVTESA-N 1 0 303.402 3.073 10 30 DGEERO C=CCOCC[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451149255 241022887 /nfs/dbraw/zinc/02/28/87/241022887.db2.gz YNLBKFOLHFLSQL-UHFFFAOYSA-N 1 0 301.308 3.367 10 30 DGEERO C=CCCC[C@@H](C)[NH+]1CCC(n2cc(C(=O)OCC)cn2)CC1 ZINC000451209818 241049303 /nfs/dbraw/zinc/04/93/03/241049303.db2.gz IFOGGDMBNTWMAD-OAHLLOKOSA-N 1 0 319.449 3.442 10 30 DGEERO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)C1CCCC1 ZINC000172170871 296142983 /nfs/dbraw/zinc/14/29/83/296142983.db2.gz JUHLQUJXSOAQFI-CVEARBPZSA-N 1 0 313.445 3.490 10 30 DGEERO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868671 193320936 /nfs/dbraw/zinc/32/09/36/193320936.db2.gz SIFIHDYLNQSMIM-GOEBONIOSA-N 1 0 314.458 3.312 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCCc4ccccc43)n2c1 ZINC000123217157 284234305 /nfs/dbraw/zinc/23/43/05/284234305.db2.gz PQWBXRBCSPHFAF-KRWDZBQOSA-N 1 0 316.408 3.416 10 30 DGEERO Cc1cccc(NC[C@H]2CCN(c3ccc(C#N)cc3F)C2)[nH+]1 ZINC000171365331 432127629 /nfs/dbraw/zinc/12/76/29/432127629.db2.gz SXZYVATVOVIZOU-OAHLLOKOSA-N 1 0 310.376 3.339 10 30 DGEERO CCC(CC)C[N@H+](CC)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128465810 284376259 /nfs/dbraw/zinc/37/62/59/284376259.db2.gz YXVLDGIUQWPXCE-UHFFFAOYSA-N 1 0 322.474 3.090 10 30 DGEERO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc2c(c1)OCCO2 ZINC000135670250 432132549 /nfs/dbraw/zinc/13/25/49/432132549.db2.gz NSFCCMROMQDVLZ-NSHDSACASA-N 1 0 300.383 3.242 10 30 DGEERO CC#CC[NH2+][C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494204462 246119888 /nfs/dbraw/zinc/11/98/88/246119888.db2.gz JTJALHYHFQLOFF-DOTOQJQBSA-N 1 0 322.811 3.142 10 30 DGEERO Cc1ccn(-c2ccccc2C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000136392481 284501686 /nfs/dbraw/zinc/50/16/86/284501686.db2.gz YUQLVHVIOWWSDC-UHFFFAOYSA-N 1 0 302.381 3.342 10 30 DGEERO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)/C(N)=N/O ZINC000042445141 183271454 /nfs/dbraw/zinc/27/14/54/183271454.db2.gz DHKGOPNQUZIVIV-SECBINFHSA-N 1 0 304.221 3.198 10 30 DGEERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(CCC#N)C1CC1 ZINC000043093413 183336852 /nfs/dbraw/zinc/33/68/52/183336852.db2.gz FVMOEBNOEVYHEE-XHDPSFHLSA-N 1 0 322.250 3.215 10 30 DGEERO CCN(Cc1ccccc1)c1ccc(/C=[NH+]/N2CCOCC2)cc1 ZINC000003248170 257267249 /nfs/dbraw/zinc/26/72/49/257267249.db2.gz BSYMLBAUOYPUHG-LTGZKZEYSA-N 1 0 323.440 3.379 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000122296588 195430725 /nfs/dbraw/zinc/43/07/25/195430725.db2.gz SETURFILUARKAS-UHFFFAOYSA-N 1 0 313.445 3.253 10 30 DGEERO CC[NH+](CC)Cc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)o1 ZINC000608777679 400119401 /nfs/dbraw/zinc/11/94/01/400119401.db2.gz YOWMJUIMRDMLEU-KRWDZBQOSA-N 1 0 305.422 3.180 10 30 DGEERO C=CCCOCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090883503 400081102 /nfs/dbraw/zinc/08/11/02/400081102.db2.gz BZNDVMDBLDJUDA-CYBMUJFWSA-N 1 0 320.824 3.164 10 30 DGEERO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000091624065 400128311 /nfs/dbraw/zinc/12/83/11/400128311.db2.gz FLLJJPXSIBKMSN-CQSZACIVSA-N 1 0 320.433 3.319 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)cc1 ZINC000091832175 400138708 /nfs/dbraw/zinc/13/87/08/400138708.db2.gz OHPKBMVKCDEQIW-INIZCTEOSA-N 1 0 313.401 3.322 10 30 DGEERO C=CC[C@H](CC)[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600735639 400141421 /nfs/dbraw/zinc/14/14/21/400141421.db2.gz MVQJIVBPYHEWTE-CSLYMUCUSA-N 1 0 311.466 3.194 10 30 DGEERO C=CCCOCCCCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351071932 400230837 /nfs/dbraw/zinc/23/08/37/400230837.db2.gz DMVWDSWFTOXFAE-UHFFFAOYSA-N 1 0 312.373 3.300 10 30 DGEERO C=CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617009016 400272591 /nfs/dbraw/zinc/27/25/91/400272591.db2.gz QGJZKXIHXGDLKK-SJORKVTESA-N 1 0 300.446 3.335 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000093869899 400261116 /nfs/dbraw/zinc/26/11/16/400261116.db2.gz OWDZEENNEDQVNW-KRWDZBQOSA-N 1 0 311.429 3.050 10 30 DGEERO C=CCOCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000611543926 400418941 /nfs/dbraw/zinc/41/89/41/400418941.db2.gz OVWFRNMPJRHWIT-UHFFFAOYSA-N 1 0 319.386 3.011 10 30 DGEERO CCc1ccc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000123183218 400466507 /nfs/dbraw/zinc/46/65/07/400466507.db2.gz OFJLEFJRZSRRQP-HNNXBMFYSA-N 1 0 313.445 3.242 10 30 DGEERO C=C[C@@H](NC)c1ncc(Br)cc1Br ZINC000133296747 400569612 /nfs/dbraw/zinc/56/96/12/400569612.db2.gz MWUOIRXOYCBGGS-MRVPVSSYSA-N 1 0 306.001 3.053 10 30 DGEERO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC(=O)OC)c2)C1 ZINC000593598384 400879260 /nfs/dbraw/zinc/87/92/60/400879260.db2.gz QDROUCTUWGRMLI-GOEBONIOSA-N 1 0 303.402 3.073 10 30 DGEERO C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000079599055 400879478 /nfs/dbraw/zinc/87/94/78/400879478.db2.gz XQZWJLBZQVNUPF-HNNXBMFYSA-N 1 0 321.440 3.254 10 30 DGEERO CN(CCC#N)C(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000179701930 400879569 /nfs/dbraw/zinc/87/95/69/400879569.db2.gz NFFZYGONSVVCQV-QGZVFWFLSA-N 1 0 319.836 3.143 10 30 DGEERO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000593613005 400881393 /nfs/dbraw/zinc/88/13/93/400881393.db2.gz FNWTUPPIDZACBG-SUMDDJOVSA-N 1 0 323.440 3.388 10 30 DGEERO C=CC[C@H]1CC[C@@H]([NH2+]CCc2nc(C(=O)OCC)cs2)C1 ZINC000593625478 400883563 /nfs/dbraw/zinc/88/35/63/400883563.db2.gz LGWAQPYWWKZRNK-QWHCGFSZSA-N 1 0 308.447 3.197 10 30 DGEERO C=CCCC[N@@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000605743195 400884926 /nfs/dbraw/zinc/88/49/26/400884926.db2.gz ZKBGFANVDQSFNQ-UHFFFAOYSA-N 1 0 302.462 3.367 10 30 DGEERO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000614242826 400861447 /nfs/dbraw/zinc/86/14/47/400861447.db2.gz YNAOJAXMFOLGOO-MRXNPFEDSA-N 1 0 309.413 3.120 10 30 DGEERO C=CCOc1cccc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000056625091 400938688 /nfs/dbraw/zinc/93/86/88/400938688.db2.gz YDQQPBWHVLLDCO-OAHLLOKOSA-N 1 0 317.433 3.247 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000605952584 400890192 /nfs/dbraw/zinc/89/01/92/400890192.db2.gz VZZONVPTYZFMHO-QGZVFWFLSA-N 1 0 309.498 3.495 10 30 DGEERO C=CCNC(=O)C[N@@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000181950902 400891030 /nfs/dbraw/zinc/89/10/30/400891030.db2.gz KNBCWOMZMFSZSM-BOLDSZDNSA-N 1 0 304.459 3.308 10 30 DGEERO C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000624788556 400951652 /nfs/dbraw/zinc/95/16/52/400951652.db2.gz VSEJKLZFNMTTME-WBVHZDCISA-N 1 0 305.466 3.001 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1OC ZINC000188303016 400907905 /nfs/dbraw/zinc/90/79/05/400907905.db2.gz HSWKJQUDTAHBDS-KSSFIOAISA-N 1 0 305.418 3.117 10 30 DGEERO C=CCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620192479 401010179 /nfs/dbraw/zinc/01/01/79/401010179.db2.gz MYVYAGVFTQHCHK-SFHVURJKSA-N 1 0 312.457 3.371 10 30 DGEERO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)CC1(O)CCC1 ZINC000625045852 401016280 /nfs/dbraw/zinc/01/62/80/401016280.db2.gz PRVSZZUSPGQXBH-GFCCVEGCSA-N 1 0 315.866 3.056 10 30 DGEERO C#CC[C@@H]([NH3+])c1cc(Br)sc1Br ZINC000236315971 400977884 /nfs/dbraw/zinc/97/78/84/400977884.db2.gz WMOUGWPOEWKYGX-ZCFIWIBFSA-N 1 0 309.026 3.296 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000620309725 401053980 /nfs/dbraw/zinc/05/39/80/401053980.db2.gz CTZDKRUBEYJNHM-ZYSHUDEJSA-N 1 0 310.441 3.143 10 30 DGEERO Cc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)ccc1Br ZINC000594427617 401064370 /nfs/dbraw/zinc/06/43/70/401064370.db2.gz VIOKETLQRFKARY-CYBMUJFWSA-N 1 0 324.222 3.107 10 30 DGEERO C=CCCOCC[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594501051 401082115 /nfs/dbraw/zinc/08/21/15/401082115.db2.gz HKWYMMGXSYAMAT-QGZVFWFLSA-N 1 0 303.402 3.033 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNc1ccncc1[N+](=O)[O-])C(C)C ZINC000060342934 401107148 /nfs/dbraw/zinc/10/71/48/401107148.db2.gz CBRFEJFBASWXDG-HNNXBMFYSA-N 1 0 304.394 3.100 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNc1ccncc1[N+](=O)[O-])C(C)C ZINC000060342933 401107159 /nfs/dbraw/zinc/10/71/59/401107159.db2.gz CBRFEJFBASWXDG-OAHLLOKOSA-N 1 0 304.394 3.100 10 30 DGEERO C=C(C)C[NH+]1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000594549567 401107798 /nfs/dbraw/zinc/10/77/98/401107798.db2.gz DXIFEPAIDDURLJ-UHFFFAOYSA-N 1 0 305.378 3.056 10 30 DGEERO C=CC[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600184875 401212942 /nfs/dbraw/zinc/21/29/42/401212942.db2.gz HZVYUYGESRQPEJ-MRXNPFEDSA-N 1 0 321.428 3.257 10 30 DGEERO C=CC[C@@H]1CC[N@@H+](CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000625701493 401185636 /nfs/dbraw/zinc/18/56/36/401185636.db2.gz KGTVOJUMRANNGN-MRXNPFEDSA-N 1 0 307.459 3.057 10 30 DGEERO C=CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000625701117 401185930 /nfs/dbraw/zinc/18/59/30/401185930.db2.gz OOVOPWMTEARBDH-INIZCTEOSA-N 1 0 300.446 3.470 10 30 DGEERO C=CCn1c([C@@H](C)CC)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC000634342040 401266500 /nfs/dbraw/zinc/26/65/00/401266500.db2.gz XKIKOPATZFGQLW-HNNXBMFYSA-N 1 0 319.497 3.288 10 30 DGEERO C[N@@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000089651993 401234197 /nfs/dbraw/zinc/23/41/97/401234197.db2.gz KUZWIONXCBAHHN-CVEARBPZSA-N 1 0 312.804 3.464 10 30 DGEERO C[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000089651992 401234577 /nfs/dbraw/zinc/23/45/77/401234577.db2.gz KUZWIONXCBAHHN-HOTGVXAUSA-N 1 0 312.804 3.464 10 30 DGEERO C=CC(C)(C)CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000625899893 401246311 /nfs/dbraw/zinc/24/63/11/401246311.db2.gz FPHGYACVRYYQSZ-MRXNPFEDSA-N 1 0 317.433 3.071 10 30 DGEERO C=CCC1([NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000625936349 401259703 /nfs/dbraw/zinc/25/97/03/401259703.db2.gz IZTOUMVQWZUYQB-DLBZAZTESA-N 1 0 320.477 3.025 10 30 DGEERO C=C(C)[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)c(F)c1 ZINC000627015825 401432076 /nfs/dbraw/zinc/43/20/76/401432076.db2.gz CNTPYRKCVXSKHH-KFNAQCHYSA-N 1 0 323.387 3.022 10 30 DGEERO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000631559970 401497513 /nfs/dbraw/zinc/49/75/13/401497513.db2.gz NNXFWWLCMDCBAT-SFHVURJKSA-N 1 0 312.457 3.323 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCCN(C)C2)cc1OC ZINC000623372351 401502300 /nfs/dbraw/zinc/50/23/00/401502300.db2.gz QGEGQXAPXAMAQG-AWEZNQCLSA-N 1 0 324.852 3.097 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000623388598 401506623 /nfs/dbraw/zinc/50/66/23/401506623.db2.gz OEMCBTGESNINOB-QGZVFWFLSA-N 1 0 315.461 3.116 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@H](C)CO)cc1OC ZINC000623427511 401515312 /nfs/dbraw/zinc/51/53/12/401515312.db2.gz BMHIMXDSBIZMBM-VXGBXAGGSA-N 1 0 313.825 3.020 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000631638838 401521615 /nfs/dbraw/zinc/52/16/15/401521615.db2.gz ROVBYCKSQQVGHI-IMJJTQAJSA-N 1 0 305.418 3.336 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000623466172 401524042 /nfs/dbraw/zinc/52/40/42/401524042.db2.gz UQLYUSINLWYAED-DLBZAZTESA-N 1 0 307.482 3.249 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](C/C=C/C)C2)CC1 ZINC000623635101 401559348 /nfs/dbraw/zinc/55/93/48/401559348.db2.gz URWAHHVGBKDNSM-WMHVBEDNSA-N 1 0 305.466 3.025 10 30 DGEERO C=C1CC(C)(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)C1 ZINC000632796659 401626870 /nfs/dbraw/zinc/62/68/70/401626870.db2.gz CYCPRINUVZCBGJ-HNNXBMFYSA-N 1 0 300.402 3.367 10 30 DGEERO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000628965191 401651231 /nfs/dbraw/zinc/65/12/31/401651231.db2.gz KOKIXOJGUYEKQG-LPHOPBHVSA-N 1 0 312.457 3.479 10 30 DGEERO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccs1 ZINC000182546103 432203472 /nfs/dbraw/zinc/20/34/72/432203472.db2.gz XWILPKSWUZFINM-LBPRGKRZSA-N 1 0 302.399 3.358 10 30 DGEERO CN(C)C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)=[NH+]Cc1ccccc1 ZINC000123777080 226985344 /nfs/dbraw/zinc/98/53/44/226985344.db2.gz VZDMQTGPAUHDLV-CEXWTWQISA-N 1 0 305.425 3.032 10 30 DGEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000154590036 227099915 /nfs/dbraw/zinc/09/99/15/227099915.db2.gz CAUROGUPCPBOQS-GOSISDBHSA-N 1 0 313.832 3.361 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000173572536 228282391 /nfs/dbraw/zinc/28/23/91/228282391.db2.gz QDMGVMPYHTYGQZ-LZQZEXGQSA-N 1 0 324.428 3.447 10 30 DGEERO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCSCC#N)cc1 ZINC000183148047 228371005 /nfs/dbraw/zinc/37/10/05/228371005.db2.gz YBTARLVQTCBPOO-AWEZNQCLSA-N 1 0 314.458 3.478 10 30 DGEERO Cc1nsc(N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)c1C#N ZINC000367349070 267686565 /nfs/dbraw/zinc/68/65/65/267686565.db2.gz RJFUWCPQHCEMIQ-CYBMUJFWSA-N 1 0 316.474 3.024 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151381134 432242449 /nfs/dbraw/zinc/24/24/49/432242449.db2.gz BTLCEZIQMFLDJJ-SJLPKXTDSA-N 1 0 319.470 3.396 10 30 DGEERO Cn1nccc1C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000157985298 274903875 /nfs/dbraw/zinc/90/38/75/274903875.db2.gz NEASJZRNGUHCEV-UHFFFAOYSA-N 1 0 313.832 3.305 10 30 DGEERO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000371743426 275433262 /nfs/dbraw/zinc/43/32/62/275433262.db2.gz ITQDVVVHLWPQHL-ROUUACIJSA-N 1 0 321.486 3.293 10 30 DGEERO CC1(C#N)CC[NH+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449229584 275805001 /nfs/dbraw/zinc/80/50/01/275805001.db2.gz CIPWMTVKSNGORA-UHFFFAOYSA-N 1 0 300.402 3.364 10 30 DGEERO C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415971925 276915503 /nfs/dbraw/zinc/91/55/03/276915503.db2.gz KLOKLPUZSFMHJB-CYBMUJFWSA-N 1 0 303.381 3.044 10 30 DGEERO N#Cc1ccc[n+](CC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000002570358 431259015 /nfs/dbraw/zinc/25/90/15/431259015.db2.gz KKDGJEPNHRYKGB-UHFFFAOYSA-N 1 0 311.364 3.300 10 30 DGEERO N#Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114483696 431391630 /nfs/dbraw/zinc/39/16/30/431391630.db2.gz HPZRBLGQHZHASV-GOSISDBHSA-N 1 0 310.401 3.277 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116430417 431512322 /nfs/dbraw/zinc/51/23/22/431512322.db2.gz SHNPIZBLURQKCK-INIZCTEOSA-N 1 0 317.433 3.167 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000076979463 431568242 /nfs/dbraw/zinc/56/82/42/431568242.db2.gz JDQPFAUGJLWXKT-MRXNPFEDSA-N 1 0 307.413 3.036 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000077541929 431606926 /nfs/dbraw/zinc/60/69/26/431606926.db2.gz NRYLKMBWKLKPRE-INIZCTEOSA-N 1 0 319.449 3.414 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000078691284 431695866 /nfs/dbraw/zinc/69/58/66/431695866.db2.gz LGJHRCJLIYIEBI-KGLIPLIRSA-N 1 0 322.424 3.298 10 30 DGEERO N#C[C@H]1CCC[C@@H]1NCc1cc(Br)cc2c1OCC2 ZINC000122406463 431831869 /nfs/dbraw/zinc/83/18/69/431831869.db2.gz MJTZZEUFHCNQFK-RISCZKNCSA-N 1 0 321.218 3.166 10 30 DGEERO C=CCOc1ccccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597524 431916023 /nfs/dbraw/zinc/91/60/23/431916023.db2.gz SEVURNDZUWOUII-QGZVFWFLSA-N 1 0 300.446 3.169 10 30 DGEERO CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000124776567 431904463 /nfs/dbraw/zinc/90/44/63/431904463.db2.gz AKWCBXMKPZYCDK-GDBMZVCRSA-N 1 0 317.433 3.123 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OCC)C2)cc1 ZINC000125831419 431937527 /nfs/dbraw/zinc/93/75/27/431937527.db2.gz ZZKVCLPEHDOQFZ-CVEARBPZSA-N 1 0 303.402 3.073 10 30 DGEERO C#CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC000126549207 431953062 /nfs/dbraw/zinc/95/30/62/431953062.db2.gz PSXYDIKIIQHMTL-UXDRXVOSSA-N 1 0 312.457 3.365 10 30 DGEERO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000191964306 432317597 /nfs/dbraw/zinc/31/75/97/432317597.db2.gz KAEJUOXVNQHKIX-PKOBYXMFSA-N 1 0 312.457 3.055 10 30 DGEERO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191974565 432320521 /nfs/dbraw/zinc/32/05/21/432320521.db2.gz GXBPEGMMAPPGMI-PKOBYXMFSA-N 1 0 312.457 3.055 10 30 DGEERO N#Cc1ccc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)o1 ZINC000174356171 432340730 /nfs/dbraw/zinc/34/07/30/432340730.db2.gz VXMOFOYHDZLZOY-UHFFFAOYSA-N 1 0 311.316 3.278 10 30 DGEERO COc1cccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H](C#N)C3)C2)c1 ZINC000248729889 432314238 /nfs/dbraw/zinc/31/42/38/432314238.db2.gz DDASOQUWVZJYSG-ULQDDVLXSA-N 1 0 313.445 3.336 10 30 DGEERO CC#CCN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153281719 432397426 /nfs/dbraw/zinc/39/74/26/432397426.db2.gz SXFIRGPJJZXAGC-UHFFFAOYSA-N 1 0 311.256 3.177 10 30 DGEERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC1(C#N)CCCCC1 ZINC000192680443 432400072 /nfs/dbraw/zinc/40/00/72/432400072.db2.gz HKRGENDFNRLEEE-STQMWFEESA-N 1 0 305.447 3.130 10 30 DGEERO C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Sc1ccccc1 ZINC000174608056 432360457 /nfs/dbraw/zinc/36/04/57/432360457.db2.gz SXWUYELYUZGOMS-CQSZACIVSA-N 1 0 322.437 3.476 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000185147125 432471932 /nfs/dbraw/zinc/47/19/32/432471932.db2.gz AYMGDGMUIOYNOC-HNNXBMFYSA-N 1 0 304.434 3.305 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000185307441 432489854 /nfs/dbraw/zinc/48/98/54/432489854.db2.gz UMDRGQWDGINFBA-AWEZNQCLSA-N 1 0 324.415 3.457 10 30 DGEERO COC(=O)c1sccc1CN(C)Cc1ccc(C#N)cc1 ZINC000154369823 432495306 /nfs/dbraw/zinc/49/53/06/432495306.db2.gz YTUFAKLBEVMBGT-UHFFFAOYSA-N 1 0 300.383 3.038 10 30 DGEERO Cc1ccc([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)o1 ZINC000194413313 432549288 /nfs/dbraw/zinc/54/92/88/432549288.db2.gz JJAJALCVCUQTFN-NSHDSACASA-N 1 0 303.387 3.201 10 30 DGEERO C=CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000154659105 432513407 /nfs/dbraw/zinc/51/34/07/432513407.db2.gz QITFBWXJQUFEPF-AYHJJNSGSA-N 1 0 313.445 3.009 10 30 DGEERO C=C(C)[C@H]([NH2+]C[C@H](O)COCCCC)c1ccc(F)c(F)c1 ZINC000195219731 432611779 /nfs/dbraw/zinc/61/17/79/432611779.db2.gz CMQDATWUIGHLRF-YOEHRIQHSA-N 1 0 313.388 3.349 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186218171 432570107 /nfs/dbraw/zinc/57/01/07/432570107.db2.gz RRUYXIWRXCLZGJ-GOSISDBHSA-N 1 0 308.429 3.463 10 30 DGEERO Clc1ccc(C#CC[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000177139403 432589760 /nfs/dbraw/zinc/58/97/60/432589760.db2.gz OAPFLLRWZTZNCY-UHFFFAOYSA-N 1 0 313.832 3.300 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000186699155 432623832 /nfs/dbraw/zinc/62/38/32/432623832.db2.gz NTXHWNOXOPCZCO-NVXWUHKLSA-N 1 0 313.445 3.385 10 30 DGEERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000187954515 432695494 /nfs/dbraw/zinc/69/54/94/432695494.db2.gz WNPSRYVUCMTSRV-HNAYVOBHSA-N 1 0 300.446 3.471 10 30 DGEERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C#N)c2C)[C@H](C)C1 ZINC000178549897 432751008 /nfs/dbraw/zinc/75/10/08/432751008.db2.gz IGTIPYLAYHPDJA-CXAGYDPISA-N 1 0 314.433 3.061 10 30 DGEERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)o1 ZINC000267265387 432827502 /nfs/dbraw/zinc/82/75/02/432827502.db2.gz LDPSZFNYVUXFAX-DNVCBOLYSA-N 1 0 309.413 3.151 10 30 DGEERO C=CCc1cccc(C(C)C)c1NC(=O)N1CC([NH+](C)C)C1 ZINC000276474254 432811434 /nfs/dbraw/zinc/81/14/34/432811434.db2.gz ZLYUITOLRCHECP-UHFFFAOYSA-N 1 0 301.434 3.316 10 30 DGEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245941174 432871205 /nfs/dbraw/zinc/87/12/05/432871205.db2.gz AUMOUFDVQMYKIF-WMLDXEAASA-N 1 0 321.428 3.425 10 30 DGEERO Cc1cc2c[nH]nc2c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000330107852 432893683 /nfs/dbraw/zinc/89/36/83/432893683.db2.gz MRZQIPDOKCQDEJ-UHFFFAOYSA-N 1 0 312.417 3.193 10 30 DGEERO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245700051 432857187 /nfs/dbraw/zinc/85/71/87/432857187.db2.gz CXNAKRDECKAQOZ-CRAIPNDOSA-N 1 0 324.428 3.147 10 30 DGEERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)N[C@H]1CCn2ccnc2C1 ZINC000330199410 432897766 /nfs/dbraw/zinc/89/77/66/432897766.db2.gz VJRFKCJWMPZIPR-QKPAOTATSA-N 1 0 318.465 3.162 10 30 DGEERO Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000330223167 432898390 /nfs/dbraw/zinc/89/83/90/432898390.db2.gz MYLCSPKGVVIWEJ-JLJPHGGASA-N 1 0 302.418 3.437 10 30 DGEERO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1C ZINC000330259185 432900619 /nfs/dbraw/zinc/90/06/19/432900619.db2.gz NFRKUMNIWAGNHL-YJLNNSPDSA-N 1 0 316.445 3.478 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CC=C(c3ccnn3C)CC2)c1 ZINC000289372002 432951432 /nfs/dbraw/zinc/95/14/32/432951432.db2.gz LORMJRWMVOYASD-UHFFFAOYSA-N 1 0 309.413 3.274 10 30 DGEERO C=CCN(CC1CCCCC1)C(=O)NCc1nccn1CC ZINC000298186158 433053579 /nfs/dbraw/zinc/05/35/79/433053579.db2.gz SCXYVRZXFUILER-UHFFFAOYSA-N 1 0 304.438 3.181 10 30 DGEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446711497 433084485 /nfs/dbraw/zinc/08/44/85/433084485.db2.gz MRJDKPJYXMTJMQ-YLJYHZDGSA-N 1 0 312.457 3.239 10 30 DGEERO N#Cc1cnc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000290596231 433110510 /nfs/dbraw/zinc/11/05/10/433110510.db2.gz BPOBHCPNEARQSM-KRWDZBQOSA-N 1 0 321.428 3.062 10 30 DGEERO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000453352105 433111458 /nfs/dbraw/zinc/11/14/58/433111458.db2.gz KVXXRYHFZADFAR-MAUKXSAKSA-N 1 0 311.429 3.166 10 30 DGEERO C=CCCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000448031744 433354697 /nfs/dbraw/zinc/35/46/97/433354697.db2.gz RVJATJHLMSUIHN-DLBZAZTESA-N 1 0 315.461 3.257 10 30 DGEERO C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036287 433356871 /nfs/dbraw/zinc/35/68/71/433356871.db2.gz XDXWOCVZDPGCBY-CXAGYDPISA-N 1 0 303.425 3.468 10 30 DGEERO C=CC[NH+](CC=C)[C@@H](CNCc1nn(C)c(C)c1Cl)C(C)C ZINC000421335869 433483741 /nfs/dbraw/zinc/48/37/41/433483741.db2.gz UVVWNJPBXPMLLJ-INIZCTEOSA-N 1 0 324.900 3.170 10 30 DGEERO N#Cc1cnccc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000376197255 433689924 /nfs/dbraw/zinc/68/99/24/433689924.db2.gz JSTUQQKWHDBXPA-HXUWFJFHSA-N 1 0 318.424 3.056 10 30 DGEERO C[C@@H]1C[N@@H+](Cc2cccc(Nc3cccc(C#N)n3)c2)C[C@H](C)O1 ZINC000301867660 433767221 /nfs/dbraw/zinc/76/72/21/433767221.db2.gz VUVIOSNGVLAIMA-GASCZTMLSA-N 1 0 322.412 3.306 10 30 DGEERO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000301872979 433770798 /nfs/dbraw/zinc/77/07/98/433770798.db2.gz KYCUJCGSHAPASR-NVXWUHKLSA-N 1 0 312.804 3.464 10 30 DGEERO Cc1ccc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc1C#N ZINC000302597483 433827955 /nfs/dbraw/zinc/82/79/55/433827955.db2.gz BMZWOAOXFXXIHE-SJORKVTESA-N 1 0 312.461 3.353 10 30 DGEERO Cc1ccc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc1C#N ZINC000302612432 433828213 /nfs/dbraw/zinc/82/82/13/433828213.db2.gz FECJBXMAWCIKGV-UHFFFAOYSA-N 1 0 320.440 3.363 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@H](C)N1CCc2ccc(F)c(F)c2C1 ZINC000362950768 433925370 /nfs/dbraw/zinc/92/53/70/433925370.db2.gz HPZXCBJXPGGSQD-ZDUSSCGKSA-N 1 0 322.399 3.136 10 30 DGEERO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCc2ccc(F)c(F)c2C1 ZINC000362950767 433925805 /nfs/dbraw/zinc/92/58/05/433925805.db2.gz HPZXCBJXPGGSQD-CYBMUJFWSA-N 1 0 322.399 3.136 10 30 DGEERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc(C#N)n1C ZINC000450157837 433999601 /nfs/dbraw/zinc/99/96/01/433999601.db2.gz ACBRYDBEATXTQI-UHFFFAOYSA-N 1 0 322.412 3.053 10 30 DGEERO CC(C)(CCC#N)C[NH2+]Cc1ncc(Br)s1 ZINC000309701438 434094425 /nfs/dbraw/zinc/09/44/25/434094425.db2.gz TUSWARLNUBZODC-UHFFFAOYSA-N 1 0 302.241 3.325 10 30 DGEERO C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)[NH+]1CCC(C)CC1 ZINC000328634428 434292885 /nfs/dbraw/zinc/29/28/85/434292885.db2.gz BKXKHNDZPWJINK-CABCVRRESA-N 1 0 309.454 3.353 10 30 DGEERO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCCC#N ZINC000365276979 434294871 /nfs/dbraw/zinc/29/48/71/434294871.db2.gz SGKNYZZDUZNOQX-IBGZPJMESA-N 1 0 314.429 3.321 10 30 DGEERO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCCC#N ZINC000365276984 434295535 /nfs/dbraw/zinc/29/55/35/434295535.db2.gz SGKNYZZDUZNOQX-LJQANCHMSA-N 1 0 314.429 3.321 10 30 DGEERO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)Nc1cc(F)cc(F)c1 ZINC000328712448 434299970 /nfs/dbraw/zinc/29/99/70/434299970.db2.gz RSFDOLPNSISVRK-CYBMUJFWSA-N 1 0 323.343 3.184 10 30 DGEERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328840185 434317642 /nfs/dbraw/zinc/31/76/42/434317642.db2.gz UMHUYJGJWLUQOM-KBPBESRZSA-N 1 0 309.454 3.353 10 30 DGEERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC3CCCC3)nc2)C1 ZINC000329285606 434387480 /nfs/dbraw/zinc/38/74/80/434387480.db2.gz GONHYAUDZDGXHR-HNNXBMFYSA-N 1 0 317.433 3.192 10 30 DGEERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(C#N)cc1F ZINC000358580608 434399878 /nfs/dbraw/zinc/39/98/78/434399878.db2.gz YGJWWEJJNUEICV-JDFRZJQESA-N 1 0 320.433 3.403 10 30 DGEERO CC(=O)N[C@H](CC1CCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000329891639 434501041 /nfs/dbraw/zinc/50/10/41/434501041.db2.gz IDRSUZYCGMLJIX-NPYXIHBLSA-N 1 0 321.465 3.493 10 30 DGEERO C=CCCC[C@H](C)[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451426976 434569742 /nfs/dbraw/zinc/56/97/42/434569742.db2.gz ZIEZMWMEJPLXIC-FUHWJXTLSA-N 1 0 317.477 3.361 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000424174339 434646008 /nfs/dbraw/zinc/64/60/08/434646008.db2.gz OECFHBAQEGCWHJ-HOCLYGCPSA-N 1 0 305.418 3.163 10 30 DGEERO C=CCN1CC[C@H]([N@@H+](C)[C@@H](c2ccccc2C)C(C)C)C1=O ZINC000410394066 434643926 /nfs/dbraw/zinc/64/39/26/434643926.db2.gz TZPPBDMUKKUOPA-ZWKOTPCHSA-N 1 0 300.446 3.411 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCC(C)C)c1 ZINC000424172361 434644037 /nfs/dbraw/zinc/64/40/37/434644037.db2.gz LZXAIPOLLQITRI-IRXDYDNUSA-N 1 0 319.445 3.411 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000424177240 434646510 /nfs/dbraw/zinc/64/65/10/434646510.db2.gz SXGVFNDVXCDDDN-BVBHFADKSA-N 1 0 300.446 3.003 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000424177530 434647245 /nfs/dbraw/zinc/64/72/45/434647245.db2.gz UIWAVTDDNSZJNF-GWCFXTLKSA-N 1 0 319.298 3.405 10 30 DGEERO Cc1csc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000371188859 434653374 /nfs/dbraw/zinc/65/33/74/434653374.db2.gz ONCPWQQESRBNOI-UHFFFAOYSA-N 1 0 312.442 3.400 10 30 DGEERO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C(C)C ZINC000424272732 434671632 /nfs/dbraw/zinc/67/16/32/434671632.db2.gz UXQSGPBQCDQKBE-UTBUEMAESA-N 1 0 320.521 3.478 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000424292795 434680527 /nfs/dbraw/zinc/68/05/27/434680527.db2.gz HJMLVRKOYSGBMK-HFTRVMKXSA-N 1 0 311.429 3.329 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000424289708 434681788 /nfs/dbraw/zinc/68/17/88/434681788.db2.gz ABQJZTMBDWDDCW-ZYSHUDEJSA-N 1 0 312.388 3.491 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000424298872 434682239 /nfs/dbraw/zinc/68/22/39/434682239.db2.gz UGJJPWULUAERNB-BQFCYCMXSA-N 1 0 316.445 3.201 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000424297534 434682266 /nfs/dbraw/zinc/68/22/66/434682266.db2.gz QWCKNYFXUFLHEF-SNRMKQJTSA-N 1 0 312.388 3.491 10 30 DGEERO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1F ZINC000453246941 434840761 /nfs/dbraw/zinc/84/07/61/434840761.db2.gz MZCBFLITIUELDD-MLGOLLRUSA-N 1 0 316.351 3.091 10 30 DGEERO C=C(C)COCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462788711 434928469 /nfs/dbraw/zinc/92/84/69/434928469.db2.gz HXMYNRSNWVXODK-UHFFFAOYSA-N 1 0 305.418 3.324 10 30 DGEERO C=CCCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000558638015 435101019 /nfs/dbraw/zinc/10/10/19/435101019.db2.gz DMDQWGFYJQZVME-OAHLLOKOSA-N 1 0 301.434 3.269 10 30 DGEERO C=CC[C@@H](CO)CNc1cc(C)[nH+]c2ccc(OC(F)F)cc12 ZINC000561061023 435199629 /nfs/dbraw/zinc/19/96/29/435199629.db2.gz SPSCSLCFWYRCAI-GFCCVEGCSA-N 1 0 322.355 3.163 10 30 DGEERO C=CCCCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000567122108 435291353 /nfs/dbraw/zinc/29/13/53/435291353.db2.gz KMPIJSCIOURENV-QGZVFWFLSA-N 1 0 304.478 3.457 10 30 DGEERO C=CC[N@@H+](CCc1ccco1)C[C@@H](O)COc1ccc(C)cc1 ZINC000537613874 435454266 /nfs/dbraw/zinc/45/42/66/435454266.db2.gz PCFCRKDIXRUDQD-QGZVFWFLSA-N 1 0 315.413 3.058 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000537693338 435463681 /nfs/dbraw/zinc/46/36/81/435463681.db2.gz URAVPXLPHXPERO-ZWKOTPCHSA-N 1 0 301.430 3.500 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CCC(C)C ZINC000482689979 435479688 /nfs/dbraw/zinc/47/96/88/435479688.db2.gz NZMKKDGWWRLICJ-QGZVFWFLSA-N 1 0 306.406 3.380 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000539197030 435542817 /nfs/dbraw/zinc/54/28/17/435542817.db2.gz DVIDULANVHAEGY-INIZCTEOSA-N 1 0 318.436 3.257 10 30 DGEERO C=CCNC(=O)C[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000571318852 435697017 /nfs/dbraw/zinc/69/70/17/435697017.db2.gz KOBRBEKKPAQKBI-WQLSENKSSA-N 1 0 312.335 3.001 10 30 DGEERO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000174589880 312764193 /nfs/dbraw/zinc/76/41/93/312764193.db2.gz QHNUUGRJYWQZJW-HNNXBMFYSA-N 1 0 320.396 3.072 10 30 DGEERO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000543416409 314132670 /nfs/dbraw/zinc/13/26/70/314132670.db2.gz KEWILPNYBWKLAE-PBHICJAKSA-N 1 0 312.388 3.342 10 30 DGEERO COc1ccc([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1F ZINC000180270418 323225258 /nfs/dbraw/zinc/22/52/58/323225258.db2.gz FCVHOONVZJDYCP-GFCCVEGCSA-N 1 0 324.359 3.204 10 30 DGEERO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455358 331820618 /nfs/dbraw/zinc/82/06/18/331820618.db2.gz VWBRTZHKSNBSLS-DGCLKSJQSA-N 1 0 312.866 3.291 10 30 DGEERO C=CCCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000388467822 333312398 /nfs/dbraw/zinc/31/23/98/333312398.db2.gz CEWBJSRWDCHOTA-NSHDSACASA-N 1 0 304.217 3.289 10 30 DGEERO FC(F)C(F)(F)COCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000188571888 333375723 /nfs/dbraw/zinc/37/57/23/333375723.db2.gz VFWHVGXEFDDMNJ-QMMMGPOBSA-N 1 0 311.241 3.178 10 30 DGEERO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000185064188 337202695 /nfs/dbraw/zinc/20/26/95/337202695.db2.gz KNWAAIJFZNLFTI-HZPDHXFCSA-N 1 0 300.446 3.152 10 30 DGEERO C/C(=[NH+]\c1cc(C(F)(F)F)c(Br)cn1)N(C)C ZINC000584655451 337377853 /nfs/dbraw/zinc/37/78/53/337377853.db2.gz ADGAGNWMBUJAQA-OMCISZLKSA-N 1 0 310.117 3.474 10 30 DGEERO C=C(C)C[C@H](C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000185517993 340502141 /nfs/dbraw/zinc/50/21/41/340502141.db2.gz HJKAHCKGGYNLKJ-AWEZNQCLSA-N 1 0 317.433 3.118 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000542258252 341002343 /nfs/dbraw/zinc/00/23/43/341002343.db2.gz NJHXAMUYMUILKA-INIZCTEOSA-N 1 0 305.466 3.025 10 30 DGEERO C=CCOc1cccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000544609300 341088690 /nfs/dbraw/zinc/08/86/90/341088690.db2.gz KKSDGVWKULAIAH-ROUUACIJSA-N 1 0 303.446 3.480 10 30 DGEERO C=CCN(Cc1cccs1)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000079254273 341255920 /nfs/dbraw/zinc/25/59/20/341255920.db2.gz OQGYYVDGMABJKD-AWEZNQCLSA-N 1 0 309.479 3.176 10 30 DGEERO C=C(C)COc1cc(C[NH2+]CC2(CCO)CCC2)ccc1OC ZINC000136526965 341261345 /nfs/dbraw/zinc/26/13/45/341261345.db2.gz WIOQFADJSCCEGI-UHFFFAOYSA-N 1 0 319.445 3.292 10 30 DGEERO C=C[C@H](CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000574813947 341769789 /nfs/dbraw/zinc/76/97/89/341769789.db2.gz RXBQYPSZVVGFCD-QRQLOZEOSA-N 1 0 312.457 3.337 10 30 DGEERO C=CCC(C)(C)CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000458810185 534546211 /nfs/dbraw/zinc/54/62/11/534546211.db2.gz MHPXNCHFKAWDHA-UHFFFAOYSA-N 1 0 309.498 3.352 10 30 DGEERO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000156677147 521366726 /nfs/dbraw/zinc/36/67/26/521366726.db2.gz KYFUJOHUXOTOFS-CYBMUJFWSA-N 1 0 305.447 3.459 10 30 DGEERO C=CC[N@H+](Cc1cc(Br)ccc1F)CC(C)(C)O ZINC000181554432 526332020 /nfs/dbraw/zinc/33/20/20/526332020.db2.gz CVROWJCHMSRDOI-UHFFFAOYSA-N 1 0 316.214 3.347 10 30 DGEERO C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H](C)c1ccc(C)o1 ZINC000262745224 526366093 /nfs/dbraw/zinc/36/60/93/526366093.db2.gz ABRRJMJYJHJFCZ-NSHDSACASA-N 1 0 320.462 3.130 10 30 DGEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000119563918 526394891 /nfs/dbraw/zinc/39/48/91/526394891.db2.gz DPMUAIROZVOOAI-FVQBIDKESA-N 1 0 313.445 3.396 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000172075691 526426873 /nfs/dbraw/zinc/42/68/73/526426873.db2.gz OOZJAHWCLGLCRI-LJQANCHMSA-N 1 0 317.477 3.169 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)NC2CCC3(CC3)CC2)CC1 ZINC000433607188 526588468 /nfs/dbraw/zinc/58/84/68/526588468.db2.gz IQEVWUQLMCTTOH-UHFFFAOYSA-N 1 0 305.466 3.049 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000431633280 526597931 /nfs/dbraw/zinc/59/79/31/526597931.db2.gz BQUHMXCANNNLCA-AYOQOUSVSA-N 1 0 312.457 3.193 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180287298 526600065 /nfs/dbraw/zinc/60/00/65/526600065.db2.gz OBWLDMRGZNIIER-UHFFFAOYSA-N 1 0 323.440 3.012 10 30 DGEERO C=C(C)CN1CCC([NH2+][C@@H](C)Cc2ccn(C(C)C)n2)CC1 ZINC000341197298 526603810 /nfs/dbraw/zinc/60/38/10/526603810.db2.gz ADCBGROJFIEHFP-INIZCTEOSA-N 1 0 304.482 3.025 10 30 DGEERO C=C(C)COc1cc(C[NH2+]C2(CCO)CCCC2)ccc1OC ZINC000352921493 526661712 /nfs/dbraw/zinc/66/17/12/526661712.db2.gz IYFCFUAGBRCSLR-UHFFFAOYSA-N 1 0 319.445 3.435 10 30 DGEERO C#CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000185522621 526665308 /nfs/dbraw/zinc/66/53/08/526665308.db2.gz BBBAYKCGGFUOAI-YQQQUEKLSA-N 1 0 324.468 3.348 10 30 DGEERO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000338810138 526737774 /nfs/dbraw/zinc/73/77/74/526737774.db2.gz YBUFUHWCFAGHDX-HZPDHXFCSA-N 1 0 317.481 3.042 10 30 DGEERO C#CCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245880412 526744949 /nfs/dbraw/zinc/74/49/49/526744949.db2.gz KGFJISMVSDNIDV-IPMKNSEASA-N 1 0 311.425 3.136 10 30 DGEERO C=CCOCC[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000339119457 526782459 /nfs/dbraw/zinc/78/24/59/526782459.db2.gz SLMYGZMUKJOIHA-LLVKDONJSA-N 1 0 314.223 3.311 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1OC ZINC000355135135 526867951 /nfs/dbraw/zinc/86/79/51/526867951.db2.gz NTOUANOYMZWDHU-DLBZAZTESA-N 1 0 317.429 3.261 10 30 DGEERO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000349753600 527103489 /nfs/dbraw/zinc/10/34/89/527103489.db2.gz CESWNFUCEFBECH-MFKMUULPSA-N 1 0 316.214 3.046 10 30 DGEERO CC(=O)c1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1O ZINC000331353967 527220455 /nfs/dbraw/zinc/22/04/55/527220455.db2.gz PGVHVYVXVLPFHP-UHFFFAOYSA-N 1 0 318.417 3.020 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc(OC)c1O ZINC000355116068 527237643 /nfs/dbraw/zinc/23/76/43/527237643.db2.gz SAGQTJPLABYPIH-IRXDYDNUSA-N 1 0 317.429 3.130 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000424168921 527497535 /nfs/dbraw/zinc/49/75/35/527497535.db2.gz GZSZDCVBNHIICR-WMZOPIPTSA-N 1 0 300.402 3.050 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000424176356 527497647 /nfs/dbraw/zinc/49/76/47/527497647.db2.gz XJDQKXBGRLAPSC-KSSFIOAISA-N 1 0 315.392 3.001 10 30 DGEERO C=CCCc1ccccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000337523313 527505750 /nfs/dbraw/zinc/50/57/50/527505750.db2.gz AHJGMWDASOYWAC-UHFFFAOYSA-N 1 0 301.434 3.363 10 30 DGEERO C=C[C@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000128181774 527572550 /nfs/dbraw/zinc/57/25/50/527572550.db2.gz QXTSJEAPECYBKE-QGZVFWFLSA-N 1 0 312.457 3.433 10 30 DGEERO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(Cl)cn2)cc1 ZINC000263126711 528175074 /nfs/dbraw/zinc/17/50/74/528175074.db2.gz FSPAGVDEMAZYQE-UHFFFAOYSA-N 1 0 318.808 3.449 10 30 DGEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000181494464 528625782 /nfs/dbraw/zinc/62/57/82/528625782.db2.gz CXXCZRGDALDAID-HOTGVXAUSA-N 1 0 323.440 3.499 10 30 DGEERO CC(C)[C@@H]1C[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCO1 ZINC000263112460 528774272 /nfs/dbraw/zinc/77/42/72/528774272.db2.gz LEXJTXJDWGTULE-KDOFPFPSSA-N 1 0 315.461 3.353 10 30 DGEERO CCC[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[NH+](C)C ZINC000161665758 528848900 /nfs/dbraw/zinc/84/89/00/528848900.db2.gz OMTMXCFNUALDTG-INIZCTEOSA-N 1 0 303.406 3.038 10 30 DGEERO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000093863688 545857940 /nfs/dbraw/zinc/85/79/40/545857940.db2.gz GUQVRSSPKNPMAO-GOSISDBHSA-N 1 0 311.429 3.494 10 30 DGEERO Cc1nc(C)c([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)s1 ZINC000181155336 546154123 /nfs/dbraw/zinc/15/41/23/546154123.db2.gz YGLHGXIMEVNPLS-NSHDSACASA-N 1 0 301.415 3.361 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCCCC[C@H]2CCO)cc(OC)c1O ZINC000342825462 546560561 /nfs/dbraw/zinc/56/05/61/546560561.db2.gz SAIWTSHYXMPECH-KRWDZBQOSA-N 1 0 319.445 3.256 10 30 DGEERO Cc1c(Br)cccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426484 547031826 /nfs/dbraw/zinc/03/18/26/547031826.db2.gz DDMPNZIHFBMVSM-GFCCVEGCSA-N 1 0 324.222 3.107 10 30 DGEERO C#CCOc1ccc(C[NH2+][C@H](C)Cc2cccc(OC)c2)cc1 ZINC000733326648 574616214 /nfs/dbraw/zinc/61/62/14/574616214.db2.gz QVWINPJHYDEAML-MRXNPFEDSA-N 1 0 309.409 3.428 10 30 DGEERO COCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC(C)C ZINC000735308937 574696589 /nfs/dbraw/zinc/69/65/89/574696589.db2.gz YZUQCVKYFHVNSU-UHFFFAOYSA-N 1 0 310.825 3.347 10 30 DGEERO CCC[N@H+](Cc1cc(Cl)ccc1OCC#N)CC(C)(C)O ZINC000741805436 574972139 /nfs/dbraw/zinc/97/21/39/574972139.db2.gz OILAPXQPVRNSJB-UHFFFAOYSA-N 1 0 310.825 3.225 10 30 DGEERO C=C(Br)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728685761 576195122 /nfs/dbraw/zinc/19/51/22/576195122.db2.gz FSBXSIWHQSOUQO-HNNXBMFYSA-N 1 0 315.299 3.483 10 30 DGEERO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154409124 620670355 /nfs/dbraw/zinc/67/03/55/620670355.db2.gz VTKOWQJMHAVWMS-OAHLLOKOSA-N 1 0 315.461 3.397 10 30 DGEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000119301811 618624353 /nfs/dbraw/zinc/62/43/53/618624353.db2.gz QIPRWKAPKFRGTF-HZPDHXFCSA-N 1 0 306.409 3.142 10 30 DGEERO CCCCCCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000119006057 621607600 /nfs/dbraw/zinc/60/76/00/621607600.db2.gz RVLDJXYELFWBTO-UHFFFAOYSA-N 1 0 314.424 3.366 10 30 DGEERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000124038465 622882573 /nfs/dbraw/zinc/88/25/73/622882573.db2.gz VDYGZOVPJBBEIV-CRAIPNDOSA-N 1 0 304.434 3.254 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCc2ccccc2-n2ccnc2)c1 ZINC000104176227 627411784 /nfs/dbraw/zinc/41/17/84/627411784.db2.gz UVVNECJKTCNQKW-UHFFFAOYSA-N 1 0 305.385 3.108 10 30 DGEERO CO[C@@](C)(C[NH2+]CC#Cc1ccccc1)COCc1ccccc1 ZINC000702767491 660741375 /nfs/dbraw/zinc/74/13/75/660741375.db2.gz YMEQQKARMSSLIL-NRFANRHFSA-N 1 0 323.436 3.250 10 30 DGEERO CC[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)o2)CCN1C(=O)OC(C)(C)C ZINC000704617270 660813181 /nfs/dbraw/zinc/81/31/81/660813181.db2.gz QYQQQVJLHSBDJP-LSDHHAIUSA-N 1 0 319.405 3.029 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176201462 655744063 /nfs/dbraw/zinc/74/40/63/655744063.db2.gz SZZICIKNFQRVSH-HDICACEKSA-N 1 0 321.428 3.205 10 30 DGEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1Br ZINC000712434505 661188476 /nfs/dbraw/zinc/18/84/76/661188476.db2.gz LVOMUAZCDUGXAQ-DGCLKSJQSA-N 1 0 312.255 3.407 10 30 DGEERO CC1(C)CN(Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000721597792 655861951 /nfs/dbraw/zinc/86/19/51/655861951.db2.gz OUHBVHWVZHIUCP-UHFFFAOYSA-N 1 0 320.440 3.050 10 30 DGEERO C[C@H](NCc1ccc(F)cc1C#N)c1ccc(-n2cncn2)cc1 ZINC000181909817 656511416 /nfs/dbraw/zinc/51/14/16/656511416.db2.gz AIPJYFCZZPTREQ-ZDUSSCGKSA-N 1 0 321.359 3.129 10 30 DGEERO CC[NH+]=C(NCC1(C2CC2)CC1)N[C@H]1CCOc2ccccc21 ZINC000261868108 657148605 /nfs/dbraw/zinc/14/86/05/657148605.db2.gz NUKMSFNJGRRGJK-INIZCTEOSA-N 1 0 313.445 3.256 10 30 DGEERO CCCCCCNC(=[NH2+])NCCc1cc(F)c(F)c(F)c1 ZINC000305885587 657312425 /nfs/dbraw/zinc/31/24/25/657312425.db2.gz XUQUVEHDTFIOPT-UHFFFAOYSA-N 1 0 301.356 3.131 10 30 DGEERO C=CCOCCCC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183184908 657377310 /nfs/dbraw/zinc/37/73/10/657377310.db2.gz CAEFKODQJVOWSL-SFHVURJKSA-N 1 0 317.429 3.177 10 30 DGEERO Cc1nc2ccccc2n1CCNC(=[NH2+])Nc1cccc(C)c1 ZINC000303774540 657560206 /nfs/dbraw/zinc/56/02/06/657560206.db2.gz FZJXDHISFRBJNR-UHFFFAOYSA-N 1 0 307.401 3.080 10 30 DGEERO C[C@@H](OCCCNC(=[NH2+])NC1CCCCC1)c1ccccc1 ZINC000303792238 657565167 /nfs/dbraw/zinc/56/51/67/657565167.db2.gz YIABLUNRKPTDKI-OAHLLOKOSA-N 1 0 303.450 3.391 10 30 DGEERO CO[C@@H](CNC(=[NH2+])NC1CCCCC1)c1cccc(Cl)c1 ZINC000304671670 657643068 /nfs/dbraw/zinc/64/30/68/657643068.db2.gz FBPQMMUFVDSHEY-HNNXBMFYSA-N 1 0 309.841 3.265 10 30 DGEERO COc1ccc(OC)c(NC(=[NH2+])NC/C=C/c2ccccc2)c1 ZINC000304742297 657646250 /nfs/dbraw/zinc/64/62/50/657646250.db2.gz CPLKSQPAEIYEHT-RMKNXTFCSA-N 1 0 311.385 3.144 10 30 DGEERO [NH2+]=C(NCCc1cccs1)NCC1(c2cccc(F)c2)CC1 ZINC000304765272 657650145 /nfs/dbraw/zinc/65/01/45/657650145.db2.gz ZAOGJNJPQRDVJO-UHFFFAOYSA-N 1 0 317.433 3.066 10 30 DGEERO [NH2+]=C(NCc1c(O)ccc2c1CCCC2)NC1CCCCC1 ZINC000304782301 657652077 /nfs/dbraw/zinc/65/20/77/657652077.db2.gz GSMUMUAAXTVZRP-UHFFFAOYSA-N 1 0 301.434 3.008 10 30 DGEERO CSCc1cc(F)ccc1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000304947263 657659317 /nfs/dbraw/zinc/65/93/17/657659317.db2.gz QGFQNIPZKDNLBT-LBPRGKRZSA-N 1 0 309.454 3.235 10 30 DGEERO [NH2+]=C(NCCCCOCc1ccccc1)N1CCCCCC1 ZINC000305043689 657667362 /nfs/dbraw/zinc/66/73/62/657667362.db2.gz DRSQZCHEDRGDCK-UHFFFAOYSA-N 1 0 303.450 3.174 10 30 DGEERO [NH2+]=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC1CCCCC1 ZINC000304789001 657712705 /nfs/dbraw/zinc/71/27/05/657712705.db2.gz JQHJLPMFMFVHCV-UHFFFAOYSA-N 1 0 323.362 3.294 10 30 DGEERO COc1ccc(OC)c(NC(=[NH2+])N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000262552605 657744108 /nfs/dbraw/zinc/74/41/08/657744108.db2.gz ZJDIKOYBMVSNKR-CABCVRRESA-N 1 0 317.433 3.399 10 30 DGEERO C[NH+]=C(NCc1sc(C)nc1C)NC1CCC(C)(C)CC1 ZINC000089068451 658645044 /nfs/dbraw/zinc/64/50/44/658645044.db2.gz FFWWUYXFVANOAK-UHFFFAOYSA-N 1 0 308.495 3.394 10 30 DGEERO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000164142386 658919236 /nfs/dbraw/zinc/91/92/36/658919236.db2.gz SKYAFYIUVSTMBB-ZWKOTPCHSA-N 1 0 317.429 3.273 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000227689214 659162010 /nfs/dbraw/zinc/16/20/10/659162010.db2.gz WDHBWAZURDCPOR-AWEZNQCLSA-N 1 0 320.433 3.254 10 30 DGEERO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000230944423 659359285 /nfs/dbraw/zinc/35/92/85/659359285.db2.gz IZMSMKWMHTYMOE-ILXRZTDVSA-N 1 0 309.454 3.065 10 30 DGEERO N#Cc1ccc(OCC[NH2+]Cc2cc(Cl)ccc2O)cc1 ZINC000174560721 659438707 /nfs/dbraw/zinc/43/87/07/659438707.db2.gz CPNOGFSMXGIKNR-UHFFFAOYSA-N 1 0 302.761 3.086 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OCC#N)cc1 ZINC000182006682 660030455 /nfs/dbraw/zinc/03/04/55/660030455.db2.gz KVTJFWKVIXLTIN-HNNXBMFYSA-N 1 0 321.380 3.190 10 30 DGEERO C#CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000070245439 660047085 /nfs/dbraw/zinc/04/70/85/660047085.db2.gz RMLUKTKEOXNICQ-UHFFFAOYSA-N 1 0 304.134 3.163 10 30 DGEERO C#Cc1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000043985011 661852711 /nfs/dbraw/zinc/85/27/11/661852711.db2.gz URGJFGACTZNXMQ-SFHVURJKSA-N 1 0 307.397 3.092 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000075734938 661945465 /nfs/dbraw/zinc/94/54/65/661945465.db2.gz PNJHOBQRTJNEEQ-GOSISDBHSA-N 1 0 301.361 3.214 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccnc1Cl ZINC000090107113 662253166 /nfs/dbraw/zinc/25/31/66/662253166.db2.gz KBLIFHXVRIWJPF-GFCCVEGCSA-N 1 0 301.777 3.336 10 30 DGEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)C(C)(C)C ZINC000718727640 662260635 /nfs/dbraw/zinc/26/06/35/662260635.db2.gz JDOZVIFEIFVFFX-GJZGRUSLSA-N 1 0 301.496 3.314 10 30 DGEERO C=CCc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(O)c(OC)c1 ZINC000247143015 662302360 /nfs/dbraw/zinc/30/23/60/662302360.db2.gz XFAOGNTWANQAOQ-SJORKVTESA-N 1 0 317.429 3.273 10 30 DGEERO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812760 662336090 /nfs/dbraw/zinc/33/60/90/662336090.db2.gz PJRCTNLSHMJKBH-KRWDZBQOSA-N 1 0 321.424 3.028 10 30 DGEERO CCC[N@@H+]1CC[C@H](Nc2cc(Br)ccc2C#N)C1 ZINC000328454662 1176640509 /nfs/dbraw/zinc/64/05/09/1176640509.db2.gz FAEFDVNHLNDPEP-ZDUSSCGKSA-N 1 0 308.223 3.217 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397643132 1197723430 /nfs/dbraw/zinc/72/34/30/1197723430.db2.gz BMFHQMDTQNCNRH-JJLQDPRZSA-N 1 0 320.230 3.349 10 30 DGEERO C[N@@H+]1CCC[C@@H](CNc2cc(Br)ccc2C#N)C1 ZINC000123210646 1200275986 /nfs/dbraw/zinc/27/59/86/1200275986.db2.gz SYLHSAPGEAVGLN-NSHDSACASA-N 1 0 308.223 3.074 10 30 DGEERO N#Cc1cc(Br)ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000229249270 1202482875 /nfs/dbraw/zinc/48/28/75/1202482875.db2.gz IECVOHRFSMDYFA-NSHDSACASA-N 1 0 308.223 3.122 10 30 DGEERO N#Cc1ccc(C[NH2+]CCNc2ncccc2C(F)(F)F)cc1 ZINC000152761070 1202595197 /nfs/dbraw/zinc/59/51/97/1202595197.db2.gz ZLTYUBSGTKOGPF-UHFFFAOYSA-N 1 0 320.318 3.174 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+]CC1(C)CC1 ZINC000232919417 1202602238 /nfs/dbraw/zinc/60/22/38/1202602238.db2.gz BUSHDVVRZJNARD-UHFFFAOYSA-N 1 0 308.219 3.351 10 30 DGEERO O=C(C[N+]12CCN(CC1)CC2)c1ccc(C2CCCCC2)cc1 ZINC000022308111 717113504 /nfs/dbraw/zinc/11/35/04/717113504.db2.gz KIIUFCDGKWKBNY-UHFFFAOYSA-N 1 0 313.465 3.063 10 30 DGEERO C[NH+](C)C1(C)CCN(c2cc(Br)ccc2C#N)CC1 ZINC000709854527 1084561245 /nfs/dbraw/zinc/56/12/45/1084561245.db2.gz OAGWWDXFQWQMEM-UHFFFAOYSA-N 1 0 322.250 3.241 10 30 DGEERO CC[NH+](CC)CCN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000092539900 185324720 /nfs/dbraw/zinc/32/47/20/185324720.db2.gz CIVODASFPYKNFM-UHFFFAOYSA-N 1 0 311.429 3.495 10 30 DGEERO C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159640832 186132600 /nfs/dbraw/zinc/13/26/00/186132600.db2.gz SHKSQBYAVFPTLQ-BEFAXECRSA-N 1 0 310.441 3.086 10 30 DGEERO N#Cc1ccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)s1 ZINC000153320874 283148119 /nfs/dbraw/zinc/14/81/19/283148119.db2.gz OAHMBLDRFYCEKZ-NSHDSACASA-N 1 0 319.380 3.266 10 30 DGEERO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)s1 ZINC000153320986 283146686 /nfs/dbraw/zinc/14/66/86/283146686.db2.gz OAHMBLDRFYCEKZ-LLVKDONJSA-N 1 0 319.380 3.266 10 30 DGEERO CSCCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180228708 432082148 /nfs/dbraw/zinc/08/21/48/432082148.db2.gz IQURNENHZZSLQM-UHFFFAOYSA-N 1 0 314.458 3.192 10 30 DGEERO Cc1ccc(NCc2ccc(OCCC[NH+](C)C)cc2)nc1C#N ZINC000189816369 432092624 /nfs/dbraw/zinc/09/26/24/432092624.db2.gz QMEJOYQHHCZBEE-UHFFFAOYSA-N 1 0 324.428 3.204 10 30 DGEERO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1F ZINC000281398188 216272277 /nfs/dbraw/zinc/27/22/77/216272277.db2.gz NHPQDODYGXHJOU-CGTJXYLNSA-N 1 0 302.393 3.213 10 30 DGEERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135056436 432096174 /nfs/dbraw/zinc/09/61/74/432096174.db2.gz XCRQWPONUQHDKQ-QGZVFWFLSA-N 1 0 324.428 3.163 10 30 DGEERO N#CC1CCC(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000441363482 239040847 /nfs/dbraw/zinc/04/08/47/239040847.db2.gz ZONFOAYMZLCFLL-UHFFFAOYSA-N 1 0 308.429 3.351 10 30 DGEERO CCn1cnnc1C1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189879582 432100753 /nfs/dbraw/zinc/10/07/53/432100753.db2.gz CSMHFUJYKJARNF-CQSZACIVSA-N 1 0 309.417 3.110 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000449236197 240084462 /nfs/dbraw/zinc/08/44/62/240084462.db2.gz JERZJMFMJDSVAE-LLVKDONJSA-N 1 0 318.642 3.438 10 30 DGEERO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000091376303 193049702 /nfs/dbraw/zinc/04/97/02/193049702.db2.gz WGCNUBHIHLFBGS-AWEZNQCLSA-N 1 0 320.396 3.175 10 30 DGEERO CC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1cccc(O)c1 ZINC000091974999 193134800 /nfs/dbraw/zinc/13/48/00/193134800.db2.gz YWSJFQHSKSCSBH-AWEZNQCLSA-N 1 0 320.396 3.495 10 30 DGEERO C=C(C)CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000455307117 242164599 /nfs/dbraw/zinc/16/45/99/242164599.db2.gz HXBOPBXKXHWCTR-UHFFFAOYSA-N 1 0 301.434 3.048 10 30 DGEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246277200 432115305 /nfs/dbraw/zinc/11/53/05/432115305.db2.gz BVEWEJTYOCITCL-WBVHZDCISA-N 1 0 306.413 3.448 10 30 DGEERO N#Cc1ccc(CN2CCC[N@H+](CC3CCCCC3)CC2)o1 ZINC000092187310 193172099 /nfs/dbraw/zinc/17/20/99/193172099.db2.gz BIIBCFSVLFNSKH-UHFFFAOYSA-N 1 0 301.434 3.239 10 30 DGEERO CC[NH+](CC)CC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000462784577 243686808 /nfs/dbraw/zinc/68/68/08/243686808.db2.gz HMFWFADXNCVTOB-UHFFFAOYSA-N 1 0 306.841 3.165 10 30 DGEERO C=CCC[C@H](O)C[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000472743990 244312570 /nfs/dbraw/zinc/31/25/70/244312570.db2.gz CMCGOCPNXIQKPT-CVEARBPZSA-N 1 0 322.880 3.346 10 30 DGEERO N#Cc1ccc2ncc(C[NH2+]Cc3cc4ccccc4o3)n2c1 ZINC000123317476 284236095 /nfs/dbraw/zinc/23/60/95/284236095.db2.gz NSALVJVRYBXZLM-UHFFFAOYSA-N 1 0 302.337 3.242 10 30 DGEERO C=CC[NH2+][C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494204154 246119483 /nfs/dbraw/zinc/11/94/83/246119483.db2.gz HTHGBEWAMHVUDG-GOEBONIOSA-N 1 0 310.800 3.305 10 30 DGEERO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(C#N)s1)C2 ZINC000181680230 432140865 /nfs/dbraw/zinc/14/08/65/432140865.db2.gz CFFSFIKMDCQTAG-DGCLKSJQSA-N 1 0 314.410 3.283 10 30 DGEERO C[C@@H]([NH3+])c1ccc(N(CCC#N)C2CC2)c(Br)c1 ZINC000061697660 184183836 /nfs/dbraw/zinc/18/38/36/184183836.db2.gz KGYSRGUJUAMNGC-SNVBAGLBSA-N 1 0 308.223 3.351 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(-n2ccnn2)cc1 ZINC000119918637 195061964 /nfs/dbraw/zinc/06/19/64/195061964.db2.gz PROLBXLLWYTYRV-GFCCVEGCSA-N 1 0 309.398 3.051 10 30 DGEERO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000120043077 195086858 /nfs/dbraw/zinc/08/68/58/195086858.db2.gz JKAREFQJAXLUDA-HNNXBMFYSA-N 1 0 307.397 3.407 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H](C)c2cn[nH]c2)ccc1OC ZINC000270143525 208205061 /nfs/dbraw/zinc/20/50/61/208205061.db2.gz BJIQVVZATSIVPH-CYBMUJFWSA-N 1 0 301.390 3.224 10 30 DGEERO C[C@]1(CNc2cc(C#N)ccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000343026289 254088483 /nfs/dbraw/zinc/08/84/83/254088483.db2.gz NCJNSHHFCOVBOP-LJQANCHMSA-N 1 0 306.413 3.420 10 30 DGEERO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000184648164 533349612 /nfs/dbraw/zinc/34/96/12/533349612.db2.gz NBIFXIZHEZVBPK-LLVKDONJSA-N 1 0 305.809 3.318 10 30 DGEERO C[C@@H]([NH2+]CCCSCC#N)c1cccc(-n2ccnc2)c1 ZINC000180646715 533388611 /nfs/dbraw/zinc/38/86/11/533388611.db2.gz YIXYKRJRUISMFA-CQSZACIVSA-N 1 0 300.431 3.170 10 30 DGEERO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000182188179 533376229 /nfs/dbraw/zinc/37/62/29/533376229.db2.gz CMNIXRTTZJPXEO-CYBMUJFWSA-N 1 0 308.447 3.071 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000092510201 400178201 /nfs/dbraw/zinc/17/82/01/400178201.db2.gz NUHDCDKUABSZCV-KRWDZBQOSA-N 1 0 316.445 3.084 10 30 DGEERO N#Cc1ncccc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310258772 400133214 /nfs/dbraw/zinc/13/32/14/400133214.db2.gz PYWJMASMGWODBF-FGTMMUONSA-N 1 0 318.424 3.276 10 30 DGEERO C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754715 400138353 /nfs/dbraw/zinc/13/83/53/400138353.db2.gz WVRINGSMJIMJRR-SFHVURJKSA-N 1 0 324.424 3.165 10 30 DGEERO N#Cc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000609239358 400154145 /nfs/dbraw/zinc/15/41/45/400154145.db2.gz PMPRRJJAPLYCPV-HYXAFXHYSA-N 1 0 311.316 3.409 10 30 DGEERO Cn1ccnc1C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000610272826 400230726 /nfs/dbraw/zinc/23/07/26/400230726.db2.gz RJDKPIMDHFDZBF-LJQANCHMSA-N 1 0 316.408 3.365 10 30 DGEERO COc1cc(C)c(C[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000610583382 400277748 /nfs/dbraw/zinc/27/77/48/400277748.db2.gz UYDIYSLSSHXDRR-UHFFFAOYSA-N 1 0 314.360 3.313 10 30 DGEERO C=CCOc1ccccc1C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000610591653 400280034 /nfs/dbraw/zinc/28/00/34/400280034.db2.gz DYZXVEXKZZORAK-QFIPXVFZSA-N 1 0 315.438 3.279 10 30 DGEERO C=C(C)COc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000589739273 400325085 /nfs/dbraw/zinc/32/50/85/400325085.db2.gz MLDKEUJLLGDBOS-HNNXBMFYSA-N 1 0 317.433 3.105 10 30 DGEERO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1ccc(C#N)cc1F ZINC000611588177 400427788 /nfs/dbraw/zinc/42/77/88/400427788.db2.gz ZSGKELSRYSZVNU-AWEZNQCLSA-N 1 0 309.388 3.364 10 30 DGEERO COc1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1F ZINC000121565887 400456476 /nfs/dbraw/zinc/45/64/76/400456476.db2.gz ZWIKVRDBCUAAFQ-ZDUSSCGKSA-N 1 0 314.360 3.436 10 30 DGEERO CC(C)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000123275372 400467580 /nfs/dbraw/zinc/46/75/80/400467580.db2.gz HSKANJGUHXNFLQ-UHFFFAOYSA-N 1 0 304.397 3.273 10 30 DGEERO C=CCCCCC[NH+]1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603001999 400624557 /nfs/dbraw/zinc/62/45/57/400624557.db2.gz YOCAXMFKUCEJAW-UHFFFAOYSA-N 1 0 306.406 3.387 10 30 DGEERO C=CC[C@H](C)[C@H](C)[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592392818 400644035 /nfs/dbraw/zinc/64/40/35/400644035.db2.gz BKKMHAIYXSNPHI-GJZGRUSLSA-N 1 0 311.466 3.315 10 30 DGEERO C=CCCC[N@@H+](C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000077176952 400692259 /nfs/dbraw/zinc/69/22/59/400692259.db2.gz VDBVVJFFLWOXSJ-PKOBYXMFSA-N 1 0 303.446 3.340 10 30 DGEERO N#Cc1cc(Br)ccc1NCCC1CC[NH2+]CC1 ZINC000593233516 400797096 /nfs/dbraw/zinc/79/70/96/400797096.db2.gz UWVOCLVTTAIKPX-UHFFFAOYSA-N 1 0 308.223 3.122 10 30 DGEERO C=CCCCN(C)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000605949295 400888511 /nfs/dbraw/zinc/88/85/11/400888511.db2.gz ULFAPXMASDWBFQ-GOSISDBHSA-N 1 0 317.477 3.459 10 30 DGEERO C=CCCCN(C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000605878276 400886029 /nfs/dbraw/zinc/88/60/29/400886029.db2.gz IPXNNMPGSPNEKC-HOTGVXAUSA-N 1 0 309.498 3.351 10 30 DGEERO C=CCCC(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000633411292 400940291 /nfs/dbraw/zinc/94/02/91/400940291.db2.gz NAHXETBSWDRLQG-MRXNPFEDSA-N 1 0 307.482 3.249 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(CC)c2)CC1 ZINC000182008534 400890625 /nfs/dbraw/zinc/89/06/25/400890625.db2.gz AWSSEJVUGFYGCW-UHFFFAOYSA-N 1 0 301.434 3.329 10 30 DGEERO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)nc1 ZINC000619753559 400898448 /nfs/dbraw/zinc/89/84/48/400898448.db2.gz DJMLYJAHLPPNOL-ZWKOTPCHSA-N 1 0 310.445 3.090 10 30 DGEERO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000620304007 401050781 /nfs/dbraw/zinc/05/07/81/401050781.db2.gz MTDJQAYICZESDA-FGTMMUONSA-N 1 0 302.462 3.493 10 30 DGEERO N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(Cl)c1Cl ZINC000594430343 401066120 /nfs/dbraw/zinc/06/61/20/401066120.db2.gz ZUGJTXZELVAYMC-GFCCVEGCSA-N 1 0 314.216 3.021 10 30 DGEERO N#Cc1c(Cl)cccc1NCCC[NH2+]Cc1cccnc1 ZINC000063197200 401183508 /nfs/dbraw/zinc/18/35/08/401183508.db2.gz UVWTYWMXCSJTGN-UHFFFAOYSA-N 1 0 300.793 3.198 10 30 DGEERO C=CC[C@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000625701751 401186399 /nfs/dbraw/zinc/18/63/99/401186399.db2.gz CPBPGOVIFVKMAX-HOCLYGCPSA-N 1 0 309.837 3.116 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625942084 401262068 /nfs/dbraw/zinc/26/20/68/401262068.db2.gz JIFJNRSSZDJXFT-CYBMUJFWSA-N 1 0 303.406 3.035 10 30 DGEERO C=C(C)COCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000090450825 401266638 /nfs/dbraw/zinc/26/66/38/401266638.db2.gz ZGZXKRDIYQWULT-CYBMUJFWSA-N 1 0 320.824 3.164 10 30 DGEERO C=CCC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)c1ccccc1 ZINC000634708867 401338081 /nfs/dbraw/zinc/33/80/81/401338081.db2.gz AETFSXKSWCPALH-GBESFXJTSA-N 1 0 303.446 3.196 10 30 DGEERO C=CCC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)c1ccccc1 ZINC000634708868 401338256 /nfs/dbraw/zinc/33/82/56/401338256.db2.gz AETFSXKSWCPALH-QYZOEREBSA-N 1 0 303.446 3.196 10 30 DGEERO C=CCC[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000627003335 401432001 /nfs/dbraw/zinc/43/20/01/401432001.db2.gz MYUWZHGECQGUEZ-PVAVHDDUSA-N 1 0 301.434 3.134 10 30 DGEERO C=CCOc1c(Cl)cc(C[NH2+]C(C)(C)[C@@H](C)O)cc1OC ZINC000623477006 401527125 /nfs/dbraw/zinc/52/71/25/401527125.db2.gz YITGZNMKXBTKET-LLVKDONJSA-N 1 0 313.825 3.162 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000623494155 401531759 /nfs/dbraw/zinc/53/17/59/401531759.db2.gz DMNAVERQGGIQIB-HZPDHXFCSA-N 1 0 307.482 3.105 10 30 DGEERO C=CC(C)(C)CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000623342520 401495333 /nfs/dbraw/zinc/49/53/33/401495333.db2.gz DKOLMGRDTDGYDK-HNNXBMFYSA-N 1 0 319.449 3.318 10 30 DGEERO C=CC[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000623566092 401547618 /nfs/dbraw/zinc/54/76/18/401547618.db2.gz GHZGWKGZNZOUAB-SJLPKXTDSA-N 1 0 315.461 3.205 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C/C=C/C)C2)CC1 ZINC000623579162 401550331 /nfs/dbraw/zinc/55/03/31/401550331.db2.gz POQZFTJYASMXSN-BDUNBXCCSA-N 1 0 319.493 3.415 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C/C=C\C)C2)CC1 ZINC000623579163 401550460 /nfs/dbraw/zinc/55/04/60/401550460.db2.gz POQZFTJYASMXSN-CHYADLBTSA-N 1 0 319.493 3.415 10 30 DGEERO C=CC(C)(C)CC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000623593136 401552266 /nfs/dbraw/zinc/55/22/66/401552266.db2.gz VDQHYBMWRZTYEO-UHFFFAOYSA-N 1 0 315.866 3.435 10 30 DGEERO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000624264413 401645107 /nfs/dbraw/zinc/64/51/07/401645107.db2.gz ZSKMJWPNDRBDDS-IEBWSBKVSA-N 1 0 317.477 3.007 10 30 DGEERO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000624266772 401645244 /nfs/dbraw/zinc/64/52/44/401645244.db2.gz UYUUYDABQZJIRH-MOPGFXCFSA-N 1 0 317.477 3.007 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000633043612 401646562 /nfs/dbraw/zinc/64/65/62/401646562.db2.gz QFYJAIPMWUOHCH-HNNXBMFYSA-N 1 0 320.864 3.458 10 30 DGEERO C=CC[C@H](CC)NC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633206237 401660427 /nfs/dbraw/zinc/66/04/27/401660427.db2.gz DUHJIEVCAOBHJD-INIZCTEOSA-N 1 0 307.482 3.391 10 30 DGEERO C=C1CC(C)(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000633217660 401661983 /nfs/dbraw/zinc/66/19/83/401661983.db2.gz AXFLTFSJRREQFE-INIZCTEOSA-N 1 0 318.486 3.484 10 30 DGEERO C[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)c1ccc(C#N)cc1 ZINC000173817933 164708069 /nfs/dbraw/zinc/70/80/69/164708069.db2.gz PJTBDXHFXIPROZ-DYVFJYSZSA-N 1 0 305.381 3.335 10 30 DGEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(Br)cc1C#N ZINC000229255338 165392079 /nfs/dbraw/zinc/39/20/79/165392079.db2.gz PJNCWNJJJATWGN-ZDUSSCGKSA-N 1 0 310.239 3.130 10 30 DGEERO CC[N@H+](CCNc1ccc(C#N)cc1Br)C1CC1 ZINC000230343731 165396644 /nfs/dbraw/zinc/39/66/44/165396644.db2.gz LIMGDQBSDSEGIO-UHFFFAOYSA-N 1 0 308.223 3.217 10 30 DGEERO Cc1ccn(-c2ccccc2C[NH2+]Cc2cc(C#N)cs2)n1 ZINC000136406475 432154291 /nfs/dbraw/zinc/15/42/91/432154291.db2.gz UCFDNAKFGIKSPG-UHFFFAOYSA-N 1 0 308.410 3.404 10 30 DGEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(Br)cc1C#N ZINC000130462709 196084359 /nfs/dbraw/zinc/08/43/59/196084359.db2.gz STDCDERKFLARKP-CQSZACIVSA-N 1 0 322.250 3.241 10 30 DGEERO [NH2+]=C(NCc1cccc(-c2ccccn2)c1)NC1CCCCC1 ZINC000160784739 228249199 /nfs/dbraw/zinc/24/91/99/228249199.db2.gz QPXQKLSMCXTOPY-UHFFFAOYSA-N 1 0 308.429 3.486 10 30 DGEERO Cc1cc(C#N)ccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000161553080 228252711 /nfs/dbraw/zinc/25/27/11/228252711.db2.gz HKYVICLRGJVISL-SFHVURJKSA-N 1 0 313.445 3.107 10 30 DGEERO [NH2+]=C(NCc1nc2ccccc2n1C1CC1)NC1CCCCC1 ZINC000183837679 228376341 /nfs/dbraw/zinc/37/63/41/228376341.db2.gz NFHFLTKQJARDLZ-UHFFFAOYSA-N 1 0 311.433 3.108 10 30 DGEERO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000181506941 228362786 /nfs/dbraw/zinc/36/27/86/228362786.db2.gz FERZLMIDNNXEHS-HOTGVXAUSA-N 1 0 301.434 3.114 10 30 DGEERO O=C(C[C@@H]1CCCCNC1=O)NC1CC([NH+]2CCCCC2)C1 ZINC000329480406 228944935 /nfs/dbraw/zinc/94/49/35/228944935.db2.gz CYRSXGIENAMUKL-NFOMZHRRSA-N 1 0 307.438 3.107 10 30 DGEERO C[C@]1(CNc2cccc(C#N)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000302370939 230228145 /nfs/dbraw/zinc/22/81/45/230228145.db2.gz FDSCETCBCDKREM-LJQANCHMSA-N 1 0 306.413 3.420 10 30 DGEERO Cc1ccc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1C#N ZINC000302613381 230317879 /nfs/dbraw/zinc/31/78/79/230317879.db2.gz FJRQXNVIDGIPNV-QGZVFWFLSA-N 1 0 312.461 3.210 10 30 DGEERO C=Cc1ccc(CC[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000361139868 265650111 /nfs/dbraw/zinc/65/01/11/265650111.db2.gz GFOXADONQKIJSH-UHFFFAOYSA-N 1 0 302.381 3.181 10 30 DGEERO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358576454 266938643 /nfs/dbraw/zinc/93/86/43/266938643.db2.gz UDZXRZKXSZDXIS-UWVGGRQHSA-N 1 0 304.287 3.315 10 30 DGEERO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccncc2C#N)CC1 ZINC000372229955 267003022 /nfs/dbraw/zinc/00/30/22/267003022.db2.gz BVAXTOVQLRHDMX-HNNXBMFYSA-N 1 0 306.413 3.013 10 30 DGEERO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358591219 267184119 /nfs/dbraw/zinc/18/41/19/267184119.db2.gz OCVICLUJEXWHJS-YOEHRIQHSA-N 1 0 312.388 3.199 10 30 DGEERO Cc1cc(C#N)nc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000376205940 267316874 /nfs/dbraw/zinc/31/68/74/267316874.db2.gz UTXDDVFGSOWTSK-HNNXBMFYSA-N 1 0 321.428 3.294 10 30 DGEERO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358560550 267656038 /nfs/dbraw/zinc/65/60/38/267656038.db2.gz FCVHQPUUXMIZBQ-CYBMUJFWSA-N 1 0 300.381 3.333 10 30 DGEERO C=CCC[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000352074577 275424567 /nfs/dbraw/zinc/42/45/67/275424567.db2.gz NPPZUHHWKNQMLA-YESZJQIVSA-N 1 0 308.853 3.002 10 30 DGEERO CC#CC[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000369620796 275441360 /nfs/dbraw/zinc/44/13/60/275441360.db2.gz HIYUFKGTXMKWBW-MRXNPFEDSA-N 1 0 302.805 3.111 10 30 DGEERO N#CCC[C@@H](C#N)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000371613587 279480792 /nfs/dbraw/zinc/48/07/92/279480792.db2.gz LANOTUAQKNAQDR-ZWKOTPCHSA-N 1 0 302.466 3.018 10 30 DGEERO C=CCCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000076737834 431561863 /nfs/dbraw/zinc/56/18/63/431561863.db2.gz OZVBIODKITZPGG-LSDHHAIUSA-N 1 0 304.434 3.159 10 30 DGEERO CCn1cnnc1C1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118398609 431604053 /nfs/dbraw/zinc/60/40/53/431604053.db2.gz PXUMDLKHSHMUFL-CQSZACIVSA-N 1 0 309.417 3.110 10 30 DGEERO CC[C@@]1(C)CCN(C(NCc2nccc3ccccc32)=[NH+]C)C1 ZINC000261846561 280638817 /nfs/dbraw/zinc/63/88/17/280638817.db2.gz XLLMXBVLTNUUAI-IBGZPJMESA-N 1 0 310.445 3.432 10 30 DGEERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000122811320 431845430 /nfs/dbraw/zinc/84/54/30/431845430.db2.gz XBOWNIMRSVWFKB-HNNXBMFYSA-N 1 0 300.431 3.307 10 30 DGEERO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 ZINC000087116308 431850336 /nfs/dbraw/zinc/85/03/36/431850336.db2.gz GESGEZKWOJFSGP-AWEZNQCLSA-N 1 0 319.424 3.145 10 30 DGEERO C#CCSCC[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000123451924 431866025 /nfs/dbraw/zinc/86/60/25/431866025.db2.gz GZVFDGUPAAIOCY-UHFFFAOYSA-N 1 0 300.402 3.344 10 30 DGEERO C=CCOc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596927 431915703 /nfs/dbraw/zinc/91/57/03/431915703.db2.gz XKYLDWIGGVKUIL-GOSISDBHSA-N 1 0 300.446 3.169 10 30 DGEERO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1OC ZINC000124267301 431887572 /nfs/dbraw/zinc/88/75/72/431887572.db2.gz DBQVIYXTLKYSPQ-IRXDYDNUSA-N 1 0 319.445 3.291 10 30 DGEERO CN1CC[C@H]([NH2+]Cc2ccc(C#N)o2)[C@@H]1c1ccc(Cl)cc1 ZINC000125451997 431925769 /nfs/dbraw/zinc/92/57/69/431925769.db2.gz QEQMIFLLHIKCDQ-IRXDYDNUSA-N 1 0 315.804 3.340 10 30 DGEERO C=C[C@H](CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000126460451 431950412 /nfs/dbraw/zinc/95/04/12/431950412.db2.gz MRVUILWTQLCPQT-NUJGCVRESA-N 1 0 300.446 3.191 10 30 DGEERO N#Cc1ccsc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000052147658 431955032 /nfs/dbraw/zinc/95/50/32/431955032.db2.gz LNWLTIGPLLCRPL-UHFFFAOYSA-N 1 0 311.410 3.468 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248644282 432310546 /nfs/dbraw/zinc/31/05/46/432310546.db2.gz ZNNHHAPXAPVZDG-XYJFISCASA-N 1 0 300.446 3.225 10 30 DGEERO CO[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C ZINC000251944473 432373685 /nfs/dbraw/zinc/37/36/85/432373685.db2.gz UXGDBOMZDFKNET-CZUORRHYSA-N 1 0 311.347 3.414 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)c2c[nH]c3cc(F)ccc23)CC1 ZINC000192937910 432431275 /nfs/dbraw/zinc/43/12/75/432431275.db2.gz CZQYOMANACPKBH-UHFFFAOYSA-N 1 0 315.392 3.077 10 30 DGEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000193113235 432450284 /nfs/dbraw/zinc/45/02/84/432450284.db2.gz CTBPHKPHTSBESP-YGRLFVJLSA-N 1 0 313.854 3.107 10 30 DGEERO COCc1ccccc1NC(=[NH2+])N[C@H]1c2ccccc2O[C@@H]1C ZINC000262316944 432482102 /nfs/dbraw/zinc/48/21/02/432482102.db2.gz USGQYTXUNMWEAP-SJKOYZFVSA-N 1 0 311.385 3.082 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000186701794 432623933 /nfs/dbraw/zinc/62/39/33/432623933.db2.gz ZJEDGQGGFCANPN-MWLCHTKSSA-N 1 0 302.187 3.176 10 30 DGEERO C=CC[C@H](CO)[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000186708649 432624106 /nfs/dbraw/zinc/62/41/06/432624106.db2.gz UNBZHEUNOWTJMM-IOJLRTSASA-N 1 0 317.473 3.467 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000186699177 432624551 /nfs/dbraw/zinc/62/45/51/432624551.db2.gz NTXHWNOXOPCZCO-DOTOQJQBSA-N 1 0 313.445 3.385 10 30 DGEERO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1(CO)CC1 ZINC000186813264 432631896 /nfs/dbraw/zinc/63/18/96/432631896.db2.gz SYMICAJAEONLEH-UHFFFAOYSA-N 1 0 306.409 3.430 10 30 DGEERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000187954543 432694869 /nfs/dbraw/zinc/69/48/69/432694869.db2.gz WNPSRYVUCMTSRV-BEFAXECRSA-N 1 0 300.446 3.471 10 30 DGEERO C=CCC[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000188813980 432747250 /nfs/dbraw/zinc/74/72/50/432747250.db2.gz YVVCBSMPCJRTBQ-IBGZPJMESA-N 1 0 312.457 3.433 10 30 DGEERO C=C(C)C[C@H](C)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000188774609 432746170 /nfs/dbraw/zinc/74/61/70/432746170.db2.gz FVCJGGUEMUTOOB-AWEZNQCLSA-N 1 0 320.864 3.417 10 30 DGEERO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000245465412 432834454 /nfs/dbraw/zinc/83/44/54/432834454.db2.gz QDMGVMPYHTYGQZ-ATZDWAIDSA-N 1 0 324.428 3.447 10 30 DGEERO O=C(Cn1cc2ccccc2n1)NC1CC([NH+]2CCCCC2)C1 ZINC000330039957 432889899 /nfs/dbraw/zinc/88/98/99/432889899.db2.gz CHUXZKGYUIXJNO-UHFFFAOYSA-N 1 0 312.417 3.010 10 30 DGEERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000245568734 432846835 /nfs/dbraw/zinc/84/68/35/432846835.db2.gz VPMAEYIUDHOQNN-CVEARBPZSA-N 1 0 301.434 3.238 10 30 DGEERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C#N)c2C)[C@@H](C)C1 ZINC000245677310 432855053 /nfs/dbraw/zinc/85/50/53/432855053.db2.gz IGTIPYLAYHPDJA-GUYCJALGSA-N 1 0 314.433 3.061 10 30 DGEERO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000245694937 432857067 /nfs/dbraw/zinc/85/70/67/432857067.db2.gz CDNHPFREVVLPPQ-HNAYVOBHSA-N 1 0 323.396 3.026 10 30 DGEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(OCCCC#N)c1 ZINC000245719156 432858353 /nfs/dbraw/zinc/85/83/53/432858353.db2.gz HPIRVRHFFHETRI-AEFFLSMTSA-N 1 0 313.445 3.038 10 30 DGEERO C=CC[C@H](CO)[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000349826783 433016885 /nfs/dbraw/zinc/01/68/85/433016885.db2.gz AHOMDEYKFZECRN-ABAIWWIYSA-N 1 0 310.235 3.353 10 30 DGEERO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@]4(CC[NH2+]C4)C3)c2c1 ZINC000333468042 433058180 /nfs/dbraw/zinc/05/81/80/433058180.db2.gz CZKARMIVKVMRAA-HXUWFJFHSA-N 1 0 320.440 3.303 10 30 DGEERO C=CCC[C@@H](CO)[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453355478 433116263 /nfs/dbraw/zinc/11/62/63/433116263.db2.gz MHPOHUBBICXNDU-WFASDCNBSA-N 1 0 314.351 3.395 10 30 DGEERO C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036288 433353715 /nfs/dbraw/zinc/35/37/15/433353715.db2.gz XDXWOCVZDPGCBY-DYVFJYSZSA-N 1 0 303.425 3.468 10 30 DGEERO Cc1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)ccc1C#N ZINC000444004250 533692894 /nfs/dbraw/zinc/69/28/94/533692894.db2.gz QESVARHSJHUKAH-QGZVFWFLSA-N 1 0 308.381 3.186 10 30 DGEERO C=CC[C@@H](Cc1ccccc1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000413979566 433334197 /nfs/dbraw/zinc/33/41/97/433334197.db2.gz BMXVPHQUDVBKDN-INIZCTEOSA-N 1 0 309.413 3.065 10 30 DGEERO C=CCCCNC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000448000939 433340887 /nfs/dbraw/zinc/34/08/87/433340887.db2.gz RPYDCEWDBMFINZ-SFHVURJKSA-N 1 0 315.461 3.162 10 30 DGEERO C=CCCCNC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448254258 433379642 /nfs/dbraw/zinc/37/96/42/433379642.db2.gz CMZJVVNNRUJNEP-GOSISDBHSA-N 1 0 315.461 3.259 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1OC ZINC000375301796 433418063 /nfs/dbraw/zinc/41/80/63/433418063.db2.gz HZTDRHDOMWOJTD-LJQANCHMSA-N 1 0 317.429 3.263 10 30 DGEERO C=CCSc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000362388442 433682008 /nfs/dbraw/zinc/68/20/08/433682008.db2.gz HDDBXMADUPZEDN-AWEZNQCLSA-N 1 0 304.459 3.036 10 30 DGEERO Cc1cc(C#N)cc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000342504352 433731496 /nfs/dbraw/zinc/73/14/96/433731496.db2.gz DFIVGHJEEAYFDR-CRAIPNDOSA-N 1 0 306.413 3.337 10 30 DGEERO C[NH+](C)CCN(Cc1ccc(Cl)cc1)c1cccc(C#N)n1 ZINC000301851861 433758435 /nfs/dbraw/zinc/75/84/35/433758435.db2.gz PPXJLMUAZYPZMQ-UHFFFAOYSA-N 1 0 314.820 3.175 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000431633279 433812962 /nfs/dbraw/zinc/81/29/62/433812962.db2.gz BQUHMXCANNNLCA-ATZDWAIDSA-N 1 0 312.457 3.193 10 30 DGEERO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(SC)c2)CC1 ZINC000449844689 433834814 /nfs/dbraw/zinc/83/48/14/433834814.db2.gz MHXQIWCSKZCBTJ-UHFFFAOYSA-N 1 0 304.459 3.179 10 30 DGEERO C=CCOCCCC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000377188914 433850841 /nfs/dbraw/zinc/85/08/41/433850841.db2.gz NKSHIDGVCYOORJ-UHFFFAOYSA-N 1 0 300.402 3.086 10 30 DGEERO C=C(C)CC[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000352016758 433860813 /nfs/dbraw/zinc/86/08/13/433860813.db2.gz ZODLLKQGOLCTIV-ZDUSSCGKSA-N 1 0 306.372 3.075 10 30 DGEERO C=CCN1CCC([NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284558055 433897957 /nfs/dbraw/zinc/89/79/57/433897957.db2.gz YEJWNXIMDUBNJJ-CWFSZBLJSA-N 1 0 314.473 3.427 10 30 DGEERO C[N@@H+]1CCC[C@H](CNC(=O)CC(C)(C)C#N)[C@@H]1c1cccs1 ZINC000377461799 433886114 /nfs/dbraw/zinc/88/61/14/433886114.db2.gz BNCMIKUIRUGTRS-CZUORRHYSA-N 1 0 319.474 3.187 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@H]2NCCc3ccccc32)cc1 ZINC000414951383 433935004 /nfs/dbraw/zinc/93/50/04/433935004.db2.gz GQNNVKGEXDNIDK-HXUWFJFHSA-N 1 0 308.425 3.228 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc[nH]c1C1CC1)C(C)C ZINC000284429472 433893743 /nfs/dbraw/zinc/89/37/43/433893743.db2.gz SZCNZXRPHVWFLY-QGZVFWFLSA-N 1 0 315.461 3.321 10 30 DGEERO C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000363315504 434021683 /nfs/dbraw/zinc/02/16/83/434021683.db2.gz WKEYFSHYWGAXSY-ZDUSSCGKSA-N 1 0 318.383 3.218 10 30 DGEERO C=CC[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000377792172 433997655 /nfs/dbraw/zinc/99/76/55/433997655.db2.gz NFVOAIOUDXTYNO-UHFFFAOYSA-N 1 0 302.466 3.385 10 30 DGEERO C=C(C)COc1cc(C[NH2+][C@H]2CCOC2(C)C)ccc1OC ZINC000294706896 434127987 /nfs/dbraw/zinc/12/79/87/434127987.db2.gz DLBKIBIYZUCPOU-KRWDZBQOSA-N 1 0 305.418 3.307 10 30 DGEERO C=CCc1cc(C[NH2+]CCc2ncccc2C)cc(OC)c1O ZINC000294925860 434155373 /nfs/dbraw/zinc/15/53/73/434155373.db2.gz FWSRXQDRKHXBFR-UHFFFAOYSA-N 1 0 312.413 3.165 10 30 DGEERO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000357839414 434208884 /nfs/dbraw/zinc/20/88/84/434208884.db2.gz YFIYXMPCOBDNAW-CQSZACIVSA-N 1 0 303.425 3.470 10 30 DGEERO C=C(C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000378530776 434215919 /nfs/dbraw/zinc/21/59/19/434215919.db2.gz FSTKOLBRABPHAD-OAHLLOKOSA-N 1 0 316.449 3.294 10 30 DGEERO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328690213 434301045 /nfs/dbraw/zinc/30/10/45/434301045.db2.gz IIKSHQZZIVWUIQ-XGHPGWEVSA-N 1 0 318.465 3.444 10 30 DGEERO Cc1nc2c(cccc2C(=O)NC2CC([NH+]3CCCCC3)C2)[nH]1 ZINC000328719101 434301882 /nfs/dbraw/zinc/30/18/82/434301882.db2.gz VKRUEIMWQSJHLH-UHFFFAOYSA-N 1 0 312.417 3.193 10 30 DGEERO C[C@](C#N)(NC(=O)C[NH2+]C1C2CC3CC(C2)CC1C3)C1CC1 ZINC000328770012 434311288 /nfs/dbraw/zinc/31/12/88/434311288.db2.gz IVDHJVDNEACZBH-HUSMKEGRSA-N 1 0 301.434 3.049 10 30 DGEERO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328907519 434325477 /nfs/dbraw/zinc/32/54/77/434325477.db2.gz LNTRJZLLWVUZFS-WFTWPBCJSA-N 1 0 307.438 3.009 10 30 DGEERO C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000359252373 434415801 /nfs/dbraw/zinc/41/58/01/434415801.db2.gz LGCCZXVVCKZGOA-PMPSAXMXSA-N 1 0 317.481 3.041 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000287954757 434488674 /nfs/dbraw/zinc/48/86/74/434488674.db2.gz ICXRNPLCESNFNS-DOTOQJQBSA-N 1 0 303.450 3.285 10 30 DGEERO C=C[C@H](CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000367903460 434560717 /nfs/dbraw/zinc/56/07/17/434560717.db2.gz KYTAKKQYKSIQKM-BHIYHBOVSA-N 1 0 312.457 3.337 10 30 DGEERO Cc1nsc(N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)c1C#N ZINC000367349072 434544773 /nfs/dbraw/zinc/54/47/73/434544773.db2.gz RJFUWCPQHCEMIQ-ZDUSSCGKSA-N 1 0 316.474 3.024 10 30 DGEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000424062606 434612850 /nfs/dbraw/zinc/61/28/50/434612850.db2.gz HCVSZFUPBZANKC-ZANVPECISA-N 1 0 314.216 3.192 10 30 DGEERO C=CCC1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000418243971 434617539 /nfs/dbraw/zinc/61/75/39/434617539.db2.gz ALQYWMSDZNFWJK-XYPWUTKMSA-N 1 0 305.466 3.047 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000424294289 434680978 /nfs/dbraw/zinc/68/09/78/434680978.db2.gz KGUXCYLMWDKZEL-HUBLWGQQSA-N 1 0 309.381 3.085 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1 ZINC000424300650 434684654 /nfs/dbraw/zinc/68/46/54/434684654.db2.gz YIRUDRMVDSAAEM-ULQDDVLXSA-N 1 0 319.445 3.206 10 30 DGEERO C=CCCCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000372113034 434798270 /nfs/dbraw/zinc/79/82/70/434798270.db2.gz MVPYMLFJOBGNOP-UHFFFAOYSA-N 1 0 301.434 3.079 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000573229026 434884325 /nfs/dbraw/zinc/88/43/25/434884325.db2.gz OHAIVVOGIDOAFS-QRVBRYPASA-N 1 0 300.446 3.214 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000463029111 434940038 /nfs/dbraw/zinc/94/00/38/434940038.db2.gz NGXFROVDPDQFIY-OAQYLSRUSA-N 1 0 323.436 3.387 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527807060 435016198 /nfs/dbraw/zinc/01/61/98/435016198.db2.gz LUIQOMJKQSTJMA-GOSISDBHSA-N 1 0 300.446 3.358 10 30 DGEERO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000527911943 435017308 /nfs/dbraw/zinc/01/73/08/435017308.db2.gz UNNYDBNQYDZBDZ-QOKNQOGYSA-N 1 0 311.429 3.329 10 30 DGEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1OC)C(C)C ZINC000576016240 435054738 /nfs/dbraw/zinc/05/47/38/435054738.db2.gz OGGWCSAPDRRIEL-KSZLIROESA-N 1 0 322.493 3.006 10 30 DGEERO C=CCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000568881233 435480120 /nfs/dbraw/zinc/48/01/20/435480120.db2.gz PWBVYUUCKAUHNF-WMZOPIPTSA-N 1 0 319.493 3.391 10 30 DGEERO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411897 435518468 /nfs/dbraw/zinc/51/84/68/435518468.db2.gz RPZXQSFVGAYREH-IBGZPJMESA-N 1 0 318.436 3.214 10 30 DGEERO C=C(C)CN(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000484004983 435537893 /nfs/dbraw/zinc/53/78/93/435537893.db2.gz NUAKRHMZMUTKLZ-UHFFFAOYSA-N 1 0 315.461 3.390 10 30 DGEERO C=CCCC[C@H](C)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000540298264 435596472 /nfs/dbraw/zinc/59/64/72/435596472.db2.gz FZJFKHYBHIRJIL-LBPRGKRZSA-N 1 0 306.372 3.122 10 30 DGEERO C[N@@H+]1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000572831304 435873011 /nfs/dbraw/zinc/87/30/11/435873011.db2.gz JTQLDOZUMWLVHH-ZMSDIMECSA-N 1 0 316.474 3.164 10 30 DGEERO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(C#N)cc1F ZINC000543762314 314156979 /nfs/dbraw/zinc/15/69/79/314156979.db2.gz IZTXHPLYVSXIRV-JTQLQIEISA-N 1 0 304.287 3.317 10 30 DGEERO COc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1OC(F)F ZINC000185770869 533703206 /nfs/dbraw/zinc/70/32/06/533703206.db2.gz GTBLUGKTYYKDHR-AAEUAGOBSA-N 1 0 310.344 3.469 10 30 DGEERO COc1ccc([C@H](C)[NH2+]CCOc2ccccc2C#N)cc1F ZINC000182031246 323280651 /nfs/dbraw/zinc/28/06/51/323280651.db2.gz JCYVJBNBJQAWEG-ZDUSSCGKSA-N 1 0 314.360 3.436 10 30 DGEERO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000182304433 323291822 /nfs/dbraw/zinc/29/18/22/323291822.db2.gz FMCMFOSRMIQCIQ-CYBMUJFWSA-N 1 0 310.353 3.017 10 30 DGEERO CC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000185120309 323381611 /nfs/dbraw/zinc/38/16/11/323381611.db2.gz CZPGNVPCBLRZOK-AWEZNQCLSA-N 1 0 314.414 3.084 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000072670324 331669486 /nfs/dbraw/zinc/66/94/86/331669486.db2.gz XRPSFECQAJXZFL-MRXNPFEDSA-N 1 0 300.402 3.237 10 30 DGEERO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000072670299 331669627 /nfs/dbraw/zinc/66/96/27/331669627.db2.gz TVCQLMGTWXEZLX-KRWDZBQOSA-N 1 0 300.402 3.237 10 30 DGEERO C[C@H](c1cccc(F)c1)N1CC[NH+](CCCSCC#N)CC1 ZINC000159490321 332143482 /nfs/dbraw/zinc/14/34/82/332143482.db2.gz BFDUJNVDMCWPNQ-OAHLLOKOSA-N 1 0 321.465 3.151 10 30 DGEERO C=C[C@@H]1CCCCN1C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000582038547 333179725 /nfs/dbraw/zinc/17/97/25/333179725.db2.gz UPEZRAQXQXBXGR-QGZVFWFLSA-N 1 0 313.445 3.174 10 30 DGEERO C=CC[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000188385135 333365270 /nfs/dbraw/zinc/36/52/70/333365270.db2.gz YUGOFNLTZQWCTG-ZWKOTPCHSA-N 1 0 302.462 3.439 10 30 DGEERO CC[NH+]=C(N[C@H](C)c1ccc(C)o1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262452181 337618256 /nfs/dbraw/zinc/61/82/56/337618256.db2.gz WDONPIKIGNKGCU-OCVGTWLNSA-N 1 0 319.449 3.018 10 30 DGEERO C=CCCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000505011175 340158747 /nfs/dbraw/zinc/15/87/47/340158747.db2.gz RDGBJUUTPKCGHE-HNNXBMFYSA-N 1 0 301.434 3.269 10 30 DGEERO C=CC[C@@H]1N(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCCC1(C)C ZINC000529350363 340753258 /nfs/dbraw/zinc/75/32/58/340753258.db2.gz DFOKIBYPIQXDQY-GJZGRUSLSA-N 1 0 305.466 3.047 10 30 DGEERO N#CCC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000542907694 341025878 /nfs/dbraw/zinc/02/58/78/341025878.db2.gz JBPYPJBGUHQYJH-UHFFFAOYSA-N 1 0 311.429 3.048 10 30 DGEERO C=CCC[C@H](C)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000544599468 341087943 /nfs/dbraw/zinc/08/79/43/341087943.db2.gz FVBOGIMMVMYXBC-XJKSGUPXSA-N 1 0 314.408 3.343 10 30 DGEERO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000079253762 341255884 /nfs/dbraw/zinc/25/58/84/341255884.db2.gz NMJHAKIJENUARH-MRXNPFEDSA-N 1 0 303.450 3.115 10 30 DGEERO C#CCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156720862 341625592 /nfs/dbraw/zinc/62/55/92/341625592.db2.gz OFZUITUFCWXZTM-CVEARBPZSA-N 1 0 308.466 3.415 10 30 DGEERO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](Cc1ccc(F)cc1C)C(=O)NC ZINC000567856220 341637068 /nfs/dbraw/zinc/63/70/68/341637068.db2.gz FNEQSGMBGYJDRV-LXZKKBNFSA-N 1 0 320.452 3.229 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449235553 534317829 /nfs/dbraw/zinc/31/78/29/534317829.db2.gz GSBXOOHGZZWOKZ-LBPRGKRZSA-N 1 0 321.218 3.024 10 30 DGEERO C=CC[C@H](CO)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449211080 534397912 /nfs/dbraw/zinc/39/79/12/534397912.db2.gz WXQXUQVYBPMKRZ-NSHDSACASA-N 1 0 324.396 3.363 10 30 DGEERO C=C(CC)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494277498 534419979 /nfs/dbraw/zinc/41/99/79/534419979.db2.gz RNYJVHMLFMNMEC-GOEBONIOSA-N 1 0 310.800 3.307 10 30 DGEERO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](COC)CC2)c1C ZINC000452097784 534433288 /nfs/dbraw/zinc/43/32/88/534433288.db2.gz ZUXYUHYGICUKOD-KRWDZBQOSA-N 1 0 318.461 3.222 10 30 DGEERO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000449460890 534882111 /nfs/dbraw/zinc/88/21/11/534882111.db2.gz ODWZHPKGELNLBJ-OTWHNJEPSA-N 1 0 301.430 3.377 10 30 DGEERO C=CCN(Cc1ccccc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431770828 526352390 /nfs/dbraw/zinc/35/23/90/526352390.db2.gz GRLVZNNOBZXSFU-SFHVURJKSA-N 1 0 300.446 3.466 10 30 DGEERO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H](C)c1ccc(C)o1 ZINC000127811316 526388569 /nfs/dbraw/zinc/38/85/69/526388569.db2.gz HVSACDBGXLNMBN-NSHDSACASA-N 1 0 306.435 3.088 10 30 DGEERO C=C(C)CC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000351874374 526444140 /nfs/dbraw/zinc/44/41/40/526444140.db2.gz ITLKGALWUMJHOX-MRXNPFEDSA-N 1 0 302.418 3.373 10 30 DGEERO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000185315479 526706499 /nfs/dbraw/zinc/70/64/99/526706499.db2.gz ZHLPDWQMLJKRFC-INIZCTEOSA-N 1 0 313.445 3.051 10 30 DGEERO C=CCOc1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1 ZINC000433183537 526884441 /nfs/dbraw/zinc/88/44/41/526884441.db2.gz ULCQISHXBDTAAN-UHFFFAOYSA-N 1 0 301.430 3.284 10 30 DGEERO C=CCOc1ccccc1C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000354559463 526930733 /nfs/dbraw/zinc/93/07/33/526930733.db2.gz FKXYKRSNWLHBPH-IBGZPJMESA-N 1 0 303.446 3.482 10 30 DGEERO C=CCOc1ccccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000354008099 526932203 /nfs/dbraw/zinc/93/22/03/526932203.db2.gz BIXNYBGJBFXOJM-SFHVURJKSA-N 1 0 317.429 3.021 10 30 DGEERO C=CCOc1ccccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000430154170 526932826 /nfs/dbraw/zinc/93/28/26/526932826.db2.gz WQTGYGGADVRTFO-SFHVURJKSA-N 1 0 301.430 3.500 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000434783541 526949027 /nfs/dbraw/zinc/94/90/27/526949027.db2.gz JMNHGJNYCILLGN-GOSISDBHSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000434783542 526949163 /nfs/dbraw/zinc/94/91/63/526949163.db2.gz JMNHGJNYCILLGN-SFHVURJKSA-N 1 0 300.446 3.358 10 30 DGEERO C=CCC(C)(C)CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000432109869 527009132 /nfs/dbraw/zinc/00/91/32/527009132.db2.gz GVOGRPQRBSHSQE-UHFFFAOYSA-N 1 0 321.440 3.289 10 30 DGEERO C=CCSc1ccccc1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000348857522 527010493 /nfs/dbraw/zinc/01/04/93/527010493.db2.gz VXBYQJFWXJQYNH-CQSZACIVSA-N 1 0 306.475 3.425 10 30 DGEERO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000349147652 527034835 /nfs/dbraw/zinc/03/48/35/527034835.db2.gz IIVJSOZZYMAPSF-OLZOCXBDSA-N 1 0 302.418 3.436 10 30 DGEERO C=CCC1(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CCOCC1 ZINC000424653007 527053953 /nfs/dbraw/zinc/05/39/53/527053953.db2.gz GCQDWVDFJCXCEG-QGZVFWFLSA-N 1 0 324.509 3.232 10 30 DGEERO C=CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000184271332 527101374 /nfs/dbraw/zinc/10/13/74/527101374.db2.gz YKEYJRKOVTYVDS-ZDUSSCGKSA-N 1 0 313.825 3.164 10 30 DGEERO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348269113 527193880 /nfs/dbraw/zinc/19/38/80/527193880.db2.gz DNPPDGDVEXXBPV-AWEZNQCLSA-N 1 0 312.417 3.302 10 30 DGEERO C=CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1Cl ZINC000184267724 527209970 /nfs/dbraw/zinc/20/99/70/527209970.db2.gz HVLZTQIPRGFMMP-LLVKDONJSA-N 1 0 304.615 3.129 10 30 DGEERO C=CCCC[C@@H](C)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415966985 527267766 /nfs/dbraw/zinc/26/77/66/527267766.db2.gz CSYIQMRJUFVDTN-GFCCVEGCSA-N 1 0 305.397 3.338 10 30 DGEERO C=CCC[C@H]([NH2+][C@@H]1C[C@H](OCC)[C@@H]1n1cccn1)c1ccco1 ZINC000340532575 527488245 /nfs/dbraw/zinc/48/82/45/527488245.db2.gz KUBBHZWSGAQZAX-CIRFHOKZSA-N 1 0 315.417 3.492 10 30 DGEERO C=C[C@H]1CCCC[N@H+]1Cc1cccc(N(CC)CCOC)n1 ZINC000352355058 527605564 /nfs/dbraw/zinc/60/55/64/527605564.db2.gz ATSKQWGZHIMWEQ-KRWDZBQOSA-N 1 0 303.450 3.095 10 30 DGEERO CC(C)[C@H]1C[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCO1 ZINC000263112458 527862638 /nfs/dbraw/zinc/86/26/38/527862638.db2.gz LEXJTXJDWGTULE-KBXCAEBGSA-N 1 0 315.461 3.353 10 30 DGEERO CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358731884 528092342 /nfs/dbraw/zinc/09/23/42/528092342.db2.gz IJQPWHFHUJZWKU-UHFFFAOYSA-N 1 0 322.497 3.080 10 30 DGEERO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3sccc3C#N)ccc21 ZINC000456267336 536139544 /nfs/dbraw/zinc/13/95/44/536139544.db2.gz IROOPSVWFPXQNE-HNNXBMFYSA-N 1 0 311.410 3.421 10 30 DGEERO C=CCCC[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000180334162 546145103 /nfs/dbraw/zinc/14/51/03/546145103.db2.gz RXFXIIRBMHBAPH-RDJZCZTQSA-N 1 0 303.450 3.333 10 30 DGEERO C=CCCCN(C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000181299259 546155469 /nfs/dbraw/zinc/15/54/69/546155469.db2.gz WIPXRHJZCGRJHX-INIZCTEOSA-N 1 0 303.450 3.115 10 30 DGEERO C=CCOc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1OC ZINC000342819210 546559632 /nfs/dbraw/zinc/55/96/32/546559632.db2.gz AAUJIBBBBPUYSB-KRWDZBQOSA-N 1 0 319.445 3.387 10 30 DGEERO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000585159407 547025824 /nfs/dbraw/zinc/02/58/24/547025824.db2.gz NZKJOEAYACKSDF-ZNRGTERASA-N 1 0 323.440 3.253 10 30 DGEERO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nc1 ZINC000734365128 574658004 /nfs/dbraw/zinc/65/80/04/574658004.db2.gz CCYHSNLWVUNBMV-HNNXBMFYSA-N 1 0 309.417 3.095 10 30 DGEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(C#N)cc1Br ZINC000214288924 574807319 /nfs/dbraw/zinc/80/73/19/574807319.db2.gz WDJRZKNJQIBBAW-ZDUSSCGKSA-N 1 0 310.239 3.130 10 30 DGEERO CN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000741249159 574954212 /nfs/dbraw/zinc/95/42/12/574954212.db2.gz CTBNUFJEWXQHHB-AWEZNQCLSA-N 1 0 321.852 3.016 10 30 DGEERO COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1C#N ZINC000742370391 574992789 /nfs/dbraw/zinc/99/27/89/574992789.db2.gz QCAOPJQLWNNZIY-AWEZNQCLSA-N 1 0 321.380 3.320 10 30 DGEERO C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C(\C)c1ccccc1Cl ZINC000729812182 575263944 /nfs/dbraw/zinc/26/39/44/575263944.db2.gz OGJBEKCVIOGCTM-OKFGHLOFSA-N 1 0 317.816 3.384 10 30 DGEERO C=CCCC[N@@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000119021606 621608099 /nfs/dbraw/zinc/60/80/99/621608099.db2.gz JEINAQZSIKTLPJ-UHFFFAOYSA-N 1 0 301.386 3.378 10 30 DGEERO C=CCCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000119724687 621721372 /nfs/dbraw/zinc/72/13/72/621721372.db2.gz KRBUWVGCNICDKX-UHFFFAOYSA-N 1 0 300.362 3.314 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CSc2ccccc21 ZINC000121669609 622170781 /nfs/dbraw/zinc/17/07/81/622170781.db2.gz ZSXLIWQMEZREMC-GOEBONIOSA-N 1 0 317.454 3.153 10 30 DGEERO C#CCC[NH+]1CCN(Cc2cc(Cl)nc3ccccc23)CC1 ZINC000129520744 625672030 /nfs/dbraw/zinc/67/20/30/625672030.db2.gz PASVSDDUCXPPLJ-UHFFFAOYSA-N 1 0 313.832 3.029 10 30 DGEERO C=CCOc1ccccc1C[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000130398288 625845675 /nfs/dbraw/zinc/84/56/75/625845675.db2.gz RKESCAHGVXYKNE-GDBMZVCRSA-N 1 0 301.386 3.446 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCOc2ccccc2Cl)c1 ZINC000130797882 625904201 /nfs/dbraw/zinc/90/42/01/625904201.db2.gz IIUKSILLMKPHCA-UHFFFAOYSA-N 1 0 303.793 3.454 10 30 DGEERO CCc1cccc(NC(=[NH2+])NCc2cnn(-c3ccccc3)c2)c1 ZINC000104159170 627411348 /nfs/dbraw/zinc/41/13/48/627411348.db2.gz JTVFSOLQIDVVBG-UHFFFAOYSA-N 1 0 319.412 3.362 10 30 DGEERO C#CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000185303566 660214449 /nfs/dbraw/zinc/21/44/49/660214449.db2.gz ZWNKCRTVTNPRED-SFHVURJKSA-N 1 0 312.457 3.207 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000072916957 660228049 /nfs/dbraw/zinc/22/80/49/660228049.db2.gz TXICOTMXYGZWGC-KRWDZBQOSA-N 1 0 323.444 3.451 10 30 DGEERO C[C@@H]1[C@@H]([NH2+]CC(C)(C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC000700744623 660634487 /nfs/dbraw/zinc/63/44/87/660634487.db2.gz BPIGBJYTZQYHNJ-KGLIPLIRSA-N 1 0 309.454 3.304 10 30 DGEERO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000176201495 655743982 /nfs/dbraw/zinc/74/39/82/655743982.db2.gz SZZICIKNFQRVSH-ROUUACIJSA-N 1 0 321.428 3.205 10 30 DGEERO CCC1([NH3+])CCN(c2ccc(C#N)cc2Br)CC1 ZINC000714753107 661203480 /nfs/dbraw/zinc/20/34/80/661203480.db2.gz VPZGABWDUHVWKJ-UHFFFAOYSA-N 1 0 308.223 3.028 10 30 DGEERO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC12CC2 ZINC000715220840 661209319 /nfs/dbraw/zinc/20/93/19/661209319.db2.gz DMJLRNGZTVHBIF-AWEZNQCLSA-N 1 0 306.203 3.103 10 30 DGEERO C#CC[C@@H](COC)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000716936231 661234311 /nfs/dbraw/zinc/23/43/11/661234311.db2.gz RZJJENJLUAMXBL-NSHDSACASA-N 1 0 316.626 3.230 10 30 DGEERO C#CC[C@@H](COC)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000716967029 661236480 /nfs/dbraw/zinc/23/64/80/661236480.db2.gz ZQIZLBZJHUJMOF-SIWZUTFBSA-N 1 0 322.246 3.323 10 30 DGEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](SC)c1ccccc1 ZINC000178457425 656363634 /nfs/dbraw/zinc/36/36/34/656363634.db2.gz YUUPSAHOTKYEOI-DOTOQJQBSA-N 1 0 319.470 3.368 10 30 DGEERO Cc1cccc(NC(=[NH2+])NCCc2cnn(-c3ccccc3)c2)c1 ZINC000303781422 657562232 /nfs/dbraw/zinc/56/22/32/657562232.db2.gz MEKDMTPGDYCGMN-UHFFFAOYSA-N 1 0 319.412 3.150 10 30 DGEERO CN(CCCCNC(=[NH2+])NC1CCCCC1)c1ccccc1 ZINC000303867171 657568774 /nfs/dbraw/zinc/56/87/74/657568774.db2.gz CSLZZPSXCWDDHI-UHFFFAOYSA-N 1 0 302.466 3.140 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000303910429 657579021 /nfs/dbraw/zinc/57/90/21/657579021.db2.gz YWMXRFMVGBIAKM-QGZVFWFLSA-N 1 0 314.408 3.164 10 30 DGEERO CN(C)C(NCc1ccccc1)=[NH+]CCc1cc(F)ccc1F ZINC000304488446 657636059 /nfs/dbraw/zinc/63/60/59/657636059.db2.gz KVIPKIDFHMPTTF-UHFFFAOYSA-N 1 0 317.383 3.215 10 30 DGEERO CCOc1ccc(CNC(=[NH2+])Nc2ccc(OC)cc2)cc1F ZINC000304756868 657647272 /nfs/dbraw/zinc/64/72/72/657647272.db2.gz ODDWSTXGPMQMIM-UHFFFAOYSA-N 1 0 317.364 3.160 10 30 DGEERO CCc1cccc(CC)c1NC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000304752791 657647731 /nfs/dbraw/zinc/64/77/31/657647731.db2.gz KQERLYNZMUCCOS-UHFFFAOYSA-N 1 0 319.449 3.270 10 30 DGEERO Cc1cccc(NC(=[NH2+])NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000304757410 657648754 /nfs/dbraw/zinc/64/87/54/657648754.db2.gz OUXMMYSKOYSSLS-MRXNPFEDSA-N 1 0 310.445 3.242 10 30 DGEERO Cc1cc(C)cc(NC(=[NH2+])NCc2nc3c(cccc3C)[nH]2)c1 ZINC000305707242 657732064 /nfs/dbraw/zinc/73/20/64/657732064.db2.gz IJDLQVODFQNFRT-UHFFFAOYSA-N 1 0 307.401 3.415 10 30 DGEERO [NH2+]=C(NCCc1ccccc1OC(F)F)NC1CCCCC1 ZINC000305791106 658046030 /nfs/dbraw/zinc/04/60/30/658046030.db2.gz BEQFAGQVURZQJF-UHFFFAOYSA-N 1 0 311.376 3.068 10 30 DGEERO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccncc2OC)cc1 ZINC000189571942 658141010 /nfs/dbraw/zinc/14/10/10/658141010.db2.gz CPPDLKHKEQDROW-HNNXBMFYSA-N 1 0 310.397 3.343 10 30 DGEERO CCn1ccnc1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000263200209 658175774 /nfs/dbraw/zinc/17/57/74/658175774.db2.gz XCJYURQWHGARDJ-UHFFFAOYSA-N 1 0 311.433 3.357 10 30 DGEERO [NH2+]=C(NCc1cccc(C(F)(F)F)c1)N[C@@H]1CC12CCCC2 ZINC000263291075 658192902 /nfs/dbraw/zinc/19/29/02/658192902.db2.gz WLGCESVRXNDQRE-CYBMUJFWSA-N 1 0 311.351 3.442 10 30 DGEERO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(N2CCCC2=O)cc1 ZINC000174308882 659429089 /nfs/dbraw/zinc/42/90/89/659429089.db2.gz BMLSNKXALXLYJH-CYBMUJFWSA-N 1 0 309.369 3.129 10 30 DGEERO C[NH+]=C(NCc1nccn1CC(C)C)NC1C[C@H](C)C[C@H](C)C1 ZINC000089068178 659538504 /nfs/dbraw/zinc/53/85/04/659538504.db2.gz GQWLRNWFFACFLD-XYPWUTKMSA-N 1 0 319.497 3.029 10 30 DGEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1 ZINC000068825680 659965913 /nfs/dbraw/zinc/96/59/13/659965913.db2.gz SMEJASXBSBYAGT-SFHVURJKSA-N 1 0 312.369 3.316 10 30 DGEERO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184265157 660161063 /nfs/dbraw/zinc/16/10/63/660161063.db2.gz PBWJAFWZNWNPOU-CQSZACIVSA-N 1 0 320.824 3.150 10 30 DGEERO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000077456051 662027261 /nfs/dbraw/zinc/02/72/61/662027261.db2.gz PCPUTKKYZACWJU-LJQANCHMSA-N 1 0 317.477 3.313 10 30 DGEERO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000720200617 662306375 /nfs/dbraw/zinc/30/63/75/662306375.db2.gz JNMADWZQRCITEC-SNVBAGLBSA-N 1 0 311.223 3.224 10 30 DGEERO C#CCOc1ccccc1CN1CCO[C@@H](c2cccs2)C1 ZINC000092594422 662333057 /nfs/dbraw/zinc/33/30/57/662333057.db2.gz XVOPVQJUPYJPBL-QGZVFWFLSA-N 1 0 313.422 3.334 10 30 DGEERO CC[NH+](CC)CC#C[C@@H](C)OC(=O)/C=C/c1ccnc(Cl)c1 ZINC000092716140 662334814 /nfs/dbraw/zinc/33/48/14/662334814.db2.gz XOZMHHZRFNCNMZ-MYSGNRETSA-N 1 0 320.820 3.025 10 30 DGEERO C#CC[N@@H+](Cc1ccc(O[C@@H](C)C(=O)OC)cc1)C1CCCC1 ZINC000093819842 662360157 /nfs/dbraw/zinc/36/01/57/662360157.db2.gz FFEYDJMOXAZDEU-HNNXBMFYSA-N 1 0 315.413 3.005 10 30 DGEERO C=CCSCC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399094964 1176255189 /nfs/dbraw/zinc/25/51/89/1176255189.db2.gz XYNXQAKKWDSSJU-KGLIPLIRSA-N 1 0 314.495 3.283 10 30 DGEERO C#CC[N@H+](C)CCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000328041601 1176627058 /nfs/dbraw/zinc/62/70/58/1176627058.db2.gz XNCKHUOHTQXSCQ-UHFFFAOYSA-N 1 0 314.216 3.070 10 30 DGEERO C[NH+]1CCC(C)(CNc2cc(Br)ccc2C#N)CC1 ZINC000226354587 1178029220 /nfs/dbraw/zinc/02/92/20/1178029220.db2.gz MZYNPVHYFGFRMU-UHFFFAOYSA-N 1 0 322.250 3.465 10 30 DGEERO C=CCCCC[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401974112 1199427877 /nfs/dbraw/zinc/42/78/77/1199427877.db2.gz QTDBZCVLCLNVFM-QGZVFWFLSA-N 1 0 302.418 3.343 10 30 DGEERO C=CC[C@@H](CO)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000320197588 1199844962 /nfs/dbraw/zinc/84/49/62/1199844962.db2.gz CBXBFKBCNNKPDQ-CPCZMJQVSA-N 1 0 310.235 3.222 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](CO)CC(C)(C)C)cc1OC ZINC000121361120 1200209426 /nfs/dbraw/zinc/20/94/26/1200209426.db2.gz OKZMHMMZRDLNJW-HNNXBMFYSA-N 1 0 307.434 3.147 10 30 DGEERO C[NH+](C)CC(C)(C)CNc1cc(Br)ccc1C#N ZINC000123061498 1200272860 /nfs/dbraw/zinc/27/28/60/1200272860.db2.gz IABJAXGJYWCYRU-UHFFFAOYSA-N 1 0 310.239 3.320 10 30 DGEERO C[C@@H]1C[C@@H](Nc2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000123363779 1200277381 /nfs/dbraw/zinc/27/73/81/1200277381.db2.gz WEJNXBPHEGSLGJ-MFKMUULPSA-N 1 0 308.223 3.215 10 30 DGEERO C=CCOc1ccc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000128559452 1200771756 /nfs/dbraw/zinc/77/17/56/1200771756.db2.gz RUBXPNIVSRJKOA-ZIAGYGMSSA-N 1 0 305.418 3.306 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H](C)Cc2cc(C)n[nH]2)cc1OC ZINC000136762748 1201212862 /nfs/dbraw/zinc/21/28/62/1201212862.db2.gz LASHDEFLFUPDOV-CYBMUJFWSA-N 1 0 315.417 3.012 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC000153878736 1202596962 /nfs/dbraw/zinc/59/69/62/1202596962.db2.gz DLXZTLYSEBAESS-QGTPRVQTSA-N 1 0 317.429 3.163 10 30 DGEERO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1OC ZINC000157133460 1202601975 /nfs/dbraw/zinc/60/19/75/1202601975.db2.gz KFNVQVXABURKAD-WMZOPIPTSA-N 1 0 317.429 3.307 10 30 DGEERO C=CC[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000237136918 1202649794 /nfs/dbraw/zinc/64/97/94/1202649794.db2.gz MIDXWPZLHZXMDS-UHFFFAOYSA-N 1 0 302.374 3.155 10 30 DGEERO C=CCN1CCC([NH2+]Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000237799335 1202702265 /nfs/dbraw/zinc/70/22/65/1202702265.db2.gz BYGYYGPKFVGKTH-UHFFFAOYSA-N 1 0 310.445 3.125 10 30 DGEERO C=CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCC)C1)c1ccccc1 ZINC000275388788 1202843641 /nfs/dbraw/zinc/84/36/41/1202843641.db2.gz XKDGSMHEOUMMCI-SJLPKXTDSA-N 1 0 300.446 3.194 10 30 DGEERO